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Sample records for single oxygen atom

  1. Single Photon Double Ionization of Atomic Oxygen

    Science.gov (United States)

    Wickramarathna, Madhushani; Gorczyca, Thomas; Ballance, Connor; Stolte, Wayne

    2017-04-01

    Single photon double ionization cross sections are calculated using an R-matrix with pseudostates (RMPS) method which was recently applied by Gorczyca et al. for the double photoionization of helium. With the convergence of these theoretical calculations for the simple case of helium, we extend this methodology to consider the more complex case of oxygen double photoionization. We compare our calculated results with recent measurements at the Advanced Light Source, as well as earlier experimental measurements. Our RMPS results agree well, qualitatively, with the experimental measurements, but there exist outstanding discrepancies to be addressed. This project is supported by NASA APRA award NNX17AD41G.

  2. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    Science.gov (United States)

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; Barkholtz, Heather M.; Li, Yuping; Wang, Ying; Jiang, Luhua; Wu, Zhijian; Liu, Di-Jia; Zhuang, Lin; Ma, Chao; Zeng, Jie; Zhang, Bingsen; Su, Dangsheng; Song, Ping; Xing, Wei; Xu, Weilin; Wang, Ying; Jiang, Zheng; Sun, Gongquan

    2017-07-01

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm-2 at 80 °C with a low platinum loading of 0.09 mgPt cm-2, corresponding to a platinum utilization of 0.13 gPt kW-1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.

  3. Threshold behavior in single-photon double ionization of atomic oxygen

    Science.gov (United States)

    He, Z. X.; Moberg, R.; Samson, J. A. R.

    1995-12-01

    The threshold behavior of the single-photon double-ionization cross section of atomic oxygen has been studied using vacuum uv radiation from a synchrotron storage ring. The double-ionization cross section appears to follow a power law Eα (where E is the kinetic energy of the two electrons) from its threshold to about 2.0 eV above with an exponent α=1.08+/-0.03, which is consistent with Wannier's theoretical value of 1.056. The cross section also shows the influence of the doubly excited 2s2p3nln'l' (n,n'>~3) neutral states, among which the first three converge to the 2s2p3(5So)4p(6Po) ionic state of oxygen.

  4. Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells.

    Science.gov (United States)

    Wang, Xiao Xia; Cullen, David A; Pan, Yung-Tin; Hwang, Sooyeon; Wang, Maoyu; Feng, Zhenxing; Wang, Jingyun; Engelhard, Mark H; Zhang, Hanguang; He, Yanghua; Shao, Yuyan; Su, Dong; More, Karren L; Spendelow, Jacob S; Wu, Gang

    2018-03-01

    Due to the Fenton reaction, the presence of Fe and peroxide in electrodes generates free radicals causing serious degradation of the organic ionomer and the membrane. Pt-free and Fe-free cathode catalysts therefore are urgently needed for durable and inexpensive proton exchange membrane fuel cells (PEMFCs). Herein, a high-performance nitrogen-coordinated single Co atom catalyst is derived from Co-doped metal-organic frameworks (MOFs) through a one-step thermal activation. Aberration-corrected electron microscopy combined with X-ray absorption spectroscopy virtually verifies the CoN 4 coordination at an atomic level in the catalysts. Through investigating effects of Co doping contents and thermal activation temperature, an atomically Co site dispersed catalyst with optimal chemical and structural properties has achieved respectable activity and stability for the oxygen reduction reaction (ORR) in challenging acidic media (e.g., half-wave potential of 0.80 V vs reversible hydrogen electrode (RHE). The performance is comparable to Fe-based catalysts and 60 mV lower than Pt/C -60 μg Pt cm -2 ). Fuel cell tests confirm that catalyst activity and stability can translate to high-performance cathodes in PEMFCs. The remarkably enhanced ORR performance is attributed to the presence of well-dispersed CoN 4 active sites embedded in 3D porous MOF-derived carbon particles, omitting any inactive Co aggregates. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Atomic hydrogen and oxygen adsorptions in single-walled zigzag silicon nanotubes

    International Nuclear Information System (INIS)

    Chen, Haoliang; Ray, Asok K.

    2013-01-01

    Ab initio calculations have been performed to study the electronic and geometric structure properties of zigzag silicon nanotubes. Full geometry and spin optimizations have been performed without any symmetry constraints with an all electron 3-21G* basis set and the B3LYP hybrid functional. The largest zigzag SiNT studied here, (12, 0), has a binding energy per atom of 3.584 eV. Atomic hydrogen and oxygen adsorptions on (9, 0) and (10, 0) nanotubes have also been studied by optimizing the distances of the adatoms from both inside and outside the tube. The adatom is initially placed in four adsorption sites-parallel bridge (PB), zigzag bridge (ZB), hollow, and on-top site. The on-top site is the most preferred site for hydrogen atom adsorbed on (9, 0), with an adsorption energy of 3.0 eV and an optimized distance of 1.49 Å from the adatom to the nearest silicon atom. For oxygen adsorption on (9, 0), the most preferred site is the ZB site, with an adsorption energy of 5.987 eV and an optimized distance of 1.72 Å. For atomic hydrogen adsorption on (10, 0), the most preferred site is also the on-top site with an adsorption energy of 3.174 eV and an optimized distance of 1.49 Å. For adsorption of atomic oxygen on (10, 0), the most preferred site is PB site, with an adsorption energy of 6.306 eV and an optimized distance of 1.71 Å. The HOMO–LUMO gaps of (9, 0) after adsorptions of hydrogen and oxygen atoms decrease while the HOMO–LUMO gaps of (10, 0) increase after adsorption of hydrogen and oxygen

  6. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Atomic oxygen stimulated outgassing

    Science.gov (United States)

    Linton, Roger C.; Reynolds, John M.

    1991-01-01

    The passive Long Duration Exposure Facility (LDEF) Experiment A0034, Atomic Oxygen Simulated Outgassing, consisted of two identical one-sixth tray modules, exposing selected thermal control coatings to atomic oxygen and the combined space environment on the leading edge and, for reference, to the relative wake environment on the trailing edge. Optical mirrors were included adjacent to the thermal coatings for deposition of outgassing products. Ultraviolet grade windows and metal covers were provided for additional assessment of the effects of the various environmental factors. Preliminary results indicate that orbital atomic oxygen is both a degrading and a optically restorative factor in the thermo-optical properties of selected thermal coatings. There is evidence of more severe optical degradation on collector mirrors adjacent to coatings that were exposed to the RAM-impinging atomic oxygen. This evidence of atomic oxygen stimulated outgassing is discussed in relation to alternative factors that could affect degradation. The general effects of the space environment on the experiment hardware as well as the specimens are discussed.

  8. Single Molecule Atomic Force Microscopy Studies of Photosensitized Singlet Oxygen Behavior on a DNA Origami Template

    DEFF Research Database (Denmark)

    Helmig, Sarah Wendelboe; Rotaru, Alexandru; Arian, Dumitru

    2010-01-01

    DNA origami, the folding of a long single-stranded DNA sequence (scaffold strand) by hundreds of short synthetic oligonucleotides (staple strands) into parallel aligned helices, is a highly efficient method to form advanced self-assembled DNA-architectures. Since molecules and various materials can...... be conjugated to each of the short staple strands, the origami method offers a unique possibility of arranging molecules and materials in well-defined positions on a structured surface. Here we combine the action of light with AFM and DNA nanostructures to study the production of singlet oxygen from a single...

  9. Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hanguang; Hwang, Sooyeon; Wang, Maoyu; Feng, Zhenxing; Karakalos, Stavros; Luo, Langli; Qiao, Zhi; Xie, Xiaohong; Wang, Chongmin; Su, Dong; Shao, Yuyan; Wu, Gang (BNL); (Oregon State U.); (SC); (PNNL); (Buffalo)

    2017-09-26

    It remains a grand challenge to replace platinum group metal (PGM) catalysts with earth-abundant materials for the oxygen reduction reaction (ORR) in acidic media, which is crucial for large-scale deployment of proton exchange membrane fuel cells (PEMFCs). Here, we report a high-performance atomic Fe catalyst derived from chemically Fe-doped zeolitic imidazolate frameworks (ZIFs) by directly bonding Fe ions to imidazolate ligands within 3D frameworks. Although the ZIF was identified as a promising precursor, the new synthetic chemistry enables the creation of well-dispersed atomic Fe sites embedded into porous carbon without the formation of aggregates. The size of catalyst particles is tunable through synthesizing Fe-doped ZIF nanocrystal precursors in a wide range from 20 to 1000 nm followed by one-step thermal activation. Similar to Pt nanoparticles, the unique size control without altering chemical properties afforded by this approach is able to increase the number of PGM-free active sites. The best ORR activity is measured with the catalyst at a size of 50 nm. Further size reduction to 20 nm leads to significant particle agglomeration, thus decreasing the activity. Using the homogeneous atomic Fe model catalysts, we elucidated the active site formation process through correlating measured ORR activity with the change of chemical bonds in precursors during thermal activation up to 1100 °C. The critical temperature to form active sites is 800 °C, which is associated with a new Fe species with a reduced oxidation number (from Fe3+ to Fe2+) likely bonded with pyridinic N (FeN4) embedded into the carbon planes. Further increasing the temperature leads to continuously enhanced activity, linked to the rise of graphitic N and Fe–N species. The new atomic Fe catalyst has achieved respectable ORR activity in challenging acidic media (0.5 M H2SO4), showing a half-wave potential of 0.85 V vs RHE and leaving only a 30 mV gap with Pt/C (60 μgPt/cm2). Enhanced stability

  10. Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hanguang [Department; Hwang, Sooyeon [Center; Wang, Maoyu [School; Feng, Zhenxing [School; Karakalos, Stavros [Department; Luo, Langli [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Qiao, Zhi [Department; Xie, Xiaohong [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Wang, Chongmin [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Su, Dong [Center; Shao, Yuyan [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Wu, Gang [Department

    2017-09-26

    To significantly reduce the cost of proton exchange membrane (PEM) fuel cells, current Pt must be replaced by platinum-metal-group (PGM)-free catalysts for the oxygen reduction reaction (ORR) in acid. We report here a new class of high-performance atomic iron dispersed carbon catalysts through controlled chemical doping of iron ions into zinc-zeolitic imidazolate framework (ZIF), a type of metal-organic framework (MOF). The novel synthetic chemistry enables accurate size control of Fe-doped ZIF catalyst particles with a wide range from 20 to 1000 nm without changing chemical properties, which provides a great opportunity to increase the density of active sites that is determined by the particle size. We elucidated the active site formation mechanism by correlating the chemical and structural changes with thermal activation process for the conversion from Fe-N4 complex containing hydrocarbon networks in ZIF to highly active FeNx sites embedded into carbon. A temperature of 800oC was identified as the critical point to start forming pyridinic nitrogen doping at the edge of the graphitized carbon planes. Further increasing heating temperature to 1100oC leads to increase of graphitic nitrogen, generating possible synergistic effect with FeNx sites to promote ORR activity. The best performing catalyst, which has well-defined particle size around 50 nm and abundance of atomic FeNx sites embedded into carbon structures, achieve a new performance milestone for the ORR in acid including a half-wave potential of 0.85 V vs RHE and only 20 mV loss after 10,000 cycles in O2 saturated H2SO4 electrolyte. The new class PGM-free catalyst with approaching activity to Pt holds great promise for future PEM fuel cells.

  11. Single-Atom Au/NiFe Layered Double Hydroxide Electrocatalyst: Probing the Origin of Activity for Oxygen Evolution Reaction.

    Science.gov (United States)

    Zhang, Jingfang; Liu, Jieyu; Xi, Lifei; Yu, Yifu; Chen, Ning; Sun, Shuhui; Wang, Weichao; Lange, Kathrin M; Zhang, Bin

    2018-03-21

    A fundamental understanding of the origin of oxygen evolution reaction (OER) activity of transition-metal-based electrocatalysts, especially for single precious metal atoms supported on layered double hydroxides (LDHs), is highly required for the design of efficient electrocatalysts toward further energy conversion technologies. Here, we aim toward single-atom Au supported on NiFe LDH ( s Au/NiFe LDH) to clarify the activity origin of LDHs system and a 6-fold OER activity enhancement by 0.4 wt % s Au decoration. Combining with theoretical calculations, the active behavior of NiFe LDH results from the in situ generated NiFe oxyhydroxide from LDH during the OER process. With the presence of s Au, s Au/NiFe LDH possesses an overpotential of 0.21 V in contrast to the calculated result (0.18 V). We ascribe the excellent OER activity of s Au/NiFe LDH to the charge redistribution of active Fe as well as its surrounding atoms causing by the neighboring s Au on NiFe oxyhydroxide stabilized by interfacial CO 3 2- and H 2 O interfacing with LDH.

  12. Examining the rudimentary steps of the oxygen reduction reaction on single-atomic Pt using Ti-based non-oxide supports

    DEFF Research Database (Denmark)

    Tak, Young Joo; Yang, Sungeun; Lee, Hyunjoo

    2018-01-01

    In the attempt to reduce the high-cost and improve the overall durability of Pt-based electrocatalysts for the oxygen reduction reaction (ORR), density-functional theory (DFT) calculations have been performed to study the energetics of the elementary steps that occur during ORR on TiN(100)- and T...... of the single-atom Pt catalyst, and directly influences the rudimentary ORR steps on these single-atom platinized supports....

  13. A Single Atom Antenna

    International Nuclear Information System (INIS)

    Trinter, Florian; Williams, Joshua B; Weller, Miriam; Waitz, Markus; Pitzer, Martin; Voigtsberger, Jörg; Schober, Carl; Kastirke, Gregor; Müller, Christian; Goihl, Christoph; Burzynski, Phillip; Wiegandt, Florian; Wallauer, Robert; Kalinin, Anton; Schmidt, Lothar Ph H; Schöffler, Markus S; Jahnke, Till; Dörner, Reinhard; Chiang, Ying-Chih; Gokhberg, Kirill

    2015-01-01

    Here we demonstrate the smallest possible implementation of an antenna-receiver complex which consists of a single (helium) atom acting as the antenna and a second (neon) atom acting as a receiver. (paper)

  14. Formation and properties of metal–oxygen atomic chains

    NARCIS (Netherlands)

    Thijssen, W.H.A.; Strange, M.; aan de Brugh, J.M.J.; van Ruitenbeek, J.M.

    2008-01-01

    Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation of longer

  15. Attenuation of Scattered Thermal Energy Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Seroka, Katelyn T.; McPhate, Jason B.; Miller, Sharon K.

    2011-01-01

    The attenuation of scattered thermal energy atomic oxygen is relevant to the potential damage that can occur within a spacecraft which sweeps through atomic oxygen in low Earth orbit (LEO). Although there can be significant oxidation and resulting degradation of polymers and some metals on the external surfaces of spacecraft, there are often openings on a spacecraft such as telescope apertures, vents, and microwave cavities that can allow atomic oxygen to enter and scatter internally to the spacecraft. Atomic oxygen that enters a spacecraft can thermally accommodate and scatter to ultimately react or recombine on surfaces. The atomic oxygen that does enter a spacecraft can be scavenged by use of high erosion yield polymers to reduce its reaction on critical surfaces and materials. Polyoxymethylene and polyethylene can be used as effective atomic oxygen scavenging polymers.

  16. Single atom spintronics

    International Nuclear Information System (INIS)

    Sullivan, M. R.; Armstrong, J. N.; Hua, S. Z.; Chopra, H. D.

    2005-01-01

    Full text: Single atom spintronics (SASS) represents the ultimate physical limit in device miniaturization. SASS is characterized by ballistic electron transport, and is a fertile ground for exploring new phenomena. In addition to the 'stationary' (field independent) scattering centers that have a small and fixed contribution to total transmission probability of electron waves, domain walls constitute an additional and enhanced source of scattering in these magnetic quantum point contacts (QPCs), the latter being both field and spin-dependent. Through the measurement of complete hysteresis loops as a function of quantized conductance, we present definitive evidence of enhanced backscattering of electron waves by atomically sharp domain walls in QPCs formed between microfabricated thin films [1]. Since domain walls move in a magnetic field, the magnitude of spin-dependent scattering changes as the QPC is cycled along its hysteresis loop. For example, as shown in the inset in Fig. 1, from zero towards saturation in a given field direction, the resistance varies as the wall is being swept away, whereas the resistance is constant upon returning from saturation towards zero, since in this segment of the hysteresis loop no domain wall is present across the contact. The observed spin-valve like behavior is realized by control over wall width and shape anisotropy. This behavior also unmistakably sets itself apart from any mechanical artifacts; additionally, measurements made on single atom contacts provide an artifact-free environment [2]. Intuitively, it is simpler to organize the observed BMR data according to all possible transitions between different conductance plateaus, as shown by the dotted line in Fig. 1; the solid circles show experimental data for Co, which follows the predicted scheme. Requisite elements for the observation of the effect will be discussed in detail along with a review of state of research in this field. Practically, the challenge lies in making

  17. Single photon from a single trapped atom

    International Nuclear Information System (INIS)

    Dingjan, J.; Jones, M.P.A.; Beugnon, J.; Darquiee, B.; Bergamini, S.; Browaeys, A.; Messin, G.; Grangier, P.

    2005-01-01

    Full text: A quantum treatment of the interaction between atoms and light usually begins with the simplest model system: a two-level atom interacting with a monochromatic light wave. Here we demonstrate an elegant experimental realization of this system using an optically trapped single rubidium atom illuminated by resonant light pulses. We observe Rabi oscillations, and show that this system can be used as a highly efficient triggered source of single photons with a well-defined polarisation. In contrast to other sources based on neutral atoms and trapped ions, no optical cavity is required. We achieved a flux of single photons of about 10 4 s -1 at the detector, and observe complete antibunching. This source has potential applications for distributed atom-atom entanglement using single photons. (author)

  18. Formation and properties of metal-oxygen atomic chains

    DEFF Research Database (Denmark)

    Thijssen, W.H.A.; Strange, Mikkel; de Brugh, J.M.J.A.

    2008-01-01

    of longer atomic chains. The mechanical and electrical properties of these diatomic chains have been investigated by determining local vibration modes of the chain and by measuring the dependence of the average chain-conductance on the length of the chain. Additionally, we have performed calculations......Suspended chains consisting of single noble metal and oxygen atoms have been formed. We provide evidence that oxygen can react with and be incorporated into metallic one-dimensional atomic chains. Oxygen incorporation reinforces the linear bonds in the chain, which facilitates the creation...

  19. Atomic Oxygen Cleaning of Unpainted Plaster Sculptures

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.

    2017-01-01

    Atomic oxygen erosion of polymers has been found to be a threat to spacecraft in low Earth orbit. As a result ground facilities have been developed to identify coatings to protect polymers such as used for solar array blankets. As a result of extensive laboratory testing, it was discovered that soot and other organic contamination on paintings could be readily removed by atomic oxygen interactions with minimal damage to the artwork. No method, other than dusting, has been found to be effective in the cleaning of unpainted plaster sculptures This presentation discusses the atomic oxygen interaction processes and how effective they are for cleaning soot damaged unpainted plaster sculptures.

  20. ZIF-8 with Ferrocene Encapsulated: A Promising Precursor to Single-Atom Fe Embedded Nitrogen-Doped Carbon as Highly Efficient Catalyst for Oxygen Electroreduction.

    Science.gov (United States)

    Wang, Jinpeng; Han, Guokang; Wang, Liguang; Du, Lei; Chen, Guangyu; Gao, Yunzhi; Ma, Yulin; Du, Chunyu; Cheng, Xinqun; Zuo, Pengjian; Yin, Geping

    2018-03-05

    The oxygen reduction reaction (ORR) plays an important role in the fields of energy storage and conversion technologies, including metal-air batteries and fuel cells. The development of nonprecious metal electrocatalysts with both high ORR activity and durability to replace the currently used costly Pt-based catalyst is critical and still a major challenge. Herein, a facile and scalable method is reported to prepare ZIF-8 with single ferrocene molecules trapped within its cavities (Fc@ZIF-8), which is utilized as precursor to porous single-atom Fe embedded nitrogen-doped carbon (Fe-N-C) during high temperature pyrolysis. The catalyst shows a half-wave potential (E 1/2 ) of 0.904 V, 67 mV higher than commercial Pt/C catalyst (0.837 V), which is among the best compared with reported results for ORR. Significant electrochemical properties are attributed to the special configuration of Fc@ZIF-8 transforming into a highly dispersed iron-nitrogen coordination moieties embedded carbon matrix. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

    Science.gov (United States)

    Wang, Yu; Yuan, Hao; Li, Yafei; Chen, Zhongfang

    2015-07-01

    Searching for low-cost non-Pt catalysts for oxygen reduction reaction (ORR) has been a key scientific issue in the development of fuel cells. In this work, the potential of utilizing the experimentally available two-dimensional (2D) Fe-phthalocyanine (Fe-Pc) monolayer with precisely-controlled distribution of Fe atoms as a catalyst of ORR was systematically explored by means of comprehensive density functional theory computations. The computations revealed that O2 molecules can be sufficiently activated on the surface of the Fe-Pc monolayer, and the subsequent ORR steps prefer to proceed on the Fe-Pc monolayer through a more efficient 4e pathway with a considerable limiting potential of 0.68 V. Especially, the Fe-Pc monolayer is more stable than the Fe-Pc molecule in acidic medium, and can present good catalytic performance for ORR on the addition of axial ligands. Therefore, the Fe-Pc monolayer is quite a promising single-atom-catalyst with high efficiency for ORR in fuel cells.Searching for low-cost non-Pt catalysts for oxygen reduction reaction (ORR) has been a key scientific issue in the development of fuel cells. In this work, the potential of utilizing the experimentally available two-dimensional (2D) Fe-phthalocyanine (Fe-Pc) monolayer with precisely-controlled distribution of Fe atoms as a catalyst of ORR was systematically explored by means of comprehensive density functional theory computations. The computations revealed that O2 molecules can be sufficiently activated on the surface of the Fe-Pc monolayer, and the subsequent ORR steps prefer to proceed on the Fe-Pc monolayer through a more efficient 4e pathway with a considerable limiting potential of 0.68 V. Especially, the Fe-Pc monolayer is more stable than the Fe-Pc molecule in acidic medium, and can present good catalytic performance for ORR on the addition of axial ligands. Therefore, the Fe-Pc monolayer is quite a promising single-atom-catalyst with high efficiency for ORR in fuel cells. Electronic

  2. Hot oxygen atoms: Their generation and chemistry

    International Nuclear Information System (INIS)

    Ferrieri, R.A.; Chu, Yung Y.; Wolf, A.P.

    1987-01-01

    Oxygen atoms with energies between 1 and 10 eV have been produced through ion beam sputtering from metal oxide targets. Argon ion beams were used on Ta 2 O 5 and V 2 O 5 . Results show that some control may be exerted over the atom's kinetic energy by changing the target. Reactions of the hot O( 3 P) with cis- and trans-butenes were investigated

  3. Activation of surface lattice oxygen in single-atom Pt/CeO 2 for low-temperature CO oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Nie, Lei; Mei, Donghai; Xiong, Haifeng; Peng, Bo; Ren, Zhibo; Pereira Hernandez, Xavier I.; DelaRiva, Andrew; Wang, Meng; Engelhard, Mark H.; Kovarik, Libor; Datye, Abhaya K.; Wang, Yong

    2017-12-14

    While single-atom catalysts can provide high catalytic activity and selectivity, application in industrial catalysts demands long term performance and the ability to regenerate the catalysts. We have investigated the factors that lead to improved catalytic activity of a Pt/CeO2 catalyst for low temperature CO oxidation. Single-atom Pt/CeO2 becomes active for CO oxidation under lean condition only at elevated temperatures, because CO is strongly bound to ionic Pt sites. Reducing the catalyst, even under mild conditions, leads to onset of CO oxidation activity even at room temperature. This high activity state involves the transformation of mononuclear Pt species to sub-nanometer sized Pt particles. Under oxidizing conditions, the Pt can be restored to its stable, single-atom state. The key to facile regeneration is the ability to create mobile Pt species and suitable trapping sites on the support, making this a prototypical catalyst system for industrial application of single-atom catalysis.

  4. The Interaction between Graphene and Oxygen Atom

    Directory of Open Access Journals (Sweden)

    Hao Yifan

    2016-01-01

    Full Text Available Based on the density function theory (DFT method, the interaction between the graphene and oxygen atom is simulated by the B3LYP functional with the 6-31G basis set. Due to the symmetry of graphene (C54H18, D6h, a representative patch is put forward to represent the whole graphene to simplify the description. The representative patch on the surface is considered to gain the potential energy surface (PES. By the calculation of the PES, four possible stable isomers of the C54H18-O radical can be obtained. Meanwhile, the structures and energies of the four possible stable isomers, are further investigated thermodynamically, kinetically, and chemically. According to the transition states, the possible reaction mechanism between the graphene and oxygen atom is given.

  5. Magnetic remanence in single atoms.

    Science.gov (United States)

    Donati, F; Rusponi, S; Stepanow, S; Wäckerlin, C; Singha, A; Persichetti, L; Baltic, R; Diller, K; Patthey, F; Fernandes, E; Dreiser, J; Šljivančanin, Ž; Kummer, K; Nistor, C; Gambardella, P; Brune, H

    2016-04-15

    A permanent magnet retains a substantial fraction of its saturation magnetization in the absence of an external magnetic field. Realizing magnetic remanence in a single atom allows for storing and processing information in the smallest unit of matter. We show that individual holmium (Ho) atoms adsorbed on ultrathin MgO(100) layers on Ag(100) exhibit magnetic remanence up to a temperature of 30 kelvin and a relaxation time of 1500 seconds at 10 kelvin. This extraordinary stability is achieved by the realization of a symmetry-protected magnetic ground state and by decoupling the Ho spin from the underlying metal by a tunnel barrier. Copyright © 2016, American Association for the Advancement of Science.

  6. Atomic Configuration and Conductance of Tantalum Single-Atom Contacts and Single-Atom Wires

    Science.gov (United States)

    Kizuka, Tokushi; Murata, Satoshi

    2017-09-01

    The tensile deformation and successive fracture process of tantalum (Ta) nanocontacts (NCs) while applying various bias voltages was observed in situ by high-resolution transmission electron microscopy using a picometer-precision dual-goniometer nanotip manipulation technique. Simultaneously, the variation in the conductance of the contacts was measured. The NCs were thinned atom by atom during mechanical elongation, resulting in the formation of two types of single-atom cross-sectional contacts: single-atom contacts (SACs) and single-atom wires (SAWs), in which two electrodes, typically nanotips, are connected by a single shared atom or a one-line array of single atoms, respectively. When the bias voltage was 11 mV, Ta SACs were formed during tensile deformation; however, elongation of the single-atom cross-sectional part did not occur. In contrast, when the bias voltage was increased to 200 mV, Ta SACs were first formed during the tensile deformation, followed by elongation of the single-atom cross section up to a length of three atoms, i.e., the formation of SAWs. Thus, the present observation shows that Ta SAWs are stable even at such a high bias voltage. The conductance of the SACs was approximately 0.10G0 (G0 = 2e2/h, where e is the electron charge and h is Planck’s constant), whereas the conductance of the three-atom-long SAWs ranged from 0.01G0 to 0.22G0. Lower conductances were observed for linear SAWs, whereas higher conductances resulted from kinked SAWs.

  7. Electric field imaging of single atoms

    Science.gov (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi

    2017-01-01

    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629

  8. Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

    Science.gov (United States)

    Qi, Xuejun; Song, Wenwu; Shi, Jianwei

    2017-01-01

    Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

  9. Operation of the computer model for microenvironment atomic oxygen exposure

    Science.gov (United States)

    Bourassa, R. J.; Gillis, J. R.; Gruenbaum, P. E.

    1995-01-01

    A computer model for microenvironment atomic oxygen exposure has been developed to extend atomic oxygen modeling capability to include shadowing and reflections. The model uses average exposure conditions established by the direct exposure model and extends the application of these conditions to treat surfaces of arbitrary shape and orientation.

  10. Heralded single-photon absorption by a single atom

    Science.gov (United States)

    Piro, N.; Rohde, F.; Schuck, C.; Almendros, M.; Huwer, J.; Ghosh, J.; Haase, A.; Hennrich, M.; Dubin, F.; Eschner, J.

    2011-01-01

    Emission and absorption of single photons by single atoms is a fundamental limit of matter-light interaction, manifesting its quantum mechanical nature. As a controlled process, it is also a key tool in quantum optical information technology . Controlled single-photon emission is well advanced ; for controlled single-photon absorption by a single atom, proposals exist but only preliminary experimental steps have been taken . Here we report the absorption of single photons by a single trapped ion: employing a photon pair source, detection of the quantum-correlated partner photon heralds the presence of the resonant photon at the atom. We find clear correlations between the detection of the herald and the absorption process in the atom; we also demonstrate polarization control of this process. Our experiment evidences previously unexplored interaction between a single absorber and a quantum light source; with improved control over the coupling, it will open up new avenues in quantum technology.

  11. Kinetics and mechanisms of some atomic oxygen reactions

    Science.gov (United States)

    Cvetanovic, R. J.

    1987-01-01

    Mechanisms and kinetics of some reactions of the ground state of oxygen atoms, O(3P), are briefly summarized. Attention is given to reactions of oxygen atoms with several different types of organic and inorganic compounds such as alkanes, alkenes, alkynes, aromatics, and some oxygen, nitrogen, halogen and sulfur derivatives of these compounds. References to some recent compilations and critical evaluations of reaction rate constants are given.

  12. Single-Atom Catalysts of Precious Metals for Electrochemical Reactions.

    Science.gov (United States)

    Kim, Jiwhan; Kim, Hee-Eun; Lee, Hyunjoo

    2018-01-10

    Single-atom catalysts (SACs), in which metal atoms are dispersed on the support without forming nanoparticles, have been used for various heterogeneous reactions and most recently for electrochemical reactions. In this Minireview, recent examples of single-atom electrocatalysts used for the oxygen reduction reaction (ORR), hydrogen oxidation reaction (HOR), hydrogen evolution reaction (HER), formic acid oxidation reaction (FAOR), and methanol oxidation reaction (MOR) are introduced. Many density functional theory (DFT) simulations have predicted that SACs may be effective for CO 2 reduction to methane or methanol production while suppressing H 2 evolution, and those cases are introduced here as well. Single atoms, mainly Pt single atoms, have been deposited on TiN or TiC nanoparticles, defective graphene nanosheets, N-doped covalent triazine frameworks, graphitic carbon nitride, S-doped zeolite-templated carbon, and Sb-doped SnO 2 surfaces. Scanning transmission electron microscopy, extended X-ray absorption fine structure measurement, and in situ infrared spectroscopy have been used to detect the single-atom structure and confirm the absence of nanoparticles. SACs have shown high mass activity, minimizing the use of precious metal, and unique selectivity distinct from nanoparticle catalysts owing to the absence of ensemble sites. Additional features that SACs should possess for effective electrochemical applications were also suggested. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chengzhou [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Fu, Shaofang [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Song, Junhua [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Shi, Qiurong [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Su, Dong [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton NY 11973 USA; Engelhard, Mark H. [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Li, Xiaolin [Energy and Environmental Directory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Xiao, Dongdong [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Li, Dongsheng [Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Estevez, Luis [Energy and Environmental Directory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Du, Dan [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Lin, Yuehe [School of Mechanical and Materials Engineering, Washington State University, Pullman WA 99164 USA; Environmental Molecular Science Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA

    2017-02-06

    Finely controlled synthesis of high active and robust non-precious metal catalysts with excellent electrocatalytic efficiency towards oxygen reduction reaction is extremely vital for successful implementation of fuel cells and metal batteries. Unprecedented oxygen reduction reaction electrocatalytic performances and the diversified synthetic procedure in term of favorable structure/morphology characteristics make transition metals-derived M–N–C (M=Fe, Co) structures the most promising nanocatalysts. Herein, using the nitrogen-containing small molecular and inorganic salt as precursors and ultrathin tellurium nanowires as templates, we successfully synthesized a series of well-defined M-N-doped hollow carbon nanowire aerogels through one step hydrothermal route and subsequent facile annealing treatment. Taking advantage of the porous nanostructures, one-dimensional building block as well as homogeneity of active sites, the resultant Fe-N-doped carbon hollow nanowire aerogels exhibited excellent ORR electrocatalytic performance even better than commercial Pt/C in alkaline solution, holding great potential in fuel cell applications.

  14. Atom interaction propensities of oxygenated chemical functions in crystal packings

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2017-03-01

    Full Text Available The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enrichment descriptor. The systematic large enrichment ratios of some interactions like the O—H...O hydrogen bonds suggests that these contacts are a driving force in the crystal packing formation. The same statement holds for the weaker C—H...O hydrogen bonds in ethers, esters and ketones, in the absence of polar H atoms. The over-represented contacts in crystals of oxygenated hydrocarbons are generally of two types: electrostatic attractions (hydrogen bonds and hydrophobic interactions. While Cl...O interactions are generally avoided, in a minority of chloro-oxygenated hydrocarbons, significant halogen bonding does occur. General tendencies can often be derived for many contact types, but outlier compounds are instructive as they display peculiar or rare features. The methodology also allows the detection of outliers which can be structures with errors. For instance, a significant number of hydroxylated molecules displaying over-represented non-favorable oxygen–oxygen contacts turned out to have wrongly oriented hydroxyl groups. Beyond crystal packings with a single molecule in the asymmetric unit, the behavior of water in monohydrate compounds and of crystals with Z′ = 2 (dimers are also investigated. It was found in several cases that, in the presence of several oxygenated chemical groups, cross-interactions between different chemical groups (e.g. water/alcohols; alcohols/phenols are often favored in the crystal packings. While some trends in accordance with common chemical principles are retrieved, some unexpected results can however appear. For example, in crystals of alcohol–phenol compounds, the strong O—H...O hydrogen bonds between

  15. Introduction to simulation of upper atmosphere oxygen satellite exposed to atomic oxygen in low Earth orbit

    Science.gov (United States)

    Peplinski, D. R.; Arnold, G. S.; Borson, E. N.

    1984-01-01

    A brief review of atmospheric composition in low Earth orbit is presented. The flux of ambient atomic oxygen incident on a surface orbiting in this environment is described. Estimates are presented of the fluence of atomic oxygen to which satellite surfaces in various orbits are exposed.

  16. Proposed reference models for atomic oxygen in the terrestrial atmosphere

    Science.gov (United States)

    Llewellyn, E. J.; Mcdade, I. C.; Lockerbie, M. D.

    1989-01-01

    A provisional Atomic Oxygen Reference model was derived from average monthly ozone profiles and the MSIS-86 reference model atmosphere. The concentrations are presented in tabular form for the altitude range 40 to 130 km.

  17. Reactivity of amino acid anions with nitrogen and oxygen atoms.

    Science.gov (United States)

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M

    2018-02-14

    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  18. Reaction mechanism of oxygen atoms with unsaturated hydrocarbons by the crossed molecular beams method

    Energy Technology Data Exchange (ETDEWEB)

    Buss, R.J.; Baseman, R.J.; Guozhong, H.; Lee, Y.T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  19. Reaction Mechanism of Oxygen Atoms with Unsaturated Hydrocarbons by the Crossed-Molecular-Beams Method

    Science.gov (United States)

    Buss, R. J.; Baseman, R. J.; Guozhong, H.; Lee, Y. T.

    1982-04-01

    From a series of studies of the reaction of oxygen atoms with unsaturated hydrocarbons using the crossed molecular beam method, the dominant reaction mechanisms were found to be the simple substitution reactions with oxygen atoms replacing H, Cl, Br atom or alkyl groups. Complication due to secondary reaction was avoided by carrying out experiments under single collisions and observing primary products directly. Primary products were identified by measuring the angular and velocity distributions of products at all the mass numbers which could be detected by the mass spectrometer, and from comparison of these distributions, applying the requirement of energy and momentum conservation.

  20. Angular distribution of photoelectrons from atomic oxygen, nitrogen, and carbon

    Science.gov (United States)

    Manson, S. T.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distribution of photoelectrons from atomic oxygen is investigated using Hartree-Fock (HF) wave functions. The correct formulation is used to compare HS and HF results. Agreement between these results is good and the HS calculations have been extended to atomic nitrogen and carbon as well.

  1. Single Atoms in Nearly Concentric Cavity

    Science.gov (United States)

    Utama, Adrian Nugraha; Nguyen, Chi Huan; Lewty, Nick; Kurtsiefer, Christian; Quantum Optics Group Team

    2017-04-01

    Strong interaction between photons and neutral single atoms are usually observed in cavity quantum electrodynamics (CQED) systems with high finesse mirrors and small physical volume. We demonstrate another approach that employs a near concentric cavity with relatively low finesse mirrors ( 100) and large physical separation between mirrors ( 10 mm). The transmission spectrum of our CQED system with trapped single atoms is observed to exhibit two resolved normal mode peaks, in which the single atom cooperativity is estimated to be around 0.4. The cooperativity of the system can be improved further by increasing the finesse of the mirrors or moving the cavity closer to the concentric point. The successful realization of concentric CQED systems will open opportunities for scaling up with applications in quantum computing. This work is supported by the National Research Foundation and Ministry of Education, Singapore.

  2. Monte Carlo Computational Modeling of Atomic Oxygen Interactions

    Science.gov (United States)

    Banks, Bruce A.; Stueber, Thomas J.; Miller, Sharon K.; De Groh, Kim K.

    2017-01-01

    Computational modeling of the erosion of polymers caused by atomic oxygen in low Earth orbit (LEO) is useful for determining areas of concern for spacecraft environment durability. Successful modeling requires that the characteristics of the environment such as atomic oxygen energy distribution, flux, and angular distribution be properly represented in the model. Thus whether the atomic oxygen is arriving normal to or inclined to a surface and whether it arrives in a consistent direction or is sweeping across the surface such as in the case of polymeric solar array blankets is important to determine durability. When atomic oxygen impacts a polymer surface it can react removing a certain volume per incident atom (called the erosion yield), recombine, or be ejected as an active oxygen atom to potentially either react with other polymer atoms or exit into space. Scattered atoms can also have a lower energy as a result of partial or total thermal accommodation. Many solutions to polymer durability in LEO involve protective thin films of metal oxides such as SiO2 to prevent atomic oxygen erosion. Such protective films also have their own interaction characteristics. A Monte Carlo computational model has been developed which takes into account the various types of atomic oxygen arrival and how it reacts with a representative polymer (polyimide Kapton H) and how it reacts at defect sites in an oxide protective coating, such as SiO2 on that polymer. Although this model was initially intended to determine atomic oxygen erosion behavior at defect sites for the International Space Station solar arrays, it has been used to predict atomic oxygen erosion or oxidation behavior on many other spacecraft components including erosion of polymeric joints, durability of solar array blanket box covers, and scattering of atomic oxygen into telescopes and microwave cavities where oxidation of critical component surfaces can take place. The computational model is a two dimensional model

  3. Detection of atomic oxygen in flames by absorption spectroscopy

    International Nuclear Information System (INIS)

    Cheskis, S.; Kovalenko, S.A.

    1994-01-01

    The absolute concentration of atomic oxygen in an atmospheric pressure hydrogen/air flame has been measured using Intracavity Laser Spectroscopy (ICLS) based on a dye laser pumped by an argon-ion laser. Absorptions at the highly forbidden transitions at 630.030 nm and 636.380 nm were observed at an equivalent optical length of up to 10 km. The relatively low intensity of the dye laser avoids photochemical interferences that are inherent to some other methods for detecting atomic oxygen. The detection sensitivity is about 6x10 14 atom/cm 3 and can be improved with better flame and laser stabilization. (orig.)

  4. Vibration spectra of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Bourahla, B; Khater, A; Rafil, O; Tigrine, R

    2006-01-01

    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy

  5. Nano-soldering to single atomic layer

    Science.gov (United States)

    Girit, Caglar O [Berkeley, CA; Zettl, Alexander K [Kensington, CA

    2011-10-11

    A simple technique to solder submicron sized, ohmic contacts to nanostructures has been disclosed. The technique has several advantages over standard electron beam lithography methods, which are complex, costly, and can contaminate samples. To demonstrate the soldering technique graphene, a single atomic layer of carbon, has been contacted, and low- and high-field electronic transport properties have been measured.

  6. LDEF experiment A0034: Atomic oxygen stimulated outgassing

    Science.gov (United States)

    Linton, Roger C.; Kamenetzky, Rachel R.; Reynolds, John M.; Burris, Charles L.

    1992-01-01

    The passive Long Duration Exposure Facility (LDEF) Experiment A0034, 'Atomic Oxygen Stimulated Outgassing', consisted of two identical one-sixth tray modules, exposing selected thermal control coatings to atomic oxygen and the combined space environment on the leading edge, and for reference, to the relative 'wake' environment of the trailing edge. Optical mirrors were included adjacent to the thermal coatings for deposition of the outgassing products. Ultraviolet grade windows and metal covers were provided for additional assessment of the effects of various environmental factors. Preliminary results indicate that orbital atomic oxygen is both a degrading and optically restorative factor in the thermo-optical properties of selected thermal coatings. There is evidence of more severe optical degradation on collector mirrors adjacent to coatings that were exposed to RAM-impinging atomic oxygen. This evidence of atomic oxygen stimulated outgassing is discussed in relation to alternative factors that could affect degradation. The general effects of the space environment on the experiment hardware as well as the specimens are discussed.

  7. Cleaning of Fire Damaged Watercolor and Textiles Using Atomic Oxygen

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Chichernea, Virgil A.; Haytas, Christy A.

    2000-01-01

    A noncontact technique is described that uses atomic oxygen generated under low pressure in the presence of nitrogen to remove soot from the surface of a test watercolor panel and strips of cotton, wool and silk. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of soot removal from test panels of six basic watercolors (alizarin crimson, burnt sienna, lemon yellow, yellow ochre, cerulean blue and ultramarine blue) and strips of colored cotton, wool and silk was measured using reflectance spectroscopy. The atomic oxygen removed soot effectively from the treated areas and enabled partial recovery of charred watercolors. However, overexposure can result in removal of sizing, bleaching, and weakening of the structure. With the proper precautions, atomic oxygen treatment appears to have great potential to salvage heavily smoke damaged artworks which were previously considered unrestorable.

  8. Atomically flat single terminated oxide substrate surfaces

    Science.gov (United States)

    Biswas, Abhijit; Yang, Chan-Ho; Ramesh, Ramamoorthy; Jeong, Yoon H.

    2017-05-01

    Scientific interest in atomically controlled layer-by-layer fabrication of transition metal oxide thin films and heterostructures has increased intensely in recent decades for basic physics reasons as well as for technological applications. This trend has to do, in part, with the coming post-Moore era, and functional oxide electronics could be regarded as a viable alternative for the current semiconductor electronics. Furthermore, the interface of transition metal oxides is exposing many new emergent phenomena and is increasingly becoming a playground for testing new ideas in condensed matter physics. To achieve high quality epitaxial thin films and heterostructures of transition metal oxides with atomically controlled interfaces, one critical requirement is the use of atomically flat single terminated oxide substrates since the atomic arrangements and the reaction chemistry of the topmost surface layer of substrates determine the growth and consequent properties of the overlying films. Achieving the atomically flat and chemically single terminated surface state of commercially available substrates, however, requires judicious efforts because the surface of as-received substrates is of chemically mixed nature and also often polar. In this review, we summarize the surface treatment procedures to accomplish atomically flat surfaces with single terminating layer for various metal oxide substrates. We particularly focus on the substrates with lattice constant ranging from 4.00 Å to 3.70 Å, as the lattice constant of most perovskite materials falls into this range. For materials outside the range, one can utilize the substrates to induce compressive or tensile strain on the films and explore new states not available in bulk. The substrates covered in this review, which have been chosen with commercial availability and, most importantly, experimental practicality as a criterion, are KTaO3, REScO3 (RE = Rare-earth elements), SrTiO3, La0.18Sr0.82Al0.59Ta0.41O3 (LSAT), Nd

  9. Mechanism of single atom switch on silicon

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Stokbro, Kurt; Thirstrup, C.

    1998-01-01

    We demonstrate single atom switch on silicon which operates by displacement of a hydrogen atom on the silicon (100) surface at room temperature. We find two principal effects by which the switch is controlled: a pronounced maximum of the switching probability as function of sample bias...... and a preferred direction of switching as function of STM tip position. Based on first principles calculations, are show that this behaviour is due to a novel mechanism involving an electronic excitation of a localized surface resonance. (C) 1998 Elsevier Science B.V. All rights reserved....

  10. Single-Atom Catalyst of Platinum Supported on Titanium Nitride for Selective Electrochemical Reactions.

    Science.gov (United States)

    Yang, Sungeun; Kim, Jiwhan; Tak, Young Joo; Soon, Aloysius; Lee, Hyunjoo

    2016-02-05

    As a catalyst, single-atom platinum may provide an ideal structure for platinum minimization. Herein, a single-atom catalyst of platinum supported on titanium nitride nanoparticles were successfully prepared with the aid of chlorine ligands. Unlike platinum nanoparticles, the single-atom active sites predominantly produced hydrogen peroxide in the electrochemical oxygen reduction with the highest mass activity reported so far. The electrocatalytic oxidation of small organic molecules, such as formic acid and methanol, also exhibited unique selectivity on the single-atom platinum catalyst. A lack of platinum ensemble sites changed the reaction pathway for the oxygen-reduction reaction toward a two-electron pathway and formic acid oxidation toward direct dehydrogenation, and also induced no activity for the methanol oxidation. This work demonstrates that single-atom platinum can be an efficient electrocatalyst with high mass activity and unique selectivity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Atomic Oxygen Erosion Yield Dependence Upon Texture Development in Polymers

    Science.gov (United States)

    Banks, Bruce A.; Loftus, Ryan J.; Miller, Sharon K.

    2016-01-01

    The atomic oxygen erosion yield (volume of a polymer that is lost due to oxidation per incident atom) of polymers is typically assumed to be reasonably constant with increasing fluence. However polymers containing ash or inorganic pigments, tend to have erosion yields that decrease with fluence due to an increasing presence of protective particles on the polymer surface. This paper investigates two additional possible causes for erosion yields of polymers that are dependent upon atomic oxygen. These are the development of surface texture which can cause the erosion yield to change with fluence due to changes in the aspect ratio of the surface texture that develops and polymer specific atomic oxygen interaction parameters. The surface texture development under directed hyperthermal attack produces higher aspect ratio surface texture than isotropic thermal energy atomic oxygen attack. The fluence dependence of erosion yields is documented for low Kapton H (DuPont, Wilmington, DE) effective fluences for a variety of polymers under directed hyperthermal and isotropic thermal energy attack.

  12. Vibration dynamics of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Khater, A; Bourahla, B; Tigrine, R

    2007-01-01

    The motivation for this work is to introduce a model for an atomic nanocontact, whereby its mechanical properties can be analysed via the local spectra. The model system consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. We calculate the vibration spectra and the local densities of vibration states, in the harmonic approximation, for the irreducible set of sites that constitute the nanocontact domain. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the domain. We have also calculated the phonon scattering and coherent conductance at the nanocontact, derived in a Landauer-Buettiker matrix approach. The analysis of the spectra, of the densities of vibration states, and of the phonon conductance, identifies characteristic features and demonstrates the central role of a core subset of sites in the nanocontact domain

  13. Engineering Single-Atom Cobalt Catalysts toward Improved Electrocatalysis.

    Science.gov (United States)

    Wan, Gang; Yu, Pengfei; Chen, Hangrong; Wen, Jianguo; Sun, Cheng-Jun; Zhou, Hua; Zhang, Nian; Li, Qianru; Zhao, Wanpeng; Xie, Bing; Li, Tao; Shi, Jianlin

    2018-04-01

    The development of cost-effective catalysts to replace noble metal is attracting increasing interests in many fields of catalysis and energy, and intensive efforts are focused on the integration of transition-metal sites in carbon as noble-metal-free candidates. Recently, the discovery of single-atom dispersed catalyst (SAC) provides a new frontier in heterogeneous catalysis. However, the electrocatalytic application of SAC is still subject to several theoretical and experimental limitations. Further advances depend on a better design of SAC through optimizing its interaction with adsorbates during catalysis. Here, distinctive from previous studies, favorable 3d electronic occupation and enhanced metal-adsorbates interactions in single-atom centers via the construction of nonplanar coordination is achieved, which is confirmed by advanced X-ray spectroscopic and electrochemical studies. The as-designed atomically dispersed cobalt sites within nonplanar coordination show significantly improved catalytic activity and selectivity toward the oxygen reduction reaction, approaching the benchmark Pt-based catalysts. More importantly, the illustration of the active sites in SAC indicates metal-natured catalytic sites and a media-dependent catalytic pathway. Achieving structural and electronic engineering on SAC that promotes its catalytic performances provides a paradigm to bridge the gap between single-atom catalysts design and electrocatalytic applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Oxygen diffusion in single crystal barium titanate.

    Science.gov (United States)

    Kessel, Markus; De Souza, Roger A; Martin, Manfred

    2015-05-21

    Oxygen diffusion in cubic, nominally undoped, (100) oriented BaTiO3 single crystals has been studied by means of (18)O2/(16)O2 isotope exchange annealing and subsequent determination of the isotope profiles in the solid by time-of-flight secondary ion mass spectrometry (ToF-SIMS). Experiments were carried out as a function of temperature 973 < T/K < 1173, at an oxygen activity of aO2 = 0.200, and as a function of oxygen activity 0.009 < aO2 < 0.900 at T = 1073 K. The oxygen isotope profiles comprise two parts: slow diffusion through a space-charge zone at the surface depleted of oxygen vacancies followed by faster diffusion in a homogeneous bulk phase. The entire isotope profile can be described by a single solution to the diffusion equation involving only three fitting parameters: the surface exchange coefficient ks*, the space-charge potential Φ0 and the bulk diffusion coefficient D*(∞). Analysis of the temperature and oxygen activity dependencies of D*(∞) and Φ0 yields a consistent picture of both the bulk and the interfacial defect chemistry of BaTiO3. Values of the oxygen vacancy diffusion coefficient DV extracted from measured D*(∞) data are compared with literature data; consequently a global expression for the vacancy diffusivity in BaTiO3 for the temperature range 466 < T/K < 1273 is obtained, with an activation enthalpy of vacancy migration, ΔHmig,V = (0.70 ± 0.04) eV.

  15. Monte Carlo Technique Used to Model the Degradation of Internal Spacecraft Surfaces by Atomic Oxygen

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.

    2004-01-01

    Atomic oxygen is one of the predominant constituents of Earth's upper atmosphere. It is created by the photodissociation of molecular oxygen (O2) into single O atoms by ultraviolet radiation. It is chemically very reactive because a single O atom readily combines with another O atom or with other atoms or molecules that can form a stable oxide. The effects of atomic oxygen on the external surfaces of spacecraft in low Earth orbit can have dire consequences for spacecraft life, and this is a well-known and much studied problem. Much less information is known about the effects of atomic oxygen on the internal surfaces of spacecraft. This degradation can occur when openings in components of the spacecraft exterior exist that allow the entry of atomic oxygen into regions that may not have direct atomic oxygen attack but rather scattered attack. Openings can exist because of spacecraft venting, microwave cavities, and apertures for Earth viewing, Sun sensors, or star trackers. The effects of atomic oxygen erosion of polymers interior to an aperture on a spacecraft were simulated at the NASA Glenn Research Center by using Monte Carlo computational techniques. A two-dimensional model was used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of the distance into a parallel-walled cavity. The model allows the atomic oxygen arrival direction, the Maxwell Boltzman temperature, and the ram energy to be varied along with the interaction parameters of the degree of recombination upon impact with polymer or nonreactive surfaces, the initial reaction probability, the reaction probability dependence upon energy and angle of attack, degree of specularity of scattering of reactive and nonreactive surfaces, and the degree of thermal accommodation upon impact with reactive and non-reactive surfaces to be varied to allow the model to produce atomic oxygen erosion geometries that replicate actual experimental results from space. The degree of

  16. Laboratory investigations involving high-velocity oxygen atoms

    Science.gov (United States)

    Leger, Lubert J.; Koontz, Steven L.; Visentine, James T.; Cross, Jon B.

    1989-01-01

    Facilities for measuring material reactive characteristics have been under development for several years and span the atom energy range from thermal to 5 eV, the orbital collision energy. One of the high-atom energy facilities (The High Intensity/Energy Atomic Oxygen Source) capable of simulating the reactive part of LEO is described, along with results of beam characterization and preliminary material studies. The oxygen atom beam source was a continuous wave plasma produced by focusing a high-power CO2 laser through a lens system into a rare gas/molecular oxygen mixture chamber at elevated temperature. Material samples were exposed to the high velocity beam through an external feedthrough. The facility showed good stability in continued operation for more than 100 hours, producing fluences of 10 to the 21st to 10 to the 22nd atoms/sq cm. Reaction efficiencies and surface morphology have been measured for several materials at energies of 1.5 and 2.8 eV, matching with data generated from previous space flights. Activation energies for carbon and Kapton as measured in this facility were 800 cal/mole.

  17. Doping monolayer graphene with single atom substitutions

    KAUST Repository

    Wang, Hongtao

    2012-01-11

    Functionalized graphene has been extensively studied with the aim of tailoring properties for gas sensors, superconductors, supercapacitors, nanoelectronics, and spintronics. A bottleneck is the capability to control the carrier type and density by doping. We demonstrate that a two-step process is an efficient way to dope graphene: create vacancies by high-energy atom/ion bombardment and fill these vacancies with desired dopants. Different elements (Pt, Co, and In) have been successfully doped in the single-atom form. The high binding energy of the metal-vacancy complex ensures its stability and is consistent with in situ observation by an aberration-corrected and monochromated transmission electron microscope. © 2011 American Chemical Society.

  18. Periodically Driven Array of Single Rydberg Atoms

    Science.gov (United States)

    Basak, Sagarika; Chougale, Yashwant; Nath, Rejish

    2018-03-01

    An array of single Rydberg atoms driven by a temporally modulated atom-field detuning is studied. The periodic modulation effectively modifies the Rabi coupling, leading to unprecedented dynamics in the presence of Rydberg-Rydberg interactions, in particular, blockade enhancement, antiblockades, and state-dependent population trapping. Interestingly, the Schrieffer-Wolf transformation reveals a fundamental process in Rydberg gases, correlated Rabi coupling, which stems from the extended nature of the Rydberg-Rydberg interactions. Also, the correlated coupling provides an alternative depiction for the Rydberg blockade, exhibiting a nontrivial behavior in the presence of periodic modulation. The dynamical localization of a many-body configuration in a driven Rydberg lattice is discussed.

  19. Behaviour of oxygen atoms near the surface of nanostructured Nb2O5

    International Nuclear Information System (INIS)

    Cvelbar, U; Mozetic, M

    2007-01-01

    Recombination of neutral oxygen atoms on oxidized niobium foil was studied. Three sets of samples have been prepared: a set of niobium foils with a film of polycrystalline niobium oxide with a thickness of 40 nm, another one with a film thickness of about 2 μm and a set of foils covered with dense bundles of single-crystal Nb 2 O 3 nanowires. All the samples were prepared by oxidation of a pure niobium foil. The samples with a thin oxide film were prepared by exposure of as-received foils to a flux of O-atoms, the samples with a thick polycrystalline niobium oxide were prepared by baking the foils in air at a temperature of 800 deg. C, while the samples covered with nanowires were prepared by oxidation in a highly reactive oxygen plasma. The samples were exposed to neutral oxygen atoms from a remote oxygen plasma source. Depending on discharge parameters, the O-atom density in the postglow chamber, as measured with a catalytic probe, was between 5 x 10 20 and 8 x 10 21 m -3 . The O-atom density in the chamber without the samples was found rather independent of the probe position. The presence of the samples caused a decrease in the O-atom density. Depending on the distance from the samples, the O-atom density was decreased up to 5 times. The O-atom density also depended on the surface morphology of the samples. The strongest decrease in the O-atom density was observed with the samples covered with dense bundles of nanowires. The results clearly showed that niobium oxide nanowires exhibit excellent catalytic behaviour for neutral radicals and can be used as catalysts of exhaust radicals found in many applications

  20. Anelastic relaxation peaks in single crystals of zirconium-oxygen alloys

    International Nuclear Information System (INIS)

    Ritchie, I.G.; Sprungmann, K.W.; Atrens, A.; Rosinger, H.E.; CEA Centre d'Etudes Nucleaires de Grenoble, 38

    1977-01-01

    Relaxations of the compliances S 11 -S 12 and S 44 have been observed in single crystals of zirconium-oxygen alloys tested in flexure and in torsion respectively. The relaxations are attributed to the stress-induced reorientation of substitutional impurity atoms (s) paired with interstitial oxygen atoms (i). The results demonstrate that the jump of the interstitial parallel to the basal plane dominates in the reorientation of the s-i pair

  1. Single-atom contacts with a scanning tunnelling microscope

    International Nuclear Information System (INIS)

    Kroeger, J; Neel, N; Sperl, A; Wang, Y F; Berndt, R

    2009-01-01

    The tip of a cryogenic scanning tunnelling microscope is used to controllably contact single atoms adsorbed on metal surfaces. The transition between tunnelling and contact is gradual for silver, while contact to adsorbed gold atoms is abrupt. The single-atom junctions are stable and enable spectroscopic measurements of, e.g., the Abrikosov-Suhl resonance of single Kondo impurities.

  2. Isolating and moving single atoms using silicon nanocrystals

    Science.gov (United States)

    Carroll, Malcolm S.

    2010-09-07

    A method is disclosed for isolating single atoms of an atomic species of interest by locating the atoms within silicon nanocrystals. This can be done by implanting, on the average, a single atom of the atomic species of interest into each nanocrystal, and then measuring an electrical charge distribution on the nanocrystals with scanning capacitance microscopy (SCM) or electrostatic force microscopy (EFM) to identify and select those nanocrystals having exactly one atom of the atomic species of interest therein. The nanocrystals with the single atom of the atomic species of interest therein can be sorted and moved using an atomic force microscope (AFM) tip. The method is useful for forming nanoscale electronic and optical devices including quantum computers and single-photon light sources.

  3. Ultrasensitive magnetometer using a single atom

    Science.gov (United States)

    Wunderlich, Christof

    2017-04-01

    Precision sensing, and in particular high precision magnetometry, is a central goal of research into quantum technologies. The precision, and thus the sensitivity of magnetometry scales as 1 /√{T2} with the phase coherence time T2 of the sensing system. Typical quantum sensing protocols prolong T2 of the quantum states used for sensing by using dynamical decoupling (DD), that is, applying a continuous or pulsed electromagnetic driving field. In the case of pulsed DD, the required repetition rate of pulses - with each pulse having a well defined pulse area - is proportional to the frequency of the field to be detected with high sensitivity, thus effectively limiting the frequency range of the sensor. To achieve a long coherence time T2 using continuous DD, the amplitude of the driving field has to be kept highly stable for time T2, another technologically challenging problem. Here, we implement a decoupling scheme using two continuous decoupling fields in an atomic 4-level scheme. Thus, the coherence time is no longer limited by fluctuations of the amplitude of the decoupling fields. Instead, T2 is determined by the frequency stability of the driving fields which is straight forward to maintain with high precision using, for instance, a commercial atomic clock. Using a single trapped 171Yb+ ion as a sensor, we experimentally attain a sensitivity of 4 . 6 pT /√{Hz} , to our knowledge the best sensitivity so far realized with a single atom. The detected magnetic field is an alternating-current (AC) magnetic field near 14 MHz. Based on the principle demonstrated here, this unprecedented sensitivity together with its tuneability from direct-current to the gigahertz range could be used for magnetic imaging in as of yet inaccessible parameter regimes.

  4. Monte Carlo modeling of atomic oxygen attack of polymers with protective coatings on LDEF

    Science.gov (United States)

    Banks, Bruce A.; Degroh, Kim K.; Auer, Bruce M.; Gebauer, Linda; Edwards, Jonathan L.

    1993-01-01

    Characterization of the behavior of atomic oxygen interaction with materials on the Long Duration Exposure Facility (LDEF) assists in understanding of the mechanisms involved. Thus the reliability of predicting in-space durability of materials based on ground laboratory testing should be improved. A computational model which simulates atomic oxygen interaction with protected polymers was developed using Monte Carlo techniques. Through the use of an assumed mechanistic behavior of atomic oxygen interaction based on in-space atomic oxygen erosion of unprotected polymers and ground laboratory atomic oxygen interaction with protected polymers, prediction of atomic oxygen interaction with protected polymers on LDEF was accomplished. However, the results of these predictions are not consistent with the observed LDEF results at defect sites in protected polymers. Improved agreement between observed LDEF results and predicted Monte Carlo modeling can be achieved by modifying of the atomic oxygen interactive assumptions used in the model. LDEF atomic oxygen undercutting results, modeling assumptions, and implications are presented.

  5. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    Science.gov (United States)

    Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.; hide

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

  6. The surface reactivity of acrylonitrile with oxygen atoms on an analogue of interstellar dust grains.

    Science.gov (United States)

    Kimber, Helen J.; Toscano, Jutta; Price, Stephen D.

    2018-03-01

    Experiments designed to reveal the low temperature reactivity on the surfaces of interstellar dust grains are used to probe the heterogeneous reaction between oxygen atoms and acrylonitrile (C2H3CN, H2C = CH-CN). The reaction is studied at a series of fixed surface temperatures between 14 K and 100 K. After dosing the reactants onto the surface, temperature programmed desorption, coupled with time-of-flight mass spectrometry, reveals the formation of a product with the molecular formula C3H3NO. This product results from the addition of a single oxygen atom to the acrylonitrile reactant. The oxygen atom attack appears to occur exclusively at the C = C double bond, rather than involving the cyano (-CN) group. The absence of reactivity at the cyano site hints that full saturation of organic molecules on dust grains may not always occur in the interstellar medium. Modelling the experimental data provides a reaction probability of 0.007 ± 0.003 for a Langmuir-Hinshelwood style (diffusive) reaction mechanism. Desorption energies for acrylonitrile, oxygen atoms and molecular oxygen, from the multilayer mixed ice their deposition forms, are also extracted from the kinetic model and are 22.7 ± 1.0 kJ mol-1 (2730 ± 120 K), 14.2 ± 1.0 kJ mol-1 (1710 ± 120 K) and 8.5 ± 0.8 kJ mol-1 (1020 ± 100 K) respectively. The kinetic parameters we extract from our experiments indicate that the reaction between atomic oxygen and acrylonitrile could occur on interstellar dust grains on an astrophysical time scale.

  7. A single-atom quantum memory.

    Science.gov (United States)

    Specht, Holger P; Nölleke, Christian; Reiserer, Andreas; Uphoff, Manuel; Figueroa, Eden; Ritter, Stephan; Rempe, Gerhard

    2011-05-12

    The faithful storage of a quantum bit (qubit) of light is essential for long-distance quantum communication, quantum networking and distributed quantum computing. The required optical quantum memory must be able to receive and recreate the photonic qubit; additionally, it must store an unknown quantum state of light better than any classical device. So far, these two requirements have been met only by ensembles of material particles that store the information in collective excitations. Recent developments, however, have paved the way for an approach in which the information exchange occurs between single quanta of light and matter. This single-particle approach allows the material qubit to be addressed, which has fundamental advantages for realistic implementations. First, it enables a heralding mechanism that signals the successful storage of a photon by means of state detection; this can be used to combat inevitable losses and finite efficiencies. Second, it allows for individual qubit manipulations, opening up avenues for in situ processing of the stored quantum information. Here we demonstrate the most fundamental implementation of such a quantum memory, by mapping arbitrary polarization states of light into and out of a single atom trapped inside an optical cavity. The memory performance is tested with weak coherent pulses and analysed using full quantum process tomography. The average fidelity is measured to be 93%, and low decoherence rates result in qubit coherence times exceeding 180  microseconds. This makes our system a versatile quantum node with excellent prospects for applications in optical quantum gates and quantum repeaters.

  8. Nondestructive fluorescent state detection of single neutral atom qubits.

    Science.gov (United States)

    Gibbons, Michael J; Hamley, Christopher D; Shih, Chung-Yu; Chapman, Michael S

    2011-04-01

    We demonstrate nondestructive (lossless) fluorescent state detection of individual neutral atom qubits trapped in an optical lattice. The hyperfine state of the atom is measured with a 95% accuracy and an atom loss rate of 1%. Individual atoms are initialized and detected over 100 times before being lost from the trap, representing a 100-fold improvement in data collection rates over previous experiments. Microwave Rabi oscillations are observed with repeated measurements of one and the same single atom. © 2011 American Physical Society

  9. rf plasma system as an atomic oxygen exposure facility

    International Nuclear Information System (INIS)

    Shpilman, Z.; Gouzman, I.; Lempert, G.; Grossman, E.; Hoffman, A.

    2008-01-01

    The materials of spacecraft external surfaces in low Earth orbit (LEO) are exposed to the various constituents of the space environment, including atomic oxygen (AO) and solar ultra violet (UV) radiation. Material degradation and erosion by LEO are simulated in ground laboratories using a variety of experimental facilities, each with their respective limitations. rf oxygen plasma is a simulation facility widely used for materials screening for LEO application. However, the complex plasma environment, which contains, in addition to the neutral oxygen atoms, excited species, electrons, and ions as well as vacuum ultraviolet (VUV) radiation, might lead to erroneous determination of materials reactivity with respect to LEO. This paper describes the development of a simple, low cost rf plasma system to produce a well-defined AO and VUV environment. The new system constrained the afterglow flow through two right-angle turns. The afterglow was characterized at three specific locations by (i) optical emission spectroscopy for assessment of electronically excited states, (ii) current measurements, and (iii) UV radiation measurements. Kapton registered samples were exposed at the three specific locations in the system and characterized by mass loss for etch rate evaluation, and atomic force microscopy for surface modification. It was found that there is a significant reduction in ionic species, excited species, and UV radiation as the afterglow advances through the right-angle turns. The reduction in charged particle flux is due to recombination within the afterglow as well as neutralization by colliding with the grounded metal chamber walls; similar decrease in UV radiation flux occurs through radiation absorption by the chamber walls. Finally, it is shown that the ground state AO is the dominant reactive specie of the plasma afterglow after passing through the two right-angle turns

  10. Atomic oxygen ions as ionospheric biomarkers on exoplanets

    Science.gov (United States)

    Mendillo, Michael; Withers, Paul; Dalba, Paul A.

    2018-04-01

    The ionized form of atomic oxygen (O+) is the dominant ion species at the altitude of maximum electron density in only one of the many ionospheres in our Solar System — Earth's. This ionospheric composition would not be present if oxygenic photosynthesis was not an ongoing mechanism that continuously impacts the terrestrial atmosphere. We propose that dominance of ionospheric composition by O+ ions at the altitude of maximum electron density can be used to identify a planet in orbit around a solar-type star where global-scale biological activity is present. There is no absolute numerical value required for this suggestion of an atmospheric plasma biomarker — only the dominating presence of O+ ions at the altitude of peak electron density.

  11. Automatic measuring device for atomic oxygen concentrations (1962)

    International Nuclear Information System (INIS)

    Weill, J.; Deiss, M.; Mercier, R.

    1962-01-01

    Within the framework of the activities of the Autonomous Reactor Electronics Section we have developed a device, which renders automatic one type of measurement carried out in the Physical Chemistry Department at the Saclay Research Centre. We define here: - the physico-chemical principle of the apparatus which is adapted to the measurement of atomic oxygen concentrations; - the physical principle of the automatic measurement; - the properties, performance, constitution, use and maintenance of the automatic measurement device. It is concluded that the principle of the automatic device, whose tests have confirmed the estimation of the theoretical performance, could usefully be adapted to other types of measurement. (authors) [fr

  12. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Stolte, W.C.; Lu, Y.; Samson, J.A.R. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The aim of the present research is to understand the interaction between the ejected photoelectron and Auger electron produced by the Auger decay of a 1s hole in atomic oxygen, and to understand the influence this interaction has on the shape of the ionization cross sections. To accomplish this the authors have measured the relative ion yields (ion/photon) in the vicinity of the oxygen K-shell (525 - 533 eV) for O{sup +} and O{sup 2+}. The measurements were performed at the ALS on beamline, 6.3.2. The atomic oxygen was produced by passing molecular oxygen through a microwave-driven discharge. A Rydberg analysis of the two series leading to the [1s]2s{sup 2}2p{sup 4}({sup 4}P) and [1s]2s{sup 2}2p{sup 4}({sup 2}P) limits were obtained. This analysis shows some differences to the recently published results by Menzel et al. The energy position of the main 1s{sup 1}2s{sup 2}2p{sup 5}({sup 3}P) resonance differs by approximately 1 eV from the authors value, all members of the ({sup 2}P)np series differ by 0.3 eV, but the members of the ({sup 4}P)np series agree. The molecular resonance at 530.5 eV and those between 539 eV and 543 eV, measured with the microwave discharge off show identical results in both experiments.

  13. Directional emission of single photons from small atomic samples

    DEFF Research Database (Denmark)

    Miroshnychenko, Yevhen; V. Poulsen, Uffe; Mølmer, Klaus

    2013-01-01

    We provide a formalism to describe deterministic emission of single photons with tailored spatial and temporal profiles from a regular array of multi-level atoms. We assume that a single collective excitation is initially shared by all the atoms in a metastable atomic state, and that this state i...... is coupled by a classical laser field to an optically excited state which rapidly decays to the ground atomic state. Our model accounts for the different field polarization components via re-absorption and emission of light by the Zeeman manifold of optically excited states.......We provide a formalism to describe deterministic emission of single photons with tailored spatial and temporal profiles from a regular array of multi-level atoms. We assume that a single collective excitation is initially shared by all the atoms in a metastable atomic state, and that this state...

  14. MISSE 6 Stressed Polymers Experiment Atomic Oxygen Erosion Data

    Science.gov (United States)

    deGroh, Kim K.; Banks, Bruce A.; Mitchell, Gianna G.; Yi, Grace T.; Guo, Aobo; Ashmeade, Claire C.; Roberts, Lily M.; McCarthy, Catherine E.; Sechkar, Edward A.

    2013-01-01

    Polymers and other oxidizable materials used on the exterior of spacecraft in the low Earth orbit (LEO) space environment can be eroded away by reaction with atomic oxygen (AO). For spacecraft design, it is important to know the LEO AO erosion yield, Ey (volume loss per incident oxygen atom), of materials susceptible to AO erosion. The Stressed Polymers Experiment was developed and flown as part of the Materials International Space Station Experiment 6 (MISSE 6) to compare the AO erosion yields of stressed and non-stressed polymers to determine if erosion is dependent upon stress while in LEO. The experiment contained 36 thin film polymer samples that were exposed to ram AO for 1.45 years. This paper provides an overview of the Stressed Polymers Experiment with details on the polymers flown, the characterization techniques used, the AO fluence, and the erosion yield results. The MISSE 6 data are compared to data for similar samples flown on previous MISSE missions to determine fluence or solar radiation effects on erosion yield.

  15. Oxygen reduction and evolution at single-metal active sites

    DEFF Research Database (Denmark)

    Calle-Vallejo, F.; Martínez, J.I.; García Lastra, Juan Maria

    2013-01-01

    overpotentials and is made of precious materials. A possible solution is the use of non-noble electrocatalysts with single-metal active sites. Here, on the basis of DFT calculations of adsorbed intermediates and a thermodynamic analysis, we compare the oxygen reduction (ORR) and evolution (OER) activities...... of functionalized graphitic materials and gas-phase porphyrins with late transition metals. We find that both kinds of materials follow approximately the same activity trends, and active sites with transition metals from groups 7 to 9 may be good ORR and OER electrocatalysts. However, spin analyses show more...... flexibility in the possible oxidation states of the metal atoms in solid electrocatalysts, while in porphyrins they must be +2. These observations reveal that the catalytic activity of these materials is mainly due to nearest-neighbor interactions. Based on this, we propose that this class of electrocatalysts...

  16. Operation of the computer model for direct atomic oxygen exposure of Earth satellites

    Science.gov (United States)

    Bourassa, R. J.; Gruenbaum, P. E.; Gillis, J. R.; Hargraves, C. R.

    1995-01-01

    One of the primary causes of material degradation in low Earth orbit (LEO) is exposure to atomic oxygen. When atomic oxygen molecules collide with an orbiting spacecraft, the relative velocity is 7 to 8 km/sec and the collision energy is 4 to 5 eV per atom. Under these conditions, atomic oxygen may initiate a number of chemical and physical reactions with exposed materials. These reactions contribute to material degradation, surface erosion, and contamination. Interpretation of these effects on materials and the design of space hardware to withstand on-orbit conditions requires quantitative knowledge of the atomic oxygen exposure environment. Atomic oxygen flux is a function of orbit altitude, the orientation of the orbit plan to the Sun, solar and geomagnetic activity, and the angle between exposed surfaces and the spacecraft heading. We have developed a computer model to predict the atomic oxygen exposure of spacecraft in low Earth orbit. The application of this computer model is discussed.

  17. Materials International Space Station Experiment-6 (MISSE-6) Atomic Oxygen Fluence Monitor Experiment

    Science.gov (United States)

    Banks, Bruce A.; Miller, Sharon K.; Waters, Deborah L.

    2010-01-01

    An atomic oxygen fluence monitor was flown as part of the Materials International Space Station Experiment-6 (MISSE-6). The monitor was designed to measure the accumulation of atomic oxygen fluence with time as it impinged upon the ram surface of the MISSE 6B Passive Experiment Container (PEC). This was an active experiment for which data was to be stored on a battery-powered data logger for post-flight retrieval and analysis. The atomic oxygen fluence measurement was accomplished by allowing atomic oxygen to erode two opposing wedges of pyrolytic graphite that partially covered a photodiode. As the wedges of pyrolytic graphite erode, the area of the photodiode that is illuminated by the Sun increases. The short circuit current, which is proportional to the area of illumination, was to be measured and recorded as a function of time. The short circuit current from a different photodiode, which was oriented in the same direction and had an unobstructed view of the Sun, was also to be recorded as a reference current. The ratio of the two separate recorded currents should bear a linear relationship with the accumulated atomic oxygen fluence and be independent of the intensity of solar illumination. Ground hyperthermal atomic oxygen exposure facilities were used to evaluate the linearity of the ratio of short circuit current to the atomic oxygen fluence. In flight, the current measurement circuitry failed to operate properly, thus the overall atomic oxygen mission fluence could only be estimated based on the physical erosion of the pyrolytic graphite wedges. The atomic oxygen fluence was calculated based on the knowledge of the space atomic oxygen erosion yield of pyrolytic graphite measured from samples on the MISSE 2. The atomic oxygen fluence monitor, the expected result and comparison of mission atomic oxygen fluence based on the erosion of the pyrolytic graphite and Kapton H atomic oxygen fluence witness samples are presented in this paper.

  18. Quantum delayed-choice experiment with a single neutral atom.

    Science.gov (United States)

    Li, Gang; Zhang, Pengfei; Zhang, Tiancai

    2017-10-01

    We present a proposal to implement a quantum delayed-choice (QDC) experiment with a single neutral atom, such as a rubidium or cesium atom. In our proposal, a Ramsey interferometer is adopted to observe the wave-like or particle-like behaviors of a single atom depending on the existence or absence of the second π/2-rotation. A quantum-controlled π/2-rotation on target atom is realized through a Rydberg-Rydberg interaction by another ancilla atom. It shows that a heavy neutral atom can also have a morphing behavior between the particle and the wave. The realization of the QDC experiment with such heavy neutral atoms not only is significant to understand the Bohr's complementarity principle in matter-wave and matter-particle domains but also has great potential on the quantum information process with neutral atoms.

  19. Erosion of Carbon-based spacecraft structures in LEO by Atomic Oxygen

    DEFF Research Database (Denmark)

    Jørgensen, John Leif

    1998-01-01

    Atomic oxygen is constantly generated on the topside of the atmosphere by ionizing radiation. The ionizing solar radiation, UV and particles, will on impact dissociate molecular oxygen to atomic oxygen. However, due to the ratio between the UV and the particle flux from the sun, and due to compar...

  20. Simulations of Ground and Space-Based Oxygen Atom Experiments

    Science.gov (United States)

    Minton, T. K.; Cline, J. A.; Braunstein, M.

    2002-01-01

    Fast, pulsed atomic oxygen sources are a key tool in ground-based investigations of spacecraft contamination and surface erosion effects. These technically challenging ground-based studies provide a before and after picture of materials under low-earth-orbit (LEO) conditions. It would be of great interest to track in real time the pulsed flux from the source to the surface sample target and beyond in order to characterize the population of atoms and molecules that actually impact the surface and those that make it downstream to any coincident detectors. We have performed simulations in order to provide such detailed descriptions of these ground-based measurements and to provide an assessment of their correspondence to the actual LEO environment. Where possible we also make comparisons to measured fluxes and erosion yields. To perform the calculations we use a detailed description of a measurement beam and surface geometry based on the W, pulsed apparatus at Montana State University. In this system, a short pulse (on the order of 10 microseconds) of an O/O2 beam impacts a flat sample about 40 cm downstream and slightly displaced &om the beam s central axis. Past this target, at the end of the beam axis is a quadrupole mass spectrometer that measures the relative in situ flux of 0102 to give an overall normalized erosion yield. In our simulations we use the Direct Simulation Monte Carlo (DSMC) method, and track individual atoms within the atomic oxygen pulse. DSMC techniques are typically used to model rarefied (few collision) gas-flows which occur at altitudes above approximately 110 kilometers. These techniques are well suited for the conditions here, and multi-collision effects that can only be treated by this or a similar technique are included. This simulation includes collisions with the surface and among gas atoms that have scattered from the surface. The simulation also includes descriptions of the velocity spread and spatial profiles of the O/O2 beam

  1. An atomic model for neutral and singly ionized uranium

    Science.gov (United States)

    Maceda, E. L.; Miley, G. H.

    1979-01-01

    A model for the atomic levels above ground state in neutral, U(0), and singly ionized, U(+), uranium is described based on identified atomic transitions. Some 168 states in U(0) and 95 in U(+) are found. A total of 1581 atomic transitions are used to complete this process. Also discussed are the atomic inverse lifetimes and line widths for the radiative transitions as well as the electron collisional cross sections.

  2. Eddy turbulence, the double mesopause, and the double layer of atomic oxygen

    Directory of Open Access Journals (Sweden)

    M. N. Vlasov

    2012-01-01

    Full Text Available In this study, we consider the impact of eddy turbulence on temperature and atomic oxygen distribution when the peak of the temperature occurs in the upper mesosphere. A previous paper (Vlasov and Kelley, 2010 considered the simultaneous impact of eddy turbulence on temperature and atomic oxygen density and showed that eddy turbulence provides an effective mechanism to explain the cold summer and warm winter mesopause observed at high latitudes. Also, the prevalent role of eddy turbulence in this case removes the strong contradiction between seasonal variations of the O density distribution and the impact of upward/downward motion corresponding to adiabatic cooling/heating of oxygen atoms. Classically, there is a single minimum in the temperature profile marking the location of the mesopause. But often, a local maximum in the temperature is observed in the height range of 85–100 km, creating the appearance of a double mesopause (Bills and Gardner, 1993; Yu and She, 1995; Gusev et al., 2006. Our results show that the relative temperature maximum in the upper mesosphere (and thus the double mesopause can result from heating by eddy turbulence. According to our model, there is a close connection between the extra temperature peak in the mesosphere and the oxygen atom density distribution. The main feature of the O density height profile produced by eddy turbulence in our model is a double peak instead of a single peak of O density. A rocket experiment called TOMEX confirms these results (Hecht et al., 2004. Applying our model to the results of the TOMEX rocket campaign gives good agreement with both the temperature and oxygen profiles observed. Climatology of the midlatitude mesopause and green line emission shows that the double mesopause and the double layers of the green line emission, corresponding to the double O density height profile, are mainly observed in spring and fall (Yu and She, 1995; Liu and Shepherd, 2006. Further observations of

  3. Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

    Science.gov (United States)

    Hung, Ching-Cheh; Cantrell, Gidget

    1994-01-01

    Atomic-oxygen erosion on spacecraft in low Earth orbit is an issue which is becoming increasingly important because of the growing number of spacecraft that will fly in the orbits which have high concentrations of atomic oxygen. In this investigation, the atomic-oxygen durability of three types of electrical wire insulation (carbon-based, fluoropolymer, and polysiloxane elastomer) were evaluated. These insulation materials were exposed to thermal-energy atomic oxygen, which was obtained by RF excitation of air at a pressure of 11-20 Pa. The effects of atomic-oxygen exposure on insulation materials indicate that all carbon-based materials erode at about the same rate as polyamide Kapton and, therefore, are not atomic-oxygen durable. However, the durability of fluoropolymers needs to be evaluated on a case by case basis because the erosion rates of fluoropolymers vary widely. For example, experimental data suggest the formation of atomic fluorine during atomic-oxygen amorphous-fluorocarbon reactions. Dimethyl polysiloxanes (silicone) do not lose mass during atomic-oxygen exposure, but develop silica surfaces which are under tension and frequently crack as a result of loss of methyl groups. However, if the silicone sample surfaces were properly pretreated to provide a certain roughness, atomic oxygen exposure resulted in a sturdy, non-cracked atomic-oxygen durable SiO2 layer. Since the surface does not crack during such silicone-atomic oxygen reaction, the crack-induced contamination by silicone can be reduced or completely stopped. Therefore, with proper pretreatment, silicone can be either a wire insulation material or a coating on wire insulation materials to provide atomic-oxygen durability.

  4. Perhydropolysilazane derived silica coating protecting Kapton from atomic oxygen attack

    International Nuclear Information System (INIS)

    Hu Longfei; Li Meishuan; Xu Caihong; Luo Yongming

    2011-01-01

    By using surface sol–gel method with perhydropolysilazane (PHPS) as a precursor, a silica coating was prepared on a Kapton substrate as an atomic oxygen (AO) protective coating. The AO exposure tests were conducted in a ground-based simulator. It is found that the erosion yield of Kapton decreases by about three orders of magnitude after the superficial application of the coating. After AO exposure, the surface of the coating is smooth and uniform, no surface shrinkage induced cracks or undercutting erosion are observed. This is because that during AO exposure the PHPS is oxidized directly to form SiO 2 without through intermediate reaction processes, the surface shrinkage and cracking tendency are prohibited. Meanwhile, this PHPS derived silica coating also presents self-healing effect due to the oxidation of free Si. Compared with other kinds of silica or organic polymer coatings, this PHPS derived silica coating exhibits a superior AO erosion resistance.

  5. Effects of atomic oxygen on titanium dioxide thin film

    Science.gov (United States)

    Shimosako, Naoki; Hara, Yukihiro; Shimazaki, Kazunori; Miyazaki, Eiji; Sakama, Hiroshi

    2018-05-01

    In low earth orbit (LEO), atomic oxygen (AO) has shown to cause degradation of organic materials used in spacecrafts. Similar to other metal oxides such as SiO2, Al2O3 and ITO, TiO2 has potential to protect organic materials. In this study, the anatese-type TiO2 thin films were fabricated by a sol-gel method and irradiated with AO. The properties of TiO2 were compared using mass change, scanning electron microscope (SEM), atomic force microscope (AFM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmittance spectra and photocatalytic activity before and after AO irradiation. The results indicate that TiO2 film was hardly eroded and resistant against AO degradation. AO was shown to affects only the surface of a TiO2 film and not the bulk. Upon AO irradiation, the TiO2 films were slightly oxidized. However, these changes were very small. Photocatalytic activity of TiO2 was still maintained in spite of slight decrease upon AO irradiation, which demonstrated that TiO2 thin films are promising for elimination of contaminations outgassed from a spacecraft's materials.

  6. Oxygen-free atomic layer deposition of indium sulfide.

    Science.gov (United States)

    McCarthy, Robert F; Weimer, Matthew S; Emery, Jonathan D; Hock, Adam S; Martinson, Alex B F

    2014-08-13

    Atomic layer deposition (ALD) of indium sulfide (In2S3) films was achieved using a newly synthesized indium precursor and hydrogen sulfide. We obtain dense and adherent thin films free from halide and oxygen impurities. Self-limiting half-reactions are demonstrated at temperatures up to 225 °C, where oriented crystalline thin films are obtained without further annealing. Low-temperature growth of 0.89 Å/cycle is observed at 150 °C, while higher growth temperatures gradually reduce the per-cycle growth rate. Rutherford backscattering spectroscopy (RBS) together with depth-profiling Auger electron spectroscopy (AES) reveal a S/In ratio of 1.5 with no detectable carbon, nitrogen, halogen, or oxygen impurities. The resistivity of thin films prior to air exposure decreases with increasing deposition temperature, reaching In2S3 via ALD at temperatures up to 225 °C may allow high quality thin films to be leveraged in optoelectronic devices including photovoltaic absorbers, buffer layers, and intermediate band materials.

  7. Oxygen-Free Atomic Layer Deposition of Indium Sulfide

    Energy Technology Data Exchange (ETDEWEB)

    McCarthy, Robert F.; Weimer, Matthew S.; Emery, Jonathan D.; Hock, Adam S.; Martinson, Alex B. F.

    2014-08-13

    Atomic layer deposition (ALD) of indium sulfide (In2S3) films was achieved using a newly synthesized indium precursor and hydrogen sulfide. We obtain dense and adherent thin films free from halide and oxygen impurities. Self-limiting half-reactions are demonstrated at temperatures up to 200°C, where oriented crystalline thin films are obtained without further annealing. Low temperature growth of 0.89 Å/cycle is observed at 150°C while higher growth temperatures gradually reduce the per-cycle growth rate. Rutherford backscattering spectroscopy (RBS) together with depth-profiling Auger electron spectroscopy (AES) reveal a S/In ratio of 1.5 with no detectable carbon, nitrogen, halogen, or oxygen impurities. The resistivity of thin films prior to air exposure decreases with increasing deposition temperature, reaching <1 ohm-cm for films deposited at 225°C. Hall measurements reveal n-type conductivity due to free electron concentrations up to 1018 cm-3 and mobilities of order 1 cm2/(V*s). The digital synthesis of In2S3 via ALD at temperatures up to 225°C may allow high quality thin films to be leveraged in optoelectronic devices including photovoltaic absorbers, buffer layers, and intermediate band materials.

  8. Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D. [Department of Aerospace Engineering, University of Michigan, 1320 Beal Ave., Ann Arbor, Michigan 48108 (United States)

    2016-07-07

    Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systems with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.

  9. Thermal relaxation of molecular oxygen in collisions with nitrogen atoms.

    Science.gov (United States)

    Andrienko, Daniil A; Boyd, Iain D

    2016-07-07

    Investigation of O2-N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound-bound and bound-free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO2 complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systems with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N2-O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.

  10. Single-spin addressing in an atomic Mott insulator

    DEFF Research Database (Denmark)

    Weitenberg, Christof; Endres, Manuel; Sherson, Jacob

    2011-01-01

    directly monitored the tunnelling quantum dynamics of single atoms in the lattice prepared along a single line, and observed that our addressing scheme leaves the atoms in the motional ground state. The results should enable studies of entropy transport and the quantum dynamics of spin impurities...... and quantum spin dynamics. Here we demonstrate how such control can be implemented at the most fundamental level of a single spin at a specific site of an optical lattice. Using a tightly focused laser beam together with a microwave field, we were able to flip the spin of individual atoms in a Mott insulator...... with sub-diffraction-limited resolution, well below the lattice spacing. The Mott insulator provided us with a large two-dimensional array of perfectly arranged atoms, in which we created arbitrary spin patterns by sequentially addressing selected lattice sites after freezing out the atom distribution. We...

  11. Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting.

    Science.gov (United States)

    Ling, Chongyi; Shi, Li; Ouyang, Yixin; Zeng, Xiao Cheng; Wang, Jinlan

    2017-08-09

    Nanosheet supported single-atom catalysts (SACs) can make full use of metal atoms and yet entail high selectivity and activity, and bifunctional catalysts can enable higher performance while lowering the cost than two separate unifunctional catalysts. Supported single-atom bifunctional catalysts are therefore of great economic interest and scientific importance. Here, on the basis of first-principles computations, we report a design of the first single-atom bifunctional eletrocatalyst, namely, isolated nickel atom supported on β 12 boron monolayer (Ni 1 /β 12 -BM), to achieve overall water splitting. This nanosheet supported SAC exhibits remarkable electrocatalytic performance with the computed overpotential for oxygen/hydrogen evolution reaction being just 0.40/0.06 V. The ab initio molecular dynamics simulation shows that the SAC can survive up to 800 K elevated temperature, while enacting a high energy barrier of 1.68 eV to prevent isolated Ni atoms from clustering. A viable experimental route for the synthesis of Ni 1 /β 12 -BM SAC is demonstrated from computer simulation. The desired nanosheet supported single-atom bifunctional catalysts not only show great potential for achieving overall water splitting but also offer cost-effective opportunities for advancing clean energy technology.

  12. A fast atomic oxygen beam facility with in situ testing/analysis capabilities

    Science.gov (United States)

    Kinoshita, H.; Ikeda, J.; Tagawa, M.; Umeno, M.; Ohmae, N.

    1998-06-01

    A fast atomic oxygen beam facility consisting of a beam source, a mass spectrometer, an Auger electron spectroscope, a scanning tunneling microscope, and a friction tester has been developed to investigate interaction of energetic atomic oxygen with solid surfaces. The fast atomic oxygen beam has been characterized by time of flight distribution, quadrupole mass spectrometry, and quartz crystal microbalance. The time of flight distribution of the beam has shown that the average translational energy of the atomic oxygen beam reaches 4.7 eV and that the full width at half-maximum is 5.5 eV. A flux of the atomic oxygen is calculated from the frequency shift of the quartz crystal microbalance with silver electrodes, and typical flux of the atomic oxygen beam being 4.0×1012atoms/cm2 s. The flux of atomic oxygen of this source is fairly low, but is corresponding to that in the altitude of 500 km in low Earth orbit. The surface sensitive analysis methods equipped with the facility, such as Auger electron spectroscopy and scanning tunneling microscopy, have provided changes in the surface composition and morphology caused by the atomic oxygen exposure, without receiving any effect of ambient air. The ultrahigh vacuum friction tester especially designed for this facility is used to measure tribological properties of solid lubricants under the atomic oxygen exposures. Such in situ testing capability of this facility enables fundamental research for understanding the reaction scheme of atomic oxygen as well as engineering-oriented research for obtaining high reliability of the space systems.

  13. The generation and detection of high flux atomic oxygen for physical vapor deposition thin film growth

    NARCIS (Netherlands)

    Ingle, N.J.C.; Hammond, R.H.; Beasley, M.R.; Blank, David H.A.

    1999-01-01

    The growth of many epitaxial thin-film oxides is significantly enhanced with the use of an oxidizing agent such as atomic oxygen, ozone, or NO2. We developed a flow-through microwave plasma source to generate large atomic oxygen fluxes while maintaining vacuum pressures of less that 1×10¿4 Torr.

  14. Hydroxyl molecule vibrational state deactivation with atomic and molecular oxygen in meso-pause region

    International Nuclear Information System (INIS)

    Perminov, V.I.; Semenov, A.I.; Shefov, N.N.

    1998-01-01

    Velocities of multi-quanta vibrational relaxation of hydroxyl excited molecules by collisions with oxygen atoms and molecules are determined. High-altitude distributions of concentrations of atomic oxygen and OH excited molecules, as well as photochemical processes of the OH molecule excitation in the meso-pause area were used for this purpose. Dependences of deactivation velocities for various vibrational levels are presented

  15. Materials selection for long life in low earth orbit - A critical evaluation of atomic oxygen testing with thermal atom systems

    Science.gov (United States)

    Koontz, S. L.; Albyn, K.; Leger, L.

    1990-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined in thermal atom environments are compared with those observed in LEO and in high-quality LEO simulations. Reaction efficiencies (cu cm/atom) measured in a new type of thermal atom apparatus are one-thousandth to one ten-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of eight in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain speciic thermal atom test environments can be used as reliable materials screening tools.

  16. Carbon-hydrogen defects with a neighboring oxygen atom in n-type Si

    Science.gov (United States)

    Gwozdz, K.; Stübner, R.; Kolkovsky, Vl.; Weber, J.

    2017-07-01

    We report on the electrical activation of neutral carbon-oxygen complexes in Si by wet-chemical etching at room temperature. Two deep levels, E65 and E75, are observed by deep level transient spectroscopy in n-type Czochralski Si. The activation enthalpies of E65 and E75 are obtained as EC-0.11 eV (E65) and EC-0.13 eV (E75). The electric field dependence of their emission rates relates both levels to single acceptor states. From the analysis of the depth profiles, we conclude that the levels belong to two different defects, which contain only one hydrogen atom. A configuration is proposed, where the CH1BC defect, with hydrogen in the bond-centered position between neighboring C and Si atoms, is disturbed by interstitial oxygen in the second nearest neighbor position to substitutional carbon. The significant reduction of the CH1BC concentration in samples with high oxygen concentrations limits the use of this defect for the determination of low concentrations of substitutional carbon in Si samples.

  17. Single atoms on demand for cavity QED experiments

    Energy Technology Data Exchange (ETDEWEB)

    Dotsenko, I.

    2007-09-06

    Cavity quantum electrodynamics (cavity QED) describes electromagnetic fields in a confined space and the radiative properties of atoms in such fields. The simplest example of such system is a single atom interacting with one mode of a high-finesse resonator. Besides observation and exploration of fundamental quantum mechanical effects, this system bears a high potential for applications quantum information science such as, e.g., quantum logic gates, quantum communication and quantum teleportation. In this thesis I present an experiment on the deterministic coupling of a single neutral atom to the mode of a high-finesse optical resonator. In Chapter 1 I describe our basic techniques for trapping and observing single cesium atoms. As a source of single atoms we use a high-gradient magneto-optical trap, which captures the atoms from background gas in a vacuum chamber and cools them down to millikelvin temperatures. The atoms are then transferred without loss into a standing-wave dipole trap, which provides a conservative potential required for experiments on atomic coherence such as quantum information processing and metrology on trapped atoms. Moreover, shifting the standing-wave pattern allows us to deterministically transport the atoms (Chapter 2). In combination with nondestructive fluorescence imaging of individual trapped atoms, this enables us to control their position with submicrometer precision over several millimeters along the dipole trap. The cavity QED system can distinctly display quantum behaviour in the so-called strong coupling regime, i.e., when the coherent atom-cavity coupling rate dominates dissipation in the system. This sets the main requirements on the resonator's properties: small mode volume and high finesse. Chapter 3 is devoted to the manufacturing, assembling, and testing of an ultra-high finesse optical Fabry-Perot resonator, stabilized to the atomic transition. In Chapter 4 I present the transportation of single atoms into the

  18. Single atoms on demand for cavity QED experiments

    International Nuclear Information System (INIS)

    Dotsenko, I.

    2007-01-01

    Cavity quantum electrodynamics (cavity QED) describes electromagnetic fields in a confined space and the radiative properties of atoms in such fields. The simplest example of such system is a single atom interacting with one mode of a high-finesse resonator. Besides observation and exploration of fundamental quantum mechanical effects, this system bears a high potential for applications quantum information science such as, e.g., quantum logic gates, quantum communication and quantum teleportation. In this thesis I present an experiment on the deterministic coupling of a single neutral atom to the mode of a high-finesse optical resonator. In Chapter 1 I describe our basic techniques for trapping and observing single cesium atoms. As a source of single atoms we use a high-gradient magneto-optical trap, which captures the atoms from background gas in a vacuum chamber and cools them down to millikelvin temperatures. The atoms are then transferred without loss into a standing-wave dipole trap, which provides a conservative potential required for experiments on atomic coherence such as quantum information processing and metrology on trapped atoms. Moreover, shifting the standing-wave pattern allows us to deterministically transport the atoms (Chapter 2). In combination with nondestructive fluorescence imaging of individual trapped atoms, this enables us to control their position with submicrometer precision over several millimeters along the dipole trap. The cavity QED system can distinctly display quantum behaviour in the so-called strong coupling regime, i.e., when the coherent atom-cavity coupling rate dominates dissipation in the system. This sets the main requirements on the resonator's properties: small mode volume and high finesse. Chapter 3 is devoted to the manufacturing, assembling, and testing of an ultra-high finesse optical Fabry-Perot resonator, stabilized to the atomic transition. In Chapter 4 I present the transportation of single atoms into the cavity

  19. Manipulating localized molecular orbitals by single-atom contacts.

    Science.gov (United States)

    Wang, Weihua; Shi, Xingqiang; Lin, Chensheng; Zhang, Rui Qin; Minot, Christian; Van Hove, Michel A; Hong, Yuning; Tang, Ben Zhong; Lin, Nian

    2010-09-17

    We have fabricated atom-molecule contacts by attachment of single Cu atoms to terpyridine side groups of bis-terpyridine tetra-phenyl ethylene molecules on a Cu(111) surface. By means of scanning tunneling microscopy, spectroscopy, and density functional calculations, we have found that, due to the localization characteristics of molecular orbitals, the Cu-atom contact modifies the state localized at the terpyridine side group which is in contact with the Cu atom but does not affect the states localized at other parts of the molecule. These results illustrate the contact effects at individual orbitals and offer possibilities to manipulate orbital alignments within molecules.

  20. Single-cell atomic quantum memory for light

    International Nuclear Information System (INIS)

    Opatrny, Tomas

    2006-01-01

    Recent experiments demonstrating atomic quantum memory for light [B. Julsgaard et al., Nature 432, 482 (2004)] involve two macroscopic samples of atoms, each with opposite spin polarization. It is shown here that a single atomic cell is enough for the memory function if the atoms are optically pumped with suitable linearly polarized light, and quadratic Zeeman shift and/or ac Stark shift are used to manipulate rotations of the quadratures. This should enhance the performance of our quantum memory devices since less resources are needed and losses of light in crossing different media boundaries are avoided

  1. Model of spacecraft atomic oxygen and solar exposure microenvironments

    Science.gov (United States)

    Bourassa, R. J.; Pippin, H. G.

    1993-01-01

    Computer models of environmental conditions in Earth orbit are needed for the following reasons: (1) derivation of material performance parameters from orbital test data, (2) evaluation of spacecraft hardware designs, (3) prediction of material service life, and (4) scheduling spacecraft maintenance. To meet these needs, Boeing has developed programs for modeling atomic oxygen (AO) and solar radiation exposures. The model allows determination of AO and solar ultraviolet (UV) radiation exposures for spacecraft surfaces (1) in arbitrary orientations with respect to the direction of spacecraft motion, (2) overall ranges of solar conditions, and (3) for any mission duration. The models have been successfully applied to prediction of experiment environments on the Long Duration Exposure Facility (LDEF) and for analysis of selected hardware designs for deployment on other spacecraft. The work on these models has been reported at previous LDEF conferences. Since publication of these reports, a revision has been made to the AO calculation for LDEF, and further work has been done on the microenvironments model for solar exposure.

  2. UV Observations of Atomic Oxygen in the Cusp Region

    Science.gov (United States)

    Fritz, B.; Lessard, M.; Dymond, K.; Kenward, D. R.; Lynch, K. A.; Clemmons, J. H.; Hecht, J. H.; Hysell, D. L.; Crowley, G.

    2017-12-01

    The Rocket Experiment for Neutral Upwelling (RENU) 2 launched into the dayside cusp on 13 December, 2015. The sounding rocket payload carried a comprehensive suite of particle, field, and remote sensing instruments to characterize the thermosphere in a region where pockets of enhanced neutral density have been detected [Lühr et al, 2004]. An ultraviolet photomultiplier tube (UV PMT) was oriented to look along the magnetic field line and remotely detect neutral atomic oxygen (OI) above the payload. The UV PMT measured a clear enhancement as the payload descended through a poleward moving auroral form, an indicator of structure in both altitude and latitude. Context for the UV PMT measurement is provided by the Special Sensor Ultraviolet Imager (SSULI) instrument on the Defense Meteorological Space Program (DMSP) satellite, which also measured OI as it passed through the cusp. UV tomography of SSULI observations produces a two-dimensional cross-section of volumetric emission rates in the high-latitude thermosphere prior to the RENU 2 flight. The volume emission rate may then be inverted to produce a profile of neutral density in the thermosphere. A similar technique is used to interpret the UV PMT measurement and determine structure in the thermosphere as RENU 2 descended through the cusp.

  3. Metal (Hydr)oxides@Polymer Core-Shell Strategy to Metal Single-Atom Materials.

    Science.gov (United States)

    Zhang, Maolin; Wang, Yang-Gang; Chen, Wenxing; Dong, Juncai; Zheng, Lirong; Luo, Jun; Wan, Jiawei; Tian, Shubo; Cheong, Weng-Chon; Wang, Dingsheng; Li, Yadong

    2017-08-16

    Preparing metal single-atom materials is currently attracting tremendous attention and remains a significant challenge. Herein, we report a novel core-shell strategy to synthesize single-atom materials. In this strategy, metal hydroxides or oxides are coated with polymers, followed by high-temperature pyrolysis and acid leaching, metal single atoms are anchored on the inner wall of hollow nitrogen-doped carbon (CN) materials. By changing metal precursors or polymers, we demonstrate the successful synthesis of different metal single atoms dispersed on CN materials (SA-M/CN, M = Fe, Co, Ni, Mn, FeCo, FeNi, etc.). Interestingly, the obtained SA-Fe/CN exhibits much higher catalytic activity for hydroxylation of benzene to phenol than Fe nanoparticles/CN (45% vs 5% benzene conversion). First-principle calculations further reveal that the high reactivity originates from the easier formation of activated oxygen species at the single Fe site. Our methodology provides a convenient route to prepare a variety of metal single-atom materials representing a new class of catalysts.

  4. Detection of single atoms by resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    Hurst, G.S.

    1986-01-01

    Rutherford's idea for counting individual atoms can, in principle, be implemented for nearly any type of atom, whether stable or radioactive, by using methods of resonance ionization. With the RIS technique, a laser is tuned to a wavelength which will promote a valence electron in a Z-selected atom to an excited level. Additional resonance or nonresonance photoabsorption steps are used to achieve nearly 100% ionization efficiencies. Hence, the RIS process can be saturated for the Z-selected atoms; and since detectors are available for counting either single electrons or positive ions, one-atom detection is possible. Some examples are given of one-atom detection, including that of the noble gases, in order to show complementarity with AMS methods. For instance, the detection of 81 Kr using RIS has interesting applications for solar neutrino research, ice-cap dating, and groundwater dating. 39 refs., 7 figs., 2 tabs

  5. Single-atom reversible recording at room temperature

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Stokbro, Kurt; Lin, Rong

    2001-01-01

    A single hydrogen atom can be reversibly switched between two symmetric sites on a silicon dimer at the surface of Si(100) using a scanning tunnelling microscope (STM). This is a model binary switch for silicon-based atom-scale reversible data storage at room temperature. In this paper we...... investigate two important aspects of using this single-atom switch as a memory device. First, the switching is electron stimulated, and through detailed modelling the switching probability per electron is accurately deduced. Second, we have investigated the possibilities for desorbing single hydrogen atoms...... to construct ordered arrays of switches to manufacture a memory device. Two desorption mechanisms have been considered: the well known electron-induced desorption at negative sample bias and a novel mechanism probably involving elastic deformation of the tip. For both mechanisms mechanical stability of the STM...

  6. From Single Atoms to Engineered “Super-Atoms”: Interfacing Photons and Atoms in Free Space

    Directory of Open Access Journals (Sweden)

    Yevhen Miroshnychenko

    2014-01-01

    Full Text Available During the last decades the development of laser cooling and trapping has revolutionized the field of quantum optics. Now we master techniques to control the quantum properties of atoms and light, even at a single atom and single photon level. Understanding and controlling interactions of atoms and light both on the microscopic single particle and on the macroscopic collective levels, are two of the very active directions of the current research in this field. The goal is to engineer quantum systems with tailored properties designed for specific applications. One of the ambitious applications on this way is interfacing quantum information for quantum communication and quantum computing. We summarize here theoretical ideas and experimental methods for interfacing atom-based quantum memories with single flying photons.

  7. Auger transitions in singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Mehlhorn, W.

    1978-01-01

    Some recent progress in Auger and autoionizing electron spectrometry of free metal atoms and of multiply ionized atoms is reviewed. The differences which arise between the spectra of atoms in the gaseous and the solid state are due to solid state effects. This will be shown for Cd as an example. The super Coster-Kronig transitions 3p-3d 2 (hole notation) and Coster-Kronig transitions 3p-3d 4s have been measured and compared with free-atom calculations for free Zn atoms. The experimental width GAMMA(3p)=(2.1+-0.2)eV found for the free atom agrees with the value obtained for solid Zn but is considerably smaller than the theoretical value for the free atom. Autoionizing spectra of Na following an L-shell excitation or ionization by different particles are compared and discussed. The nonisotropic angular distribution of electrons from the transition 2p 5 3s 2 2 Psub(3/2)→2p 6 +e - is compared with theoretical calculations. Two examples for Auger spectrometry of multiply ionized atoms are given: (1) excitation of neon target atoms by light and heavy ions, and (2) excitation of projectile ions Be + and B + in single gas collisions with CH 4 . A strong alignment of the excited atoms has also been found here

  8. SINGLE ATOM DETECTABILITY OF A ToF ATOM-PROBE

    OpenAIRE

    Sakurai, T.; Hashizume, T.; Jimbo, A.

    1984-01-01

    Making use of our new focusing type ToF atom-probe which is capable of detecting all the signals entering into the probe hole with 100 % detection efficiency, we have attempted to evaluate the aiming-error of a ToF atom-probe. Our preliminary data suggests that the aiming-error is primarily due to the shift of the ionization disc from the actual atom position. In the low index planes it is possible to detect every single atom by compensating this shift. However in the case of some of the high...

  9. Single atom imaging with an sCMOS camera

    Science.gov (United States)

    Picken, C. J.; Legaie, R.; Pritchard, J. D.

    2017-10-01

    Single atom imaging requires discrimination of weak photon count events above the background and has typically been performed using electron-multiplying charge-coupled device cameras, photomultiplier tubes, or single photon counting modules. A scientific complementary metal-oxide semiconductor (sCMOS) provides a cost effective and highly scalable alternative to other single atom imaging technologies, offering fast readout and larger sensor dimensions. We demonstrate single atom resolved imaging of two site-addressable optical traps separated by 10 μm using an sCMOS camera, offering a competitive signal-to-noise ratio at intermediate count rates to allow high fidelity readout discrimination (error <10-6) and sub-μm spatial resolution for applications in quantum technologies.

  10. Single-atom gating and magnetic interactions in quantum corrals

    Energy Technology Data Exchange (ETDEWEB)

    Ngo, Anh T.; Kim, Eugene H.; Ulloa, Sergio E.

    2017-04-01

    Single-atom gating, achieved by manipulation of adatoms on a surface, has been shown in experiments to allow precise control over superposition of electronic states in quantum corrals. Using a Green's function approach, we demonstrate theoretically that such atom gating can also be used to control the coupling between magnetic degrees of freedom in these systems. Atomic gating enables control not only on the direct interaction between magnetic adatoms, but also over superpositions of many-body states which can then control long distance interactions. We illustrate this effect by considering the competition between direct exchange between magnetic impurities and the Kondo screening mediated by the host electrons, and how this is affected by gating. These results suggest that both magnetic and nonmagnetic single-atom gating may be used to investigate magnetic impurity systems with tailored interactions, and may allow the control of entanglement of different spin states.

  11. C-C Coupling on Single-Atom-Based Heterogeneous Catalyst.

    Science.gov (United States)

    Zhang, Xiaoyan; Sun, Zaicheng; Wang, Bin; Tang, Yu; Nguyen, Luan; Li, Yuting; Tao, Franklin Feng

    2018-01-24

    Compared to homogeneous catalysis, heterogeneous catalysis allows for ready separation of products from the catalyst and thus reuse of the catalyst. C-C coupling is typically performed on a molecular catalyst which is mixed with reactants in liquid phase during catalysis. This homogeneous mixing at a molecular level in the same phase makes separation of the molecular catalyst extremely challenging and costly. Here we demonstrated that a TiO 2 -based nanoparticle catalyst anchoring singly dispersed Pd atoms (Pd 1 /TiO 2 ) is selective and highly active for more than 10 Sonogashira C-C coupling reactions (R≡CH + R'X → R≡R'; X = Br, I; R' = aryl or vinyl). The coupling between iodobenzene and phenylacetylene on Pd 1 /TiO 2 exhibits a turnover rate of 51.0 diphenylacetylene molecules per anchored Pd atom per minute at 60 °C, with a low apparent activation barrier of 28.9 kJ/mol and no cost of catalyst separation. DFT calculations suggest that the single Pd atom bonded to surface lattice oxygen atoms of TiO 2 acts as a site to dissociatively chemisorb iodobenzene to generate an intermediate phenyl, which then couples with phenylacetylenyl bound to a surface oxygen atom. This coupling of phenyl adsorbed on Pd 1 and phenylacetylenyl bound to O ad of TiO 2 forms the product molecule, diphenylacetylene.

  12. Spin valve effect in single-atom contacts

    International Nuclear Information System (INIS)

    Ziegler, M; Neel, N; Berndt, R; Lazo, C; Ferriani, P; Heinze, S; Kroeger, J

    2011-01-01

    Magnetic single-atom contacts have been controllably fabricated with a scanning tunnelling microscope. A voltage-dependent spin valve effect with conductance variations of ∼40% is reproducibly observed from contacts comprising a Cr-covered tip and Co and Cr atoms on ferromagnetic nanoscale islands on W(110) with opposite magnetization. The spin-dependent conductances are interpreted from first-principles calculations in terms of the orbital character of the relevant electronic states of the junction.

  13. Application of GRID to Foreign Atom Localization in Single Crystals.

    Science.gov (United States)

    Karmann, A; Wesch, W; Weber, B; Börner, H G; Jentschel, M

    2000-01-01

    The application of GRID (Gamma Ray Induced Doppler broadening) spectroscopy to the localization of foreign atoms in single crystals is demonstrated on erbium in YAP. By the investigation of the Doppler broadened secondary γ line for two crystalline directions, the Er was determined to be localized on the Y site. Conditions for the nuclear parameters of the impurity atoms used for the application of GRID spectroscopy are discussed.

  14. Protection of solar array blankets from attack by low earth orbital atomic oxygen

    Science.gov (United States)

    Banks, Bruce A.; Mirtich, Michael J.; Rutledge, Sharon K.; Nahra, Henry K.

    1985-01-01

    The ram impact of low earth orbital atomic oxygen causes oxidation of spacecraft materials including polymers such as polyimides. The rate of oxidation is sufficiently high to potentially compromise the long term durability of Kapton solar array blankets. Ion beam sputter deposited atomic oxygen protective coatings of aluminum oxide, silicon dioxide, and codeposited silicon dioxide with small amounts of polytetrafluoroethylene were evaluated both in RF plasma asher tests and in low earth orbit. Deposition techniques, mechanical properties, and atomic oxygen protection performance are presented.

  15. Manipulation of single neutral atoms in optical lattices

    International Nuclear Information System (INIS)

    Zhang Chuanwei; Das Sarma, S.; Rolston, S. L.

    2006-01-01

    We analyze a scheme to manipulate quantum states of neutral atoms at individual sites of optical lattices using focused laser beams. Spatial distributions of focused laser intensities induce position-dependent energy shifts of hyperfine states, which, combined with microwave radiation, allow selective manipulation of quantum states of individual target atoms. We show that various errors in the manipulation process are suppressed below 10 -4 with properly chosen microwave pulse sequences and laser parameters. A similar idea is also applied to measure quantum states of single atoms in optical lattices

  16. Ballistic Anisotropic Magnetoresistance of Single-Atom Contacts.

    Science.gov (United States)

    Schöneberg, J; Otte, F; Néel, N; Weismann, A; Mokrousov, Y; Kröger, J; Berndt, R; Heinze, S

    2016-02-10

    Anisotropic magnetoresistance, that is, the sensitivity of the electrical resistance of magnetic materials on the magnetization direction, is expected to be strongly enhanced in ballistic transport through nanoscale junctions. However, unambiguous experimental evidence of this effect is difficult to achieve. We utilize single-atom junctions to measure this ballistic anisotropic magnetoresistance (AMR). Single Co and Ir atoms are deposited on domains and domain walls of ferromagnetic Fe layers on W(110) to control their magnetization directions. They are contacted with nonmagnetic tips in a low-temperature scanning tunneling microscope to measure the junction conductances. Large changes of the magnetoresistance occur from the tunneling to the ballistic regime due to the competition of localized and delocalized d-orbitals, which are differently affected by spin-orbit coupling. This work shows that engineering the AMR at the single atom level is feasible.

  17. Vibrational Relaxation of Ground-State Oxygen Molecules With Atomic Oxygen and Carbon Dioxide

    Science.gov (United States)

    Saran, D. V.; Pejakovic, D. A.; Copeland, R. A.

    2008-12-01

    Vertical water vapor profiles are key to understanding the composition and energy budget in the mesosphere and lower thermosphere (MLT). The SABER instrument onboard NASA's TIMED satellite measures such profiles by detecting H2O(ν2) emission in the 6.8 μm region. Collisional deactivation of vibrationally excited O2, O2(X3Σ-g, υ = 1) + H2O ↔ O2(X3Σ-g, υ = 0) + H2O(ν2), is an important source of H2O(ν2). A recent study has identified two other processes involving excited O2 that control H2O(ν2) population in the MLT: (1) the vibrational-translational (V-T) relaxation of O2(X3Σ-g, υ = 1) level by atomic oxygen and (2) the V-V exchange between CO2 and excited O2 molecules [1]. Over the past few years SRI researchers have measured the atomic oxygen removal process mentioned above at room temperature [2] and 240 K [3]. These measurements have been incorporated into the models for H2O(ν2) emission [1]. Here we report laboratory studies of the collisional removal of O2(X3Σ-g, υ = 1) by O(3P) at room temperature and below, reaching temperatures relevant to mesopause and polar summer MLT (~150 K). Instead of directly detecting the O2(X3Σ-g, υ = 1) population, a technically simpler approach is used in which the υ = 1 level of the O2(a1Δg) state is monitored. A two-laser method is employed, in which the pulsed output of the first laser near 285 nm photodissociates ozone to produce atomic oxygen and O2(a1Δg, υ = 1), and the pulsed output of the second laser detects O2(a1Δg, υ = 1) via resonance-enhanced multiphoton ionization. With ground-state O2 present, owing to the rapid equilibration of the O2(X3Σ-g, υ = 1) and O2(a1Δg, υ = 1) populations via the processes O2(a1Δg, υ = 1) + O2(X3Σ-g, υ = 0) ↔ O2(a1Δg, υ = 0) + O2(X3Σ-g, υ = 1), the information on the O2(X3Σ-g, υ = 1) kinetics is extracted from the O2(a1Δg, υ = 1) temporal evolution. In addition, measurements of the removal of O2(X3Σ-g, υ = 1) by CO2 at room temperature will also

  18. Absolute rate parameters for the reaction of ground state atomic oxygen with dimethyl sulfide and episulfide

    Science.gov (United States)

    Lee, J. H.; Timmons, R. B.; Stief, L. J.

    1976-01-01

    It is pointed out that the investigated reaction of oxygen with dimethyl sulfide may play an important role in photochemical smog formation and in the chemical evolution of dense interstellar clouds. Kinetic data were obtained with the aid of the flash photolysis-resonance fluorescence method. The photodecomposition of molecular oxygen provided the oxygen atoms for the experiments. The decay of atomic oxygen was studied on the basis of resonance fluorescence observations. Both reactions investigated were found to be fast processes. A negative temperature dependence of the rate constants for reactions with dimethyl sulfide was observed.

  19. Single atom self-diffusion on nickel surfaces

    International Nuclear Information System (INIS)

    Tung, R.T.; Graham, W.R.

    1980-01-01

    Results of a field ion microscope study of single atom self-diffusion on Ni(311), (331), (110), (111) and (100) planes are presented, including detailed information on the self-diffusion parameters on (311), (331), and (110) surfaces, and activation energies for diffusion on the (111), and (100) surfaces. Evidence is presented for the existence of two types of adsorption site and surface site geometry for single nickel atoms on the (111) surface. The presence of adsorbed hydrogen on the (110), (311), and (331) surfaces is shown to lower the onset temperature for self-diffusion on these planes. (orig.)

  20. Strong paramagnon scattering in single atom Pd contacts

    DEFF Research Database (Denmark)

    Schendel, V.; Barreteau, Cyrille; Brandbyge, Mads

    2017-01-01

    Among all transition metals, palladium (Pd) has the highest density of states at the Fermi energy at low temperatures yet does not fulfill the Stoner criterion for ferromagnetism. However, close proximity to magnetism renders it a nearly ferromagnetic metal, which hosts paramagnons, strongly damp...... adatoms locally induce magnetic order, and transport through single cobalt atoms remains unaffected by paramagnon scattering, consistent with theory....... spin fluctuations. Here we compare the total and the differential conductance of monoatomic contacts consisting of single Pd and cobalt (Co) atoms between Pd electrodes. Transport measurements reveal a conductance for Co of 1G(0), while for Pd we obtain 2G(0). The differential conductance of monoatomic...

  1. Thermally stable single-atom platinum-on-ceria catalysts via atom trapping

    Energy Technology Data Exchange (ETDEWEB)

    Jones, John; Xiong, Haifeng; DelaRiva, Andrew; Peterson, Eric J.; Pham, Hien; Challa, Sivakumar R.; Qi, Gongshin; Oh, Se H.; Wiebenga, Michelle H.; Pereira Hernandez, Xavier I.; Wang, Yong; Datye, Abhaya K.

    2016-07-08

    Catalysts based on single atoms of scarce precious metals can lead to more efficient use through enhanced reactivity and selectivity. However, single atoms on catalyst supports can be mobile and aggregate into nanoparticles when heated at elevated temperatures. High temperatures are detrimental to catalyst performance unless these mobile atoms can be trapped. We used ceria powders having similar surface areas but different exposed surface facets. When mixed with a platinum/ aluminum oxide catalyst and aged in air at 800°C, the platinum transferred to the ceria and was trapped. Polyhedral ceria and nanorods were more effective than ceria cubes at anchoring the platinum. Performing synthesis at high temperatures ensures that only the most stable binding sites are occupied, yielding a sinter-resistant, atomically dispersed catalyst.

  2. Inactivation of Bacillus atrophaeus and of Aspergillus niger using beams of argon ions, of oxygen molecules and of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Raballand, V; Benedikt, J; Keudell, A von [Research Group Reactive Plasmas, Ruhr-Universitaet Bochum, 44780 Bochum (Germany); Wunderlich, J [Fraunhofer Institut for Process Engineering and Packaging, Giggenhauser Strasse 35, 85354 Freising (Germany)], E-mail: Achim.vonKeudell@rub.de

    2008-06-07

    The inactivation of spores of Bacillus atrophaeus and of Aspergillus niger using beams of argon ions, of oxygen molecules and of oxygen atoms is studied. Thereby, the conditions occurring in oxygen containing low pressure plasmas are mimicked and fundamental inactivation mechanisms can be revealed. It is shown that the impact of O atoms has no effect on the viability of the spores and that no etching of the spore coat occurs up to an O atom fluence of 3.5 x 10{sup 19} cm{sup -2}. The impact of argon ions with an energy of 200 eV does not cause significant erosion for fluences up to 1.15 x 10{sup 18} cm{sup -2}. However, the combined impact of argon ions and oxygen molecules or atoms causes significant etching of the spores and significant inactivation. This is explained by the process of chemical sputtering, where an ion-induced defect at the surface of the spore reacts with either the incident bi-radical O{sub 2} or with an incident O atom. This leads to the formation of CO, CO{sub 2} and H{sub 2}O and thus to erosion.

  3. Atomic Oxygen Treatment and Its Effect on a Variety of Artist's Media

    Science.gov (United States)

    Miller, Sharon K. R.; Banks, Bruce A.; Waters, Deborah L.

    2005-01-01

    Atomic oxygen treatment has been investigated as an unconventional option for art restoration where conventional methods have not been effective. Exposure of surfaces to atomic oxygen was first performed to investigate the durability of materials in the low Earth orbit environment of space. The use of the ground based environmental simulation chambers, developed for atomic oxygen exposure testing, has been investigated in collaboration with conservators at a variety of institutions, as a method to clean the surfaces of works of art. The atomic oxygen treatment technique has been evaluated as a method to remove soot and char from the surface of oil paint (both varnished and unvarnished), watercolors, acrylic paint, and fabric as well as the removal of graffiti and other marks from surfaces which are too porous to lend themselves to conventional solvent removal techniques. This paper will discuss the treatment of these surfaces giving an example of each and a discussion of the treatment results.

  4. Atomic oxygen fine-structure splittings with tunable far-infrared spectroscopy

    Science.gov (United States)

    Zink, Lyndon R.; Evenson, Kenneth M.; Matsushima, Fusakazu; Nelis, Thomas; Robinson, Ruth L.

    1991-01-01

    Fine-structure splittings of atomic oxygen (O-16) in the ground state have been accurately measured using a tunable far-infrared spectrometer. The 3P0-3pl splitting is 2,060,069.09 (10) MHz, and the 3Pl-3P2 splitting is 4,744,777.49 (16) MHz. These frequencies are important for measuring atomic oxygen concentration in earth's atmosphere and the interstellar medium.

  5. Adsorption of oxygen atom on MoSi{sub 2} (110) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sun, S.P., E-mail: sunshunping@jsut.edu.cn [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Li, X.P.; Wang, H.J. [School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Jiang, Y., E-mail: yjiang@csu.edu.cn [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China); Yi, D.Q. [School of Materials Science and Engineering, and Key Laboratory for Non-ferrous Materials of Ministry of Education, Central South University, Changsha 410083 (China)

    2016-09-30

    Highlights: • The adsorption of oxygen atom on MoSi{sub 2} (110) surface was studied systematically. • The stability of MoSi{sub 2} low-index surfaces was also investigated. • The preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site. - Abstract: The adsorption energy, structural relaxation and electronic properties of oxygen atom on MoSi{sub 2} (110) surface have been investigated by first-principles calculations. The energetic stability of MoSi{sub 2} low-index surfaces was analyzed, and the results suggested that MoSi{sub 2} (110) surface had energetically stability. The site of oxygen atom adsorbed on MoSi{sub 2} (110) surface were discussed, and the results indicated that the preference adsorption site of MoSi{sub 2} (110) surface for oxygen atom was H site (hollow position). Our calculated work should help to understand further the interaction between oxygen atoms and MoSi{sub 2} surfaces.

  6. Adsorption of atomic nitrogen and oxygen on [Formula: see text] surface: a density functional theory study.

    Science.gov (United States)

    Breedon, M; Spencer, M J S; Yarovsky, I

    2009-04-08

    The adsorption of atomic nitrogen and oxygen on the ([Formula: see text]) crystal face of zinc oxide (ZnO) was studied. Binding energies, workfunction changes, vibrational frequencies, charge density differences and electron localization functions were calculated. It was elucidated that atomic oxygen binds more strongly than nitrogen, with the most stable [Formula: see text] structure exhibiting a binding energy of -2.47 eV, indicating chemisorption onto the surface. Surface reconstructions were observed for the most stable minima of both atomic species. Positive workfunction changes were calculated for both adsorbed oxygen and nitrogen if the adsorbate interacted with zinc atoms. Negative workfunction changes were calculated when the adsorbate interacted with both surface oxygen and zinc atoms. Interactions between the adsorbate and the surface zinc atoms resulted in ionic-type bonding, whereas interactions with oxygen atoms were more likely to result in the formation of covalent-type bonding. The positive workfunction changes correlate with an experimentally observed increase in resistance of ZnO conductometric sensor devices.

  7. Atomic-Scale Control of Electron Transport through Single Molecules

    DEFF Research Database (Denmark)

    Wang, Y. F.; Kroger, J.; Berndt, R.

    2010-01-01

    Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure...

  8. Coherent excitation of a single atom to a Rydberg state

    DEFF Research Database (Denmark)

    Miroshnychenko, Yevhen; Gaëtan, Alpha; Evellin, Charles

    2010-01-01

    We present the coherent excitation of a single Rubidium atom to the Rydberg state 58d3/2 using a two-photon transition. The experimental setup is described in detail, as are experimental techniques and procedures. The coherence of the excitation is revealed by observing Rabi oscillations between...

  9. Development of the chemical oxygen-iodine laser (COIL) with chemical generation of atomic iodine

    Czech Academy of Sciences Publication Activity Database

    Kodymová, Jarmila; Špalek, Otomar; Jirásek, Vít; Čenský, Miroslav; Hager, G. D.

    2003-01-01

    Roč. 77, - (2003), s. 331-336 ISSN 0947-8396 R&D Projects: GA MŠk LN00A100 Institutional research plan: CEZ:AV0Z1010914 Keywords : atomic iodine * atomic chlorine * chemical oxygen-iodine laser(COIL) Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.220, year: 2003

  10. The hydrogen-atom environment of the ether oxygen atom in crystal structures of some representative muscarinic agonists

    Science.gov (United States)

    Kroon, J.; Scherrenberg, R. L.; Kooijman, H.; Kanters, J. A.

    1990-06-01

    The hypothesis that the ether oxygen atom in muscarinic agonists acts as a hydrogen-bond acceptor is supported by evidence from crystallographic data. The same evidence suggests that in such interactions N +CH⋯O bonds donated by the ligand to the receptor may be involved.

  11. Magnetism of a relaxed single atom vacancy in graphene

    Science.gov (United States)

    Wu, Yunyi; Hu, Yonghong; Xue, Li; Sun, Tieyu; Wang, Yu

    2018-04-01

    It has been suggested in literature that defects in graphene (e.g. absorbed atoms and vacancies) may induce magnetizations due to unpaired electrons. The nature of magnetism, i.e. ferromagnetic or anti-ferromagnetic, is dependent on a number of structural factors including locations of magnetic moments and lattice symmetry. In the present work we investigated the influence of a relaxed single atom vacancy in garphnene on magnetization which were obtained under different pinning boundary conditions, aiming to achieve a better understanding of the magnetic behaviors of graphene. Through first principles calculations, we found that major spin polarizations occur on atoms that deviate slightly from their original lattice positions, and pinning boundaries could also affect the relaxed positions of atoms and determine which atom(s) would become the main source(s) of total spin polarizations and magnetic moments. When the pinning boundary condition is free, a special non-magnetic and semi-conductive structure may be obtained, suggesting that magnetization should more readily occur under pinning boundary conditions.

  12. Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor

    Science.gov (United States)

    2016-03-10

    AFRL-AFOSR-VA-TR-2016-0126 DURIP 09) AN ATOMIC OXYGEN FLUX MONITOR FOR USE IN THE SEARCH FOR NEW AND BETT Malcolm Beasley LELAND STANFORD JUNIOR UNIV...Grant # FA9550-01-1-0433 M. R. Beasley, PI Stanford University Project Title: Atomic Oxygen (AO) and Nitrogen (AN) In-situ Flux Sensor...with its ability to achieve controlled layer-by-layer growth on the atomic level. In the case of oxides and nitrides, one problem has been the lack

  13. Single-Atom Transistor as a Precise Magnetic Field Sensor

    Science.gov (United States)

    Jachymski, Krzysztof; Wasak, Tomasz; Idziaszek, Zbigniew; Julienne, Paul S.; Negretti, Antonio; Calarco, Tommaso

    2018-01-01

    Feshbach resonances, which allow for tuning the interactions of ultracold atoms with an external magnetic field, have been widely used to control the properties of quantum gases. We propose a scheme for using scattering resonances as a probe for external fields, showing that by carefully tuning the parameters it is possible to reach a 10-5 G (or nT) level of precision with a single pair of atoms. We show that, for our collisional setup, it is possible to saturate the quantum precision bound with a simple measurement protocol.

  14. Growth control of Saccharomyces cerevisiae through dose of oxygen atoms

    Science.gov (United States)

    Hashizume, Hiroshi; Ohta, Takayuki; Hori, Masaru; Ito, Masafumi

    2015-08-01

    To investigate the dose-dependent effects of neutral oxygen radicals on the proliferation as well as the inactivation of microorganisms, we treated suspensions of budding yeast cells with oxygen radicals using an atmospheric-pressure oxygen radical source, varying the fluxes of O(3Pj) from 1.3 × 1016 to 2.3 × 1017 cm-2 s-1. Proliferation was promoted at doses of O(3Pj) ranging from 6 × 1016 to 2 × 1017 cm-3, and suppressed at doses ranging from 3 × 1017 to 1 × 1018 cm-3; cells were inactivated by O(3Pj) doses exceeding 1 × 1018 cm-3, even when the flux was varied over the above flux range. These results showed that the growth of cells was regulated primarily in response to the total dose of O(3Pj).

  15. Laser supported detonation wave source of atomic oxygen for aerospace material testing

    Science.gov (United States)

    Krech, Robert H.; Caledonia, George E.

    1990-01-01

    A pulsed high-flux source of nearly monoenergetic atomic oxygen was developed to perform accelerated erosion testing of spacecraft materials in a simulated low-earth orbit (LEO) environment. Molecular oxygen is introduced into an evacuated conical expansion nozzle at several atmospheres pressure through a pulsed molecular beam valve. A laser-induced breakdown is generated in the nozzle throat by a pulsed CO2 TEA laser. The resulting plasma is heated by the ensuing laser-supported detonation wave, and then it rapidly expands and cools. An atomic oxygen beam is generated with fluxes above 10 to the 18th atoms per pulse at 8 + or - 1.6 km/s with an ion content below 1 percent for LEO testing. Materials testing yielded the same surface oxygen enrichment in polyethylene samples as observed on the STS mission, and scanning electron micrographs of the irradiated polymer surfaces showed an erosion morphology similar to that obtained on low earth orbit.

  16. Fluorescence measurement of atomic oxygen concentration in a dielectric barrier discharge

    Science.gov (United States)

    Dvořák, P.; Mrkvičková, M.; Obrusník, A.; Kratzer, J.; Dědina, J.; Procházka, V.

    2017-06-01

    Concentration of atomic oxygen was measured in a volume dielectric barrier discharge (DBD) ignited in mixtures of Ar + O2(+ H2) at atmospheric pressure. Two-photon absorption laser induced fluorescence (TALIF) of atomic oxygen was used and this method was calibrated by TALIF of Xe in a mixture of argon and a trace of xenon. The calibration was performed at atmospheric pressure and it was shown that quenching by three-body collisions has negligible effect on the life time of excited Xe atoms. The concentration of atomic oxygen in the DBD was around 1021 m-3 and it was stable during the whole discharge period. The concentration did not depend much on the electric power delivered to the discharge provided that the power was sufficiently high so that the visible discharge filled the whole reactor volume. Both the addition of hydrogen or replacing of argon by helium led to a significant decrease of atomic oxygen concentration. The TALIF measurements of O concentration levels in the DBD plasma performed in this work are made use of e.g. in the field analytical chemistry. The results contribute to understanding the processes of analyte hydride preconcentration and subsequent atomization in the field of trace element analysis where DBD plasma atomizers are employed.

  17. ATOMIC POSITIONS ON OXYGEN-COVERED CU(110) SURFACES

    NARCIS (Netherlands)

    DORENBOS, G; BREEMAN, M; BOERMA, DO

    The reconstructed Cu(110)-p(2 x 1)O and Cu(110)-c(6 x 2)O surfaces were studied using low-energy ion scattering combined with time of flight. Azimuthal scans were measured with 6 keV Ar ions for recoiling O, scattered Ar and recoiling Cu atoms. Part of the scans were analysed using a newly developed

  18. Atmospheric Pressure Method and Apparatus for Removal of Organic Matter with Atomic and Ionic Oxygen

    Science.gov (United States)

    Banks, Bruce A. (Inventor); Rutledge, Sharon K. (Inventor)

    1997-01-01

    A gas stream containing ionic and atomic oxygen in inert gas is used to remove organic matter from a substrate. The gas stream is formed by flowing a mixture of gaseous oxygen in an inert gas such as helium at atmospheric pressure past a high voltage, current limited, direct current arc which contacts the gas mixture and forms the ionic and atomic oxygen. The arc is curved at the cathode end and the ionic oxygen formed by the arc nearer to the anode end of the arc is accelerated in a direction towards the cathode by virtue of its charge. The relatively high mass to charge ratio of the ionic oxygen enables at least some of it to escape the arc before contacting the cathode and it is directed onto the substrate. This is useful for cleaning delicate substrates such as fine and historically important paintings and delicate equipment and the like.

  19. Single-atom-resolved fluorescence imaging of an atomic Mott insulator

    DEFF Research Database (Denmark)

    Sherson, Jacob; Weitenberg, Christof; Andres, Manuel

    2010-01-01

    in situ images of a quantum fluid in which each underlying quantum particle is detected. Here we report fluorescence imaging of strongly interacting bosonic Mott insulators in an optical lattice with single-atom and single-site resolution. From our images, we fully reconstruct the atom distribution...... the high-entropy rings separating them, even though their width is of the order of just a single lattice site. Furthermore, we show how a Mott insulator melts with increasing temperature, owing to a proliferation of local defects. The ability to resolve individual lattice sites directly opens up new...... avenues for the manipulation, analysis and applications of strongly interacting quantum gases on a lattice. For example, one could introduce local perturbations or access regions of high entropy, a crucial requirement for the implementation of novel cooling schemes 3 ....

  20. A current-driven single-atom memory.

    Science.gov (United States)

    Schirm, C; Matt, M; Pauly, F; Cuevas, J C; Nielaba, P; Scheer, E

    2013-09-01

    The possibility of fabricating electronic devices with functional building blocks of atomic size is a major driving force of nanotechnology. The key elements in electronic circuits are switches, usually realized by transistors, which can be configured to perform memory operations. Electronic switches have been miniaturized all the way down to the atomic scale. However, at such scales, three-terminal devices are technically challenging to implement. Here we show that a metallic atomic-scale contact can be operated as a reliable and fatigue-resistant two-terminal switch. We apply a careful electromigration protocol to toggle the conductance of an aluminium atomic contact between two well-defined values in the range of a few conductance quanta. Using the nonlinearities of the current-voltage characteristics caused by superconductivity in combination with molecular dynamics and quantum transport calculations, we provide evidence that the switching process is caused by the reversible rearrangement of single atoms. Owing to its hysteretic behaviour with two distinct states, this two-terminal switch can be used as a non-volatile information storage element.

  1. Nanoline templates for single atom wires on Si(001)

    Energy Technology Data Exchange (ETDEWEB)

    Koester, Sigrun A.; Owen, James H.G.; Bianco, Francois; Mazur, Daniel; Renner, Chrisoph [Universite de Geneve, Section Physique/DPMC, Geneve (Switzerland); Rodriguez-Prieto, Alvaro; Bowler, David R. [London Centre for Nanotechnology (LCN), University College London (United Kingdom)

    2010-07-01

    Low dimensional structures are of wide scientific and technological interest. The physics of single atom metallic wires is already described in detail by theory, but a more systematic experimental verification is still desirable. The experimental problems are mainly caused by the difficulties of growing electronically isolated wires which is necessary to test the expected properties from existing theories. Here we introduce templates on a Si(001) surface which enable the growth of self-assembled single atom wires on top of them. The main template consists of a Si reconstruction called the Haiku structure which develops underneath self-assembled Bi nanowires. By hydrogenation the Si surface can be passivated and additionally the Bi dimers are stripped off while the underlying reconstruction of the Si surface remains intact. In addition the Bi nanowire by itself can be considered as a template.

  2. Single-atom reversible recording at room temperature

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Stokbro, Kurt; Lin, Rong

    2001-01-01

    investigate two important aspects of using this single-atom switch as a memory device. First, the switching is electron stimulated, and through detailed modelling the switching probability per electron is accurately deduced. Second, we have investigated the possibilities for desorbing single hydrogen atoms...... to construct ordered arrays of switches to manufacture a memory device. Two desorption mechanisms have been considered: the well known electron-induced desorption at negative sample bias and a novel mechanism probably involving elastic deformation of the tip. For both mechanisms mechanical stability of the STM...... is of crucial importance. With our equipment it was possible to create a row of four switches in a controlled way.(Some figures in this article are in colour only in the electronic version)....

  3. Unsupported single-atom-thick copper oxide monolayers

    Science.gov (United States)

    Yin, Kuibo; Zhang, Yu-Yang; Zhou, Yilong; Sun, Litao; Chisholm, Matthew F.; Pantelides, Sokrates T.; Zhou, Wu

    2017-03-01

    Oxide monolayers may present unique opportunities because of the great diversity of properties of these materials in bulk form. However, reports on oxide monolayers are still limited. Here we report the formation of single-atom-thick copper oxide layers with a square lattice both in graphene pores and on graphene substrates using aberration-corrected scanning transmission electron microscopy. First-principles calculations find that CuO is energetically stable and its calculated lattice spacing matches well with the measured value. Furthermore, free-standing copper oxide monolayers are predicted to be semiconductors with band gaps ∼3 eV. The new wide-bandgap single-atom-thick copper oxide monolayers usher a new frontier to study the highly diverse family of two-dimensional oxides and explore their properties and their potential for new applications.

  4. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  5. Atomic Oxygen Removes Varnish And Lacquer From Old Paintings

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Cales, Michael

    1996-01-01

    Dry and relatively nondestructive plasma process found effective in removing protective coats from old paintings. Process generates monatomic oxygen, which reacts with varnish, lacquer, polyurethane, acrylic, and other organic coating materials; reactions produce mostly carbon monoxide and water vapor, then simply pumped away by vacuum system in which plasma generated. Does not attack oxide-based pigments in underlying paint layers, and brush-stroke marks remain undisturbed.

  6. Growth control of Saccharomyces cerevisiae through dose of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Hashizume, Hiroshi, E-mail: hashizume@plasma.engg.nagoya-u.ac.jp [Plasma Medical Science Global Innovation Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601 (Japan); Department of Electrical and Electronic Engineering, Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya 468-8502 (Japan); Ohta, Takayuki; Ito, Masafumi [Department of Electrical and Electronic Engineering, Faculty of Science and Technology, Meijo University, 1-501 Shiogamaguchi, Tempaku-ku, Nagoya 468-8502 (Japan); Hori, Masaru [Plasma Medical Science Global Innovation Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601 (Japan)

    2015-08-31

    To investigate the dose-dependent effects of neutral oxygen radicals on the proliferation as well as the inactivation of microorganisms, we treated suspensions of budding yeast cells with oxygen radicals using an atmospheric-pressure oxygen radical source, varying the fluxes of O({sup 3}P{sub j}) from 1.3 × 10{sup 16} to 2.3 × 10{sup 17 }cm{sup −2} s{sup −1}. Proliferation was promoted at doses of O({sup 3}P{sub j}) ranging from 6 × 10{sup 16} to 2 × 10{sup 17 }cm{sup −3}, and suppressed at doses ranging from 3 × 10{sup 17} to 1 × 10{sup 18 }cm{sup −3}; cells were inactivated by O({sup 3}P{sub j}) doses exceeding 1 × 10{sup 18 }cm{sup −3}, even when the flux was varied over the above flux range. These results showed that the growth of cells was regulated primarily in response to the total dose of O({sup 3}P{sub j})

  7. Atomic force microscopy for the examination of single cell rheology.

    Science.gov (United States)

    Okajima, Takaharu

    2012-11-01

    Rheological properties of living cells play important roles in regulating their various biological functions. Therefore, measuring cell rheology is crucial for not only elucidating the relationship between the cell mechanics and functions, but also mechanical diagnosis of single cells. Atomic force microscopy (AFM) is becoming a useful technique for single cell diagnosis because it allows us to measure the rheological properties of adherent cells at any region on the surface without any modifications. In this review, we summarize AFM techniques for examining single cell rheology in frequency and time domains. Recent applications of AFM for investigating the statistical analysis of single cell rheology in comparison to other micro-rheological techniques are reviewed, and we discuss what specificity and universality of cell rheology are extracted using AFM.

  8. Rapid hydrogen and oxygen atom transfer by a high-valent nickel-oxygen species

    NARCIS (Netherlands)

    Corona, Teresa; Draksharapu, Apparao; Padamati, Sandeep K; Gamba, Ilaria; Martin-Diaconescu, Vlad; Acuña-Parés, Ferran; Browne, Wesley R; Company, Anna

    2016-01-01

    Terminal high-valent metal-oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed towards the characterization of the biologically relevant terminal manganese-oxygen and

  9. The time variation of atomic oxygen emission around Io during a volcanic event observed with Hisaki/EXCEED

    Science.gov (United States)

    Koga, Ryoichi; Tsuchiya, Fuminori; Kagitani, Masato; Sakanoi, Takeshi; Yoneda, Mizuki; Yoshioka, Kazuo; Kimura, Tomoki; Murakami, Go; Yamazaki, Atsushi; Yoshikawa, Ichiro; Smith, H. Todd

    2018-01-01

    Io has an atmosphere produced by volcanism and sublimation of frosts deposited around active volcanoes. However, the time variation of atomic oxygen escaping Io's atmosphere is not well known. In this paper, we show a significant increase in atomic oxygen around Io during a volcanic event. Brightening of Io's extended sodium nebula was observed in the spring of 2015. We used the Hisaki satellite to investigate the time variation of atomic oxygen emission around Io during the same period. This investigation reveals that the duration of atomic oxygen brightness increases from a volcanically quiet level to a maximum level during the same approximate time period of 30 days as the observed sodium brightness. On the other hand, the recovery of the atomic oxygen brightness from the maximum to the quiet level (60 days) was longer than that of the sodium nebula decreasing (40 days). Additionally, a dawn-dusk asymmetry of the atomic oxygen emission is observed.

  10. Trapping cold molecules and atoms: Simultaneous magnetic deceleration and trapping of cold molecular Oxygen with Lithium atoms

    Science.gov (United States)

    Akerman, Nitzan; Karpov, Michael; Segev, Yair; Bibelink, Natan; Narevicius, Julia; Narevicius, Edvardas

    2016-05-01

    Cooling molecules to the ultra-cold regime remains a major challenge in the growing field of cold molecules. The molecular internal degrees of freedom complicate the effort of direct application of laser cooling. An alternative and general path towards ultra-cold molecules relies on sympathetic cooling via collisions with laser-cooled atoms. Here, we demonstrate the first step towards application of sympathetic cooling by co-trapping of molecular Oxygen with Lithium atoms in a magnetic trap at a temperature of 300 mK. Our experiment begins with a pulsed supersonic beam which is a general source for cold high-flux atomic and molecular beams. Although the supersonic expansion efficiently cools the beam to temperatures below 1K, it also accelerates the beam to high mean velocities. We decelerate a beam of O2 in a moving magnetic trap decelerator from 375 m/s to a stop. We entrained the molecular beam with Li atoms by laser ablation prior to deceleration. The deceleration ends with loading the molecules and atoms into a static quadrupole trap, which is generated by two permanent magnets. We estimate 109 trapped molecules with background limited lifetime of 0.6 Sec. Our achievement enables application of laser cooling on the Li atoms in order to sympathetically cool the O2.

  11. Use of O2 airglow for calibrating direct atomic oxygen measurements from sounding rockets

    Directory of Open Access Journals (Sweden)

    G. Witt

    2009-12-01

    Full Text Available Accurate knowledge about the distribution of atomic oxygen is crucial for many studies of the mesosphere and lower thermosphere. Direct measurements of atomic oxygen by the resonance fluorescence technique at 130 nm have been made from many sounding rocket payloads in the past. This measurement technique yields atomic oxygen profiles with good sensitivity and altitude resolution. However, accuracy is a problem as calibration and aerodynamics make the quantitative analysis challenging. Most often, accuracies better than a factor 2 are not to be expected from direct atomic oxygen measurements. As an example, we present results from the NLTE (Non Local Thermodynamic Equilibrium sounding rocket campaign at Esrange, Sweden, in 1998, with simultaneous O2 airglow and O resonance fluorescence measurements. O number densities are found to be consistent with the nightglow analysis, but only within the uncertainty limits of the resonance fluorescence technique. Based on these results, we here describe how better atomic oxygen number densities can be obtained by calibrating direct techniques with complementary airglow photometer measurements and detailed aerodynamic analysis. Night-time direct O measurements can be complemented by photometric detection of the O2 (b1∑g+−X3∑g- Atmospheric Band at 762 nm, while during daytime the O2 (a1Δg−X3∑g- Infrared Atmospheric Band at 1.27 μm can be used. The combination of a photometer and a rather simple resonance fluorescence probe can provide atomic oxygen profiles with both good accuracy and good height resolution.

  12. Use of Atomic Oxygen for Increased Water Contact Angles of Various Polymers for Biomedical Applications

    Science.gov (United States)

    deGroh, Kim; Berger, Lauren; Roberts, Lily

    2009-01-01

    The purpose of this study was to determine the effect of atomic oxygen (AO) exposure on the hydrophilicity of nine different polymers for biomedical applications. Atomic oxygen treatment can alter the chemistry and morphology of polymer surfaces, which may increase the adhesion and spreading of cells on Petri dishes and enhance implant growth. Therefore, nine different polymers were exposed to atomic oxygen and water-contact angle, or hydrophilicity, was measured after exposure. To determine whether hydrophilicity remains static after initial atomic oxygen exposure, or changes with higher fluence exposures, the contact angles between the polymer and water droplet placed on the polymer s surface were measured versus AO fluence. The polymers were exposed to atomic oxygen in a 100-W, 13.56-MHz radio frequency (RF) plasma asher, and the treatment was found to significantly alter the hydrophilicity of non-fluorinated polymers. Pristine samples were compared with samples that had been exposed to AO at various fluence levels. Minimum and maximum fluences for the ashing trials were set based on the effective AO erosion of a Kapton witness coupon in the asher. The time intervals for ashing were determined by finding the logarithmic values of the minimum and maximum fluences. The difference of these two values was divided by the desired number of intervals (ideally 10). The initial desired fluence was then multiplied by this result (2.37), as was each subsequent desired fluence. The flux in the asher was determined to be approximately 3.0 x 10(exp 15) atoms/sq cm/sec, and each polymer was exposed to a maximum fluence of 5.16 x 10(exp 20) atoms/sq cm.

  13. Probing quantum coherence in single-atom electron spin resonance

    Science.gov (United States)

    Willke, Philip; Paul, William; Natterer, Fabian D.; Yang, Kai; Bae, Yujeong; Choi, Taeyoung; Fernández-Rossier, Joaquin; Heinrich, Andreas J.; Lutz, Christoper P.

    2018-01-01

    Spin resonance of individual spin centers allows applications ranging from quantum information technology to atomic-scale magnetometry. To protect the quantum properties of a spin, control over its local environment, including energy relaxation and decoherence processes, is crucial. However, in most existing architectures, the environment remains fixed by the crystal structure and electrical contacts. Recently, spin-polarized scanning tunneling microscopy (STM), in combination with electron spin resonance (ESR), allowed the study of single adatoms and inter-atomic coupling with an unprecedented combination of spatial and energy resolution. We elucidate and control the interplay of an Fe single spin with its atomic-scale environment by precisely tuning the phase coherence time T2 using the STM tip as a variable electrode. We find that the decoherence rate is the sum of two main contributions. The first scales linearly with tunnel current and shows that, on average, every tunneling electron causes one dephasing event. The second, effective even without current, arises from thermally activated spin-flip processes of tip spins. Understanding these interactions allows us to maximize T2 and improve the energy resolution. It also allows us to maximize the amplitude of the ESR signal, which supports measurements even at elevated temperatures as high as 4 K. Thus, ESR-STM allows control of quantum coherence in individual, electrically accessible spins. PMID:29464211

  14. Probing quantum coherence in single-atom electron spin resonance.

    Science.gov (United States)

    Willke, Philip; Paul, William; Natterer, Fabian D; Yang, Kai; Bae, Yujeong; Choi, Taeyoung; Fernández-Rossier, Joaquin; Heinrich, Andreas J; Lutz, Christoper P

    2018-02-01

    Spin resonance of individual spin centers allows applications ranging from quantum information technology to atomic-scale magnetometry. To protect the quantum properties of a spin, control over its local environment, including energy relaxation and decoherence processes, is crucial. However, in most existing architectures, the environment remains fixed by the crystal structure and electrical contacts. Recently, spin-polarized scanning tunneling microscopy (STM), in combination with electron spin resonance (ESR), allowed the study of single adatoms and inter-atomic coupling with an unprecedented combination of spatial and energy resolution. We elucidate and control the interplay of an Fe single spin with its atomic-scale environment by precisely tuning the phase coherence time T 2 using the STM tip as a variable electrode. We find that the decoherence rate is the sum of two main contributions. The first scales linearly with tunnel current and shows that, on average, every tunneling electron causes one dephasing event. The second, effective even without current, arises from thermally activated spin-flip processes of tip spins. Understanding these interactions allows us to maximize T 2 and improve the energy resolution. It also allows us to maximize the amplitude of the ESR signal, which supports measurements even at elevated temperatures as high as 4 K. Thus, ESR-STM allows control of quantum coherence in individual, electrically accessible spins.

  15. Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

    Science.gov (United States)

    Nguyen, Giang D.; Tsai, Hsin-Zon; Omrani, Arash A.; Marangoni, Tomas; Wu, Meng; Rizzo, Daniel J.; Rodgers, Griffin F.; Cloke, Ryan R.; Durr, Rebecca A.; Sakai, Yuki; Liou, Franklin; Aikawa, Andrew S.; Chelikowsky, James R.; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.

    2017-11-01

    The rational bottom-up synthesis of atomically defined graphene nanoribbon (GNR) heterojunctions represents an enabling technology for the design of nanoscale electronic devices. Synthetic strategies used thus far have relied on the random copolymerization of two electronically distinct molecular precursors to yield GNR heterojunctions. Here we report the fabrication and electronic characterization of atomically precise GNR heterojunctions prepared through late-stage functionalization of chevron GNRs obtained from a single precursor. Post-growth excitation of fully cyclized GNRs induces cleavage of sacrificial carbonyl groups, resulting in atomically well-defined heterojunctions within a single GNR. The GNR heterojunction structure was characterized using bond-resolved scanning tunnelling microscopy, which enables chemical bond imaging at T = 4.5 K. Scanning tunnelling spectroscopy reveals that band alignment across the heterojunction interface yields a type II heterojunction, in agreement with first-principles calculations. GNR heterojunction band realignment proceeds over a distance less than 1 nm, leading to extremely large effective fields.

  16. Localizing gravitational wave sources with single-baseline atom interferometers

    Science.gov (United States)

    Graham, Peter W.; Jung, Sunghoon

    2018-02-01

    Localizing sources on the sky is crucial for realizing the full potential of gravitational waves for astronomy, astrophysics, and cosmology. We show that the midfrequency band, roughly 0.03 to 10 Hz, has significant potential for angular localization. The angular location is measured through the changing Doppler shift as the detector orbits the Sun. This band maximizes the effect since these are the highest frequencies in which sources live for several months. Atom interferometer detectors can observe in the midfrequency band, and even with just a single baseline they can exploit this effect for sensitive angular localization. The single-baseline orbits around the Earth and the Sun, causing it to reorient and change position significantly during the lifetime of the source, and making it similar to having multiple baselines/detectors. For example, atomic detectors could predict the location of upcoming black hole or neutron star merger events with sufficient accuracy to allow optical and other electromagnetic telescopes to observe these events simultaneously. Thus, midband atomic detectors are complementary to other gravitational wave detectors and will help complete the observation of a broad range of the gravitational spectrum.

  17. Chemical oxygen-iodine laser with atomic iodine generated via fluorine atoms

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Čenský, Miroslav; Špalek, Otomar; Kodymová, Jarmila; Picková, Irena; Jakubec, Ivo

    2008-01-01

    Roč. 345, č. 1 (2008), 14-22 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen–iodine laser * COIL Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.961, year: 2008

  18. Silicon solar cell performance deposited by diamond like carbon thin film ;Atomic oxygen effects;

    Science.gov (United States)

    Aghaei, Abbas Ail; Eshaghi, Akbar; Karami, Esmaeil

    2017-09-01

    In this research, a diamond-like carbon thin film was deposited on p-type polycrystalline silicon solar cell via plasma-enhanced chemical vapor deposition method by using methane and hydrogen gases. The effect of atomic oxygen on the functioning of silicon coated DLC thin film and silicon was investigated. Raman spectroscopy, field emission scanning electron microscopy, atomic force microscopy and attenuated total reflection-Fourier transform infrared spectroscopy were used to characterize the structure and morphology of the DLC thin film. Photocurrent-voltage characteristics of the silicon solar cell were carried out using a solar simulator. The results showed that atomic oxygen exposure induced the including oxidation, structural changes, cross-linking reactions and bond breaking of the DLC film; thus reducing the optical properties. The photocurrent-voltage characteristics showed that although the properties of the fabricated thin film were decreased after being exposed to destructive rays, when compared with solar cell without any coating, it could protect it in atomic oxygen condition enhancing solar cell efficiency up to 12%. Thus, it can be said that diamond-like carbon thin layer protect the solar cell against atomic oxygen exposure.

  19. Hot oxygen atoms: Their generation and chemistry. [Production by sputtering; reaction with butenes

    Energy Technology Data Exchange (ETDEWEB)

    Ferrieri, R.A.; Chu, Yung Y.; Wolf, A.P.

    1987-01-01

    Oxygen atoms with energies between 1 and 10 eV have been produced through ion beam sputtering from metal oxide targets. Argon ion beams were used on Ta/sub 2/O/sub 5/ and V/sub 2/O/sub 5/. Results show that some control may be exerted over the atom's kinetic energy by changing the target. Reactions of the hot O(/sup 3/P) with cis- and trans-butenes were investigated. (DLC)

  20. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Špalek, Otomar; Čenský, Miroslav; Picková, Irena; Kodymová, Jarmila; Jakubec, Ivo

    2007-01-01

    Roč. 334, - (2007), s. 167-174 ISSN 0301-0104 R&D Projects: GA ČR GA202/05/0359 Grant - others:USAF European Office for Research and Development(XE) FA 8655-05-M-4027 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z40320502 Keywords : atomic iodine * atomic fluorine * chemical oxygen-iodine laser Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.805, year: 2007

  1. Ion and atomic species produced in large scale oxygen plasma used for treatments sensitive materials

    Science.gov (United States)

    Spasic, Kosta; Skoro, Nikola; Puac, Nevena; Malovic, Gordana; Petrovic, Zoran Lj.

    2013-09-01

    Asymmetric CCP plasma system operating at 13.56 MHz was successfully used for treatments of textile, seeds and polymers. Central electrode (aluminium rod) was powered electrode while the cylindrical wall of the chamber was grounded electrode. We have used mass spectrometry for detections of ions and neutrals in order to get better insight in plasma chemistry involved in surface reactions on treated samples. Besides of ions, one of the important species for surface modifications is atomic oxygen. Actinometry was used as an additional diagnostic tool to determine the extent of atomic oxygen produced in plasma. Measurements were made in several different mixtures of oxygen with addition of several percent of argon. The range of pressures investigated was 150 to 450 mTorr for powers from 100 to 500 W. Measured atomic oxygen density has a steady rise with power (1019-1020 m-3) . Apart from atomic oxygen species we have detected mass spectra of positive and negative ions. Most abundant ion was O2+while the amounts of O+ and O- were smaller by the order of magnitude compared to O2+. Supported by MESTD, RS, III41011 and ON 171037.

  2. Formation of molecules in interstellar clouds from singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Langer, W.D.; and NASA, Institute for Space Studies, Goddard Space Flight Center, New York)

    1978-01-01

    Soft X-ray and cosmic rays produce multiply ionized atoms which may initiate molecule production in interstellar clouds. This molecule production can occur via ion-molecule reactions with H 2 , either directly from the multiply ionized atom (e.g.,C ++ + H 2 →CH + + H + ), or indirectly from the singly ionized atoms (e.g., N + + H 2 →NH + + H) that are formed from the recombination or charge transfer of the highly ionized atom (e.g., N ++ + e→N + + hv). We investigate the contribution of these reactions to the abundances of carbon-, nitrogen-, and oxygen-bearing molecules in isobaric models of diffuse clouds. In the presence of the average flux estimated for the diffuse soft X-ray background, multiply ionized atoms contribute only minimally (a few percent) to carbon-bearing molecules such as CH. In the neighborhood of diffuse structures or discrete sources, however, where the X-ray flux is enhanced, multiple ionization is considerably more important for molecule production

  3. Atomic Oxygen Cleaning Shown to Remove Organic Contaminants at Atmospheric Pressure

    Science.gov (United States)

    Rutledge, Sharon K.

    1998-01-01

    The NASA Lewis Research Center has developed and filed for a patent on a method to produce atomic oxygen at atmospheric pressure by using a direct current arc in a gas flow mixture of oxygen and helium. A prototype device has been tested for its ability to remove various soot residues from surfaces exposed to fire, and various varnishes such as acrylic and egg white.

  4. Mechanical characterization of cellulose single nanofiber by atomic force microscopy

    Science.gov (United States)

    Zhai, Lindong; Kim, Jeong Woong; Lee, Jiyun; Kim, Jaehwan

    2017-04-01

    Cellulose fibers are strong natural fibers and they are renewable, biodegradable and the most abundant biopolymer in the world. So to develop new cellulose fibers based products, the mechanical properties of cellulose nanofibers would be a key. The atomic microscope is used to measure the mechanical properties of cellulose nanofibers based on 3-points bending of cellulose nanofiber. The cellulose nanofibers were generated for an aqueous counter collision system. The cellulose microfibers were nanosized under 200 MPa high pressure. The cellulose nanofiber suspension was diluted with DI water and sprayed on the silicon groove substrate. By performing a nanoscale 3-points bending test using the atomic force microscopy, a known force was applied on the center of the fiber. The elastic modulus of the single nanofiber is obtained by calculating the fiber deflection and several parameters. The elastic modulus values were obtained from different resources of cellulose such as hardwood, softwood and cotton.

  5. A compact source for bunches of singly charged atomic ions

    Science.gov (United States)

    Murböck, T.; Schmidt, S.; Andelkovic, Z.; Birkl, G.; Nörtershäuser, W.; Vogel, M.

    2016-04-01

    We have built, operated, and characterized a compact ion source for low-energy bunches of singly charged atomic ions in a vacuum beam line. It is based on atomic evaporation from an electrically heated oven and ionization by electron impact from a heated filament inside a grid-based ionization volume. An adjacent electrode arrangement is used for ion extraction and focusing by applying positive high-voltage pulses to the grid. The method is particularly suited for experimental environments which require low electromagnetic noise. It has proven simple yet reliable and has been used to produce μs-bunches of up to 106 Mg+ ions at a repetition rate of 1 Hz. We present the concept, setup and characterizing measurements. The instrument has been operated in the framework of the SpecTrap experiment at the HITRAP facility at GSI/FAIR to provide Mg+ ions for sympathetic cooling of highly charged ions by laser-cooled 24Mg+.

  6. Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

    Science.gov (United States)

    Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

    2014-01-01

    In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.

  7. Temperature measurement of cold atoms using single-atom transits and Monte Carlo simulation in a strongly coupled atom-cavity system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenfang; Du, Jinjin; Wen, Ruijuan; Yang, Pengfei; Li, Gang; Zhang, Tiancai, E-mail: tczhang@sxu.edu.cn [State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Opto-Electronics, Shanxi University, Taiyuan 030006 (China); Liang, Junjun [Department of Physics, Shanxi University, Taiyuan 030006 (China)

    2014-03-17

    We investigate the transmission of single-atom transits based on a strongly coupled cavity quantum electrodynamics system. By superposing the transit transmissions of a considerable number of atoms, we obtain the absorption spectra of the cavity induced by single atoms and obtain the temperature of the cold atom. The number of atoms passing through the microcavity for each release is also counted, and this number changes exponentially along with the atom temperature. Monte Carlo simulations agree closely with the experimental results, and the initial temperature of the cold atom is determined. Compared with the conventional time-of-flight (TOF) method, this approach avoids some uncertainties in the standard TOF and sheds new light on determining temperature of cold atoms by counting atoms individually in a confined space.

  8. Scaling Beyond Moore: Single Electron Transistor and Single Atom Transistor Integration on CMOS

    OpenAIRE

    Deshpande , Veeresh

    2012-01-01

    Continuous scaling of MOSFET dimensions has led us to the era of nanoelectronics. Multigate FET (MuGFET) architecture with 'nanowire channel'is being considered as one feasible enabler of MOSFET scaling to end-of-roadmap. Alongside classical CMOS or Moore's law scaling, many novel device proposals exploiting nanoscale phenomena have been made. Single Electron Transistor (SET), with its unique 'Coulomb Blockade' phenomena, and Single Atom Transistor (SAT), as an ultimately scaled transistor, a...

  9. A single dopant atom in silicon sees the light

    Science.gov (United States)

    Rogge, Sven

    2014-03-01

    Optical access to a single qubit is very attractive since it allows for readout with unprecedented high spectral resolution and long distance coupling. Substantial progress has been demonstrated for nitrogen-vacancy centers in diamond (Bernien, Nature, 2013). Optical access to qubits in silicon been an important goal but has to date only been achieved in the ensemble limit (Steger, Science, 2012). Here, we present the photoionization of an individual erbium dopant in silicon (Yin, Nature, 2013). A single-electron transistor is used as a single-shot charge detector to observe the resonant ionization of a single atom as a function of photon energy. This allows for optical addressing and electrical detection of individual erbium dopants with exceptionally narrow line width. The hyperfine coupling is clearly resolved which paves the way to single shot readout of the nuclear spin. This hybrid approach is a first step towards an optical interface to dopants in silicon. in collaboration with Chunming Yin, Milos Rancic, Gabriele G. de Boo, Nikolas Stavrias, Jeffrey C. McCallum, Matthew J. Sellars.

  10. Rate of reaction of dimethylmercury with oxygen atoms in the gas phase

    DEFF Research Database (Denmark)

    Egsgaard, Helge

    1986-01-01

    The rate constant for the reaction of atomic oxygen (O(3P)) with dimethylmercury has been measured at room temperature at a pressure of about 1 Torr using a fast flow system with electron paramagnetic resonance and mass spectrometric detection. Some reaction products were identified. The rate...

  11. Atomic Oxygen Treatment for Non-Contact Removal of Organic Protective Coatings from Painting Surfaces

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Cales, Michael

    1994-01-01

    Current techniques for removal of varnish (lacquer) and other organic protective coatings from paintings involve contact with the surface. This contact can remove pigment, or alter the shape and location of paint on the canvas surface. A thermal energy atomic oxygen plasma, developed to simulate the space environment in low Earth orbit, easily removes these organic materials. Uniform removal of organic protective coatings from the surfaces of paintings is accomplished through chemical reaction. Atomic oxygen will not react with oxides so that most paint pigments will not be affected by the reaction. For paintings containing organic pigments, the exposure can be carefully timed so that the removal stops just short of the pigment. Color samples of Alizarin Crimson, Sap Green, and Zinc White coated with Damar lacquer were exposed to atomic oxygen. The lacquer was easily removed from all of the samples. Additionally, no noticeable change in appearance was observed after the lacquer was reapplied. The same observations were made on a painted canvas test sample obtained from the Cleveland Museum of Art. Scanning electron microscope photographs showed a slight microscopic texturing of the vehicle after exposure. However, there was no removal or disturbance of the paint pigment on the surface. It appears that noncontact cleaning using atomic oxygen may provide a viable alternative to other cleaning techniques. It is especially attractive in cases where the organic protective surface cannot be acceptably or safely removed by conventional techniques.

  12. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1998-01-01

    Smoke damage, as a result of a fire, can be difficult to remove from some types of painting media without causing swelling, leaching or pigment movement or removal. A non-contact technique has been developed which can remove soot from the surface of a painting by use of a gently flowing gas containing atomic oxygen. The atomic oxygen chemically reacts with the soot on the surface creating gasses such as carbon monoxide and carbon dioxide which can be removed through the use of an exhaust system. The reaction is limited to the surface so that the process can be timed to stop when the paint layer is reached. Atomic oxygen is a primary component of the low Earth orbital environment, but can be generated on Earth through various methods. This paper will discuss the results of atomic oxygen treatment of soot exposed acrylic gesso, ink on paper, and a varnished oil painting. Reflectance measurements were used to characterize the surfaces before and after treatment.

  13. Single molecule DNA detection with an atomic vapor notch filter

    Energy Technology Data Exchange (ETDEWEB)

    Uhland, Denis; Rendler, Torsten; Widmann, Matthias; Lee, Sang-Yun [University of Stuttgart and Stuttgart Research Center of Photonic Engineering (SCoPE) and IQST, 3rd Physics Institute, Stuttgart (Germany); Wrachtrup, Joerg; Gerhardt, Ilja [University of Stuttgart and Stuttgart Research Center of Photonic Engineering (SCoPE) and IQST, 3rd Physics Institute, Stuttgart (Germany); Max Planck Institute for Solid State Research, Stuttgart (Germany)

    2015-12-01

    The detection of single molecules has facilitated many advances in life- and material-science. Commonly the fluorescence of dye molecules is detected, which are attached to a non-fluorescent structure under study. For fluorescence microscopy one desires to maximize the detection efficiency together with an efficient suppression of undesired laser leakage. Here we present the use of the narrow-band filtering properties of hot atomic sodium vapor to selectively filter the excitation light from the red-shifted fluorescence of dye labeled single-stranded DNA molecules. A statistical analysis proves an enhancement in detection efficiency of more than 15% in a confocal and in a wide-field configuration. (orig.)

  14. Probing surfaces with single-polymer atomic force microscope experiments.

    Science.gov (United States)

    Friedsam, C; Gaub, H E; Netz, R R

    2006-03-01

    In the past 15 years atomic force microscope (AFM) based force spectroscopy has become a versatile tool to study inter- and intramolecular interactions of single polymer molecules. Irreversible coupling of polymer molecules between the tip of an AFM cantilever and the substrate allows one to study the stretching response up to the high force regime of several nN. For polymers that glide or slip laterally over the surface with negligible friction, on the other hand, the measured force profiles exhibit plateaus which allow one to extract the polymer adsorption energies. Long-term stable polymer coatings of the AFM tips allow for the possibility of repeating desorption experiments from solid supports with individual molecules many times, yielding good sampling statistics and thus reliable estimates for adsorption energies. In combination with recent advances in theoretical modeling, a detailed picture of the conformational statistics, backbone elasticity, and the adsorption characteristics of single polymer molecules is obtained.

  15. Single atom anisotropic magnetoresistance on a topological insulator surface

    KAUST Repository

    Narayan, Awadhesh

    2015-03-12

    © 2015 IOP Publishing Ltd and Deutsche Physikalische Gesellschaft. We demonstrate single atom anisotropic magnetoresistance on the surface of a topological insulator, arising from the interplay between the helical spin-momentum-locked surface electronic structure and the hybridization of the magnetic adatom states. Our first-principles quantum transport calculations based on density functional theory for Mn on Bi2Se3 elucidate the underlying mechanism. We complement our findings with a two dimensional model valid for both single adatoms and magnetic clusters, which leads to a proposed device setup for experimental realization. Our results provide an explanation for the conflicting scattering experiments on magnetic adatoms on topological insulator surfaces, and reveal the real space spin texture around the magnetic impurity.

  16. The photospheric solar oxygen project. I. Abundance analysis of atomic lines and influence of atmospheric models

    Science.gov (United States)

    Caffau, E.; Ludwig, H.-G.; Steffen, M.; Ayres, T. R.; Bonifacio, P.; Cayrel, R.; Freytag, B.; Plez, B.

    2008-09-01

    Context: The solar oxygen abundance has undergone a major downward revision in the past decade, the most noticeable one being the update including 3D hydrodynamical simulations to model the solar photosphere. Up to now, such an analysis has only been carried out by one group using one radiation-hydrodynamics code. Aims: We investigate the photospheric oxygen abundance considering lines from atomic transitions. We also consider the relationship between the solar model used and the resulting solar oxygen abundance, to understand whether the downward abundance revision is specifically related to 3D hydrodynamical effects. Methods: We performed a new determination of the solar photospheric oxygen abundance by analysing different high-resolution high signal-to-noise ratio atlases of the solar flux and disc-centre intensity, making use of the latest generation of CO5BOLD 3D solar model atmospheres. Results: We find 8.73 ≤ log (N_O/N_H) +12 ≤ 8.79. The lower and upper values represent extreme assumptions on the role of collisional excitation and ionisation by neutral hydrogen for the NLTE level populations of neutral oxygen. The error of our analysis is ± (0.04± 0.03) dex, the last being related to NLTE corrections, the first error to any other effect. The 3D “granulation effects” do not play a decisive role in lowering the oxygen abundance. Conclusions: Our recommended value is log (N_O/N_H) = 8.76 ± 0.07, considering our present ignorance of the role of collisions with hydrogen atoms on the NLTE level populations of oxygen. The reasons for lower O abundances in the past are identified as (1) the lower equivalent widths adopted and (2) the choice of neglecting collisions with hydrogen atoms in the statistical equilibrium calculations for oxygen. This paper is dedicated to the memory of Hartmut Holweger.

  17. Analytical study of ozone generation in a single discharge in oxygen

    International Nuclear Information System (INIS)

    Hernandez A, A.O.

    1995-01-01

    The present thesis work, in the case of the equations description the generation ozone process, an atomic oxygen it was described, in the first part, the analysis of perturbative method used in [1] to solve this kind of equations, so on the solutions in the stationary and temporal cases were rensed by means of a constant flux velocity. The second part present the solutions to the sat dy state equations for constant mean flux velocity (Poiseuille form) at low pressures. Finally, the resulting equations were compared with other authors reports. [1] C. Gutierrez-Tapia, E. Camps and O. Olea-Cardoso, Perturbative method for ozone synthesis from oxygen in a single discharge. IEEE Trans. on Plasma Sci. 22(5) 979-985, 1994. (Author)

  18. Crossed-molecular-beams reactive scattering of oxygen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Baseman, R.J.

    1982-11-01

    The reactions of O(/sup 3/P) with six prototypical unsaturated hydrocarbons, and the reaction of O(/sup 1/D) with HD, have been studied in high-resolution crossed-molecular-beams scattering experiments with mass-spectrometric detection. The observed laboratory-product angular and velocity distributions unambiguously identify parent-daughter ion pairs, distinguish different neutral sources of the same ion, and have been used to identify the primary products of the reactions. The derived center-of-mass product angular and translational energy distributions have been used to elucidate the detailed reaction dynamics. These results demonstrate that O(/sup 3/P)-unsaturated hydrocarbon chemistry is dominated by single bond cleavages, leading to radical products exclusively.

  19. Crossed-molecular-beams reactive scattering of oxygen atoms

    International Nuclear Information System (INIS)

    Baseman, R.J.

    1982-11-01

    The reactions of O( 3 P) with six prototypical unsaturated hydrocarbons, and the reaction of O( 1 D) with HD, have been studied in high-resolution crossed-molecular-beams scattering experiments with mass-spectrometric detection. The observed laboratory-product angular and velocity distributions unambiguously identify parent-daughter ion pairs, distinguish different neutral sources of the same ion, and have been used to identify the primary products of the reactions. The derived center-of-mass product angular and translational energy distributions have been used to elucidate the detailed reaction dynamics. These results demonstrate that O( 3 P)-unsaturated hydrocarbon chemistry is dominated by single bond cleavages, leading to radical products exclusively

  20. Atomic oxygen dynamics in an air dielectric barrier discharge: a combined diagnostic and modeling approach

    Science.gov (United States)

    Baldus, Sabrina; Schröder, Daniel; Bibinov, Nikita; Schulz-von der Gathen, Volker; Awakowicz, Peter

    2015-06-01

    Cold atmospheric pressure plasmas are a promising alternative therapy for treatment of chronic wounds, as they have already shown in clinical trials. In this study an air dielectric barrier discharge (DBD) developed for therapeutic use in dermatology is characterized with respect to the plasma produced reactive oxygen species, namely atomic oxygen and ozone, which are known to be of great importance to wound healing. To understand the plasma chemistry of the applied DBD, xenon-calibrated two-photon laser-induced fluorescence spectroscopy and optical absorption spectroscopy are applied. The measured spatial distributions are shown and compared to each other. A model of the afterglow chemistry based on optical emission spectroscopy is developed to cross-check the measurement results and obtain insight into the dynamics of the considered reactive oxygen species. The atomic oxygen density is found to be located mostly between the electrodes with a maximum density of {{n}\\text{O}}=6× {{10}16} cm-3 . Time resolved measurements reveal a constant atomic oxygen density between two high voltage pulses. The ozone is measured up to 3 mm outside the active plasma volume, reaching a maximum value of {{n}{{\\text{O}3}}}=3× {{10}16} cm-3 between the electrodes.

  1. Rate constant for the reaction of atomic oxygen with phosphine at 298 K

    Science.gov (United States)

    Stief, L. J.; Payne, W. A.; Nava, D. F.

    1987-01-01

    The rate constant for the reaction of atomic oxygen with phosphine has been measured at 298 K using flash photolysis combined with time-resolved detection of O(3P) via resonance fluorescence. Atomic oxygen was produced by flash photolysis of N2O or NO highly diluted in argon. The results were shown to be independent of (PH3), (O), total pressure and the source of O(3P). The mean value of all the experiments is k1 = (3.6 + or -0.8) x 10 to the -11th cu cm/s (1 sigma). Two previous measurements of k1 differed by more than an order of magnitude, and the results support the higher value obtained in a discharge flow-mass spectrometry study. A comparison with rate data for other atomic and free radical reactions with phosphine is presented, and the role of these reactions in the aeronomy or photochemistry of Jupiter and Saturn is briefly considered.

  2. Stability investigation of a high number density Pt1/Fe2O3single-atom catalyst under different gas environments by HAADF-STEM.

    Science.gov (United States)

    Duan, Sibin; Wang, Rongming; Liu, Jingyue

    2018-05-18

    Catalysis by supported single metal atoms has demonstrated tremendous potential for practical applications due to their unique catalytic properties. Unless they are strongly anchored to the support surfaces, supported single atoms, however, are thermodynamically unstable, which poses a major obstacle for broad applications of single-atom catalysts (SACs). In order to develop strategies to improve the stability of SACs, we need to understand the intrinsic nature of the sintering processes of supported single metal atoms, especially under various gas environments that are relevant to important catalytic reactions. We report on the synthesis of high number density Pt 1 /Fe 2 O 3 SACs using a facial strong adsorption method and the study of the mobility of these supported Pt single atoms at 250 °C under various gas environments that are relevant to CO oxidation, water-gas shift, and hydrogenation reactions. Under the oxidative gas environment, Fe 2 O 3 supported Pt single atoms are stable even at high temperatures. The presence of either CO or H 2 molecules in the gas environment, however, facilitates the movement of the Pt atoms. The strong interaction between CO and Pt weakens the binding between the Pt atoms and the support, facilitating the movement of the Pt single atoms. The dissociation of H 2 molecules on the Pt atoms and their subsequent interaction with the oxygen species of the support surfaces dislodge the surface oxygen anchored Pt atoms, resulting in the formation of Pt clusters. The addition of H 2 O molecules to the CO or H 2 significantly accelerates the sintering of the Fe 2 O 3 supported Pt single atoms. An anchoring-site determined sintering mechanism is further proposed, which is related to the metal-support interaction.

  3. Simple-Cubic Carbon Frameworks with Atomically Dispersed Iron Dopants toward High-Efficiency Oxygen Reduction.

    Science.gov (United States)

    Wang, Biwei; Wang, Xinxia; Zou, Jinxiang; Yan, Yancui; Xie, Songhai; Hu, Guangzhi; Li, Yanguang; Dong, Angang

    2017-03-08

    Iron and nitrogen codoped carbons (Fe-N-C) have attracted increasingly greater attention as electrocatalysts for oxygen reduction reaction (ORR). Although challenging, the synthesis of Fe-N-C catalysts with highly dispersed and fully exposed active sites is of critical importance for improving the ORR activity. Here, we report a new type of graphitic Fe-N-C catalysts featuring numerous Fe single atoms anchored on a three-dimensional simple-cubic carbon framework. The Fe-N-C catalyst, derived from self-assembled Fe 3 O 4 nanocube superlattices, was prepared by in situ ligand carbonization followed by acid etching and ammonia activation. Benefiting from its homogeneously dispersed and fully accessible active sites, highly graphitic nature, and enhanced mass transport, our Fe-N-C catalyst outperformed Pt/C and many previously reported Fe-N-C catalysts for ORR. Furthermore, when used for constructing the cathode for zinc-air batteries, our Fe-N-C catalyst exhibited current and power densities comparable to those of the state-of-the-art Pt/C catalyst.

  4. Potential of Transition Metal Atoms Embedded in Buckled Monolayer g-C3N4 as Single-Atom Catalysts

    KAUST Repository

    Li, Shu-Long

    2017-10-27

    We use first-principles calculations to systematically explore the potential of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) embedded in buckled monolayer g-C3N4 as single-atom catalysts. We show that clustering of Sc and Ti on g-C3N4 is thermodynamically impeded and that V, Cr, Mn, and Cu are much less susceptible to clustering than the other TM atoms under investigation. Strong bonding of the transition metal atoms in the cavities of g-C3N4 and high diffusion barriers together are responsible for single-atom fixation. Analysis of the CO oxidation process indicates that embedding of Cr and Mn in g-C3N4 gives rise to promising single-atom catalysts at low temperature.

  5. Investigating single molecule adhesion by atomic force spectroscopy.

    Science.gov (United States)

    Stetter, Frank W S; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

    2015-02-27

    Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment.

  6. Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

    Science.gov (United States)

    Stetter, Frank W. S.; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

    2015-01-01

    Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment. PMID:25867282

  7. Single crystal studies of platinum alloys for oxygen reduction electrodes

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese

    the behavior of bulk single crystals, deposition of yttrium and gadolinium on a clean, annealed Pt(111) crystal were investigated in UHV. PtxY and PtxGd alloys terminated with a single atomic layer of platinum were formed after annealing to 500 °C in UHV. These alloys will be referred to as Y/Pt(111) and Gd.......89×1.89 structure, and the Gd/Pt(111) sample has formed a 1.90×1.90 structure compared to pure platinum. From the XPS measurements, it is most likely that alloys with the Pt5Y and Pt5Gd stoichiometry have been formed. The reactivity of the surfaces were probed using TPD. These measurements showed sharp desorption...

  8. Single-passage read-out of atomic quantum memory

    DEFF Research Database (Denmark)

    Fiurasek, J; Sherson, J; Opatrny, T

    2005-01-01

    Retrieving quantum information, collective atomic spin systems, quantum memory Udgivelsesdato: 17 Feb.......Retrieving quantum information, collective atomic spin systems, quantum memory Udgivelsesdato: 17 Feb....

  9. Single qubit gates in a 3D array of neutral atoms

    Science.gov (United States)

    Corcovilos, Theodore A.; Wang, Yang; Li, Xiao; Weiss, David S.; Kim, Jungsang

    2012-06-01

    We present an approach to quantum computing using single Cs atoms in a cubic 5-μm spaced 3D optical lattice. After cooling the atoms to near their vibrational ground state (76% ground state occupancy) using projection sideband cooling, we manipulate the state of individual atoms using the AC Stark shift induced by intersecting lasers and microwave pulses that are only resonant with the shifted atom. Here we demonstrate Rabi oscillations of a single atom in the center of the array and progress towards steering the beams to address the other atoms. Rapid steering of the lasers using micromirrors allows single-atom gates of ˜10 μs. This single-site addressing along with lattice polarization rotation will enable us to fill voids in the central region of the atom array by selectively moving individual atoms. Future work will couple adjacent qubits via the Rydberg blockade mechanism with expected two-qubit gate times of ˜100 ns.

  10. In-space technology development: Atomic oxygen and orbital debris effects

    Science.gov (United States)

    Visentine, James T.; Potter, Andrew E., Jr.

    1989-01-01

    Earlier Shuttle flight experiments have shown atomic oxygen within the orbital environment can interact with many materials to produce surface recession and mass loss and combine catalytically with other constituents to generate visible and infrared glows. In addition to these effects, examinations of returned satellite hardware have shown many spacecraft materials are also susceptible to damage from high velocity impacts with orbital space debris. These effects are of particular concern for large, multi-mission spacecraft, such as Space Station and SDI operational satellites, that will operate in low-Earth orbit (LEO) during the late 1990's. Not only must these spacecraft include materials and exterior coatings that are resistant to atomic oxygen surface interactions, but these materials must also provide adequate protection against erosion and pitting that could result from numerous impacts with small particles (less than 100 microns) of orbital space debris. An overview of these concerns is presented, and activities now underway to develop materials and coatings are outlined that will provide adequate atomic protection for future spacecraft. The report also discusses atomic oxygen and orbital debris flight experiments now under development to expand our limited data base, correlate ground-based measurments with flight results, and develop an orbital debris collision warning system for use by future spacecraft.

  11. Probing Single Pt Atoms in Complex Intermetallic Al13Fe4.

    Science.gov (United States)

    Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang

    2018-03-21

    The atomic structure of a 0.2 atom % Pt-doped complex metallic alloy, monoclinic Al 13 Fe 4 , was investigated using a single crystal prepared by the Czochralski method. High-angle annular dark-field scanning transmission electron microscopy showed that the Pt atoms were dispersed as single atoms and substituted at Fe sites in Al 13 Fe 4 . Single-crystal X-ray structural analysis revealed that the Pt atoms preferentially substitute at Fe(1). Unlike those that have been reported, Pt single atoms in the surface layers showed lower activity and selectivity than those of Al 2 Pt and bulk Pt for propyne hydrogenation, indicating that the active state of a given single-atom Pt site is strongly dominated by the bonding to surrounding Al atoms.

  12. Rapid Hydrogen and Oxygen Atom Transfer by a High-Valent Nickel-Oxygen Species.

    Science.gov (United States)

    Corona, Teresa; Draksharapu, Apparao; Padamati, Sandeep K; Gamba, Ilaria; Martin-Diaconescu, Vlad; Acuña-Parés, Ferran; Browne, Wesley R; Company, Anna

    2016-10-05

    Terminal high-valent metal-oxygen species are key reaction intermediates in the catalytic cycle of both enzymes (e.g., oxygenases) and synthetic oxidation catalysts. While tremendous efforts have been directed toward the characterization of the biologically relevant terminal manganese-oxygen and iron-oxygen species, the corresponding analogues based on late-transition metals such as cobalt, nickel or copper are relatively scarce. This scarcity is in part related to the "Oxo Wall" concept, which predicts that late transition metals cannot support a terminal oxido ligand in a tetragonal environment. Here, the nickel(II) complex (1) of the tetradentate macrocyclic ligand bearing a 2,6-pyridinedicarboxamidate unit is shown to be an effective catalyst in the chlorination and oxidation of C-H bonds with sodium hypochlorite as terminal oxidant in the presence of acetic acid (AcOH). Insight into the active species responsible for the observed reactivity was gained through the study of the reaction of 1 with ClO - at low temperature by UV-vis absorption, resonance Raman, EPR, ESI-MS, and XAS analyses. DFT calculations aided the assignment of the trapped chromophoric species (3) as a nickel-hypochlorite species. Despite the fact that the formal oxidation state of the nickel in 3 is +4, experimental and computational analysis indicate that 3 is best formulated as a Ni III complex with one unpaired electron delocalized in the ligands surrounding the metal center. Most remarkably, 3 reacts rapidly with a range of substrates including those with strong aliphatic C-H bonds, indicating the direct involvement of 3 in the oxidation/chlorination reactions observed in the 1/ClO - /AcOH catalytic system.

  13. Tackling CO Poisoning with Single Atom Alloy Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jilei; Lucci, Felicia R.; Yang, Ming; Lee, Sungsik; Marcinkowski, Matthew D.; Therrien, Andrew J.; Williams, Christopher T.; Sykes, E. Charles H.; Flytzani-Stephanopoulos, Maria

    2016-05-01

    Platinum (Pt) catalysts are extensively used in the chemical industry and as electrocatalysts in fuel cells. Pt is notorious for its sensitivity to poisoning by strong CO adsorption. Here we demonstrate that the single atom alloy (SAA) strat-egy applied to Pt reduces the binding strength of CO while maintaining catalytic performance. By using surface sensi-tive studies, we accurately determined the binding strength of CO to different Pt ensembles, and this in turn guided the preparation of PtCu alloy nanoparticles. The atomic ratio Pt:Cu = 1:120 yielded a SAA which exhibited excellent CO tolerance in H2 activation, the key elementary step for hy-drogenation and hydrogen electro-oxidation. As a probe reaction, the selective hydrogenation of acetylene to ethene was performed under flow conditions on the SAA nanopar-ticles supported on alumina without activity loss in the pres-ence of CO. The ability to maintain reactivity in the presence of CO is vital to other industrial reactions including fuel reforming and methanol/ethanol fuel cells.

  14. Computational models of the single substitutional nitrogen atom in diamond

    CERN Document Server

    Lombardi, E B; Osuch, K; Reynhardt, E C

    2003-01-01

    The single substitutional nitrogen atom in diamond is apparently a very simple defect in a very simple elemental solid. It has been modelled by a range of computational models, few of which either agree with each other, or with the experimental data on the defect. If the computational models of less well understood defects in this and more complex materials are to be reliable, we should understand why the discrepancies arise and how they can be avoided in future modelling. This paper presents an all-electron, augmented plane-wave (APW) density functional theory (DFT) calculation using the modern APW with local orbitals full potential periodic approximation. This is compared to DFT, finite cluster pseudopotential calculations and a semi-empirical Hartree-Fock model. Comparisons between the results of these and previous models allow us to discuss the reliability of computational methods of this and similar defects.

  15. Generation of atomic iodine via fluorine for chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Jirasek, Vit; Spalek, Otomar; Censky, Miroslav; Pickova, Irena; Kodymova, Jarmila; Jakubec, Ivo

    2007-01-01

    A method of the chemical generation of atomic iodine for a chemical oxygen-iodine laser (COIL) using atomic fluorine as a reaction intermediate was studied experimentally. This method is based on the reaction between F 2 and NO providing F atoms, and the reaction of F with HI resulting in iodine atoms generation. Atomic iodine was produced with efficiency exceeding 40% relative to initial F 2 flow rate. This efficiency was nearly independent on pressure and total gas flow rate. The F atoms were stable in the reactor up to 2 ms. An optimum ratio of the reactants flow rates was F 2 :NO:HI = 1:1:1. A rate constant of the reaction of F 2 with HI was determined. The numerical modelling showed that remaining HI and IF were probably consumed in their mutual reaction. The reaction system was found suitable for employing in a generator of atomic iodine with its subsequent injection into a supersonic nozzle of a COIL

  16. The Kinetics of Oxygen Atom Recombination in the Presence of Carbon Dioxide

    Science.gov (United States)

    Jamieson, C. S.; Garcia, R. M.; Pejakovic, D.; Kalogerakis, K.

    2009-12-01

    Understanding processes involving atomic oxygen is crucial for the study and modeling of composition, energy transfer, airglow, and transport dynamics in planetary atmospheres. Significant gaps and uncertainties exist in the understanding of these processes and often the relevant input from laboratory measurements is missing or outdated. We are conducting laboratory experiments to measure the rate coefficient for O + O + CO2 recombination and investigating the O2 excited states produced following the recombination. These measurements will provide key input for a quantitative understanding and reliable modeling of the atmospheres of the CO2 planets and their airglow. An excimer laser providing pulsed output at either 193 nm or 248 nm is employed to produce O atoms by dissociating carbon dioxide, nitrous oxide, or ozone. In an ambient-pressure background of CO2, O atoms recombine in a time scale of a few milliseconds. Detection of laser-induced fluorescence at 845 nm following two-photon excitation near 226 nm monitors the decay of the oxygen atom population. From the temporal evolution of the signal the recombination rate coefficient is extracted. Fluorescence spectroscopy is used to detect the products of O-atom recombination and subsequent relaxation in CO2. This work is supported by the US National Science Foundation’s (NSF) Planetary Astronomy Program. Rosanne Garcia’s participation was funded by the NSF Research Experiences for Undergraduates (REU) Program.

  17. Oxidation of Ni(Pt)Si by molecular vs. atomic oxygen

    International Nuclear Information System (INIS)

    Manandhar, Sudha; Copp, Brian; Kelber, J.A.

    2008-01-01

    X-ray photoelectron spectroscopy (XPS) has been used to characterize the oxidation of a clean Ni(Pt)Si surface under two distinct conditions: exposure to a mixed flux of atomic and molecular oxygen (O + O 2 ; P O+O 2 = 5 x 10 -6 Torr) and pure molecular oxygen (O 2 ; P O 2 = 10 -5 Torr) at ambient temperatures. Formation of the clean, stoichiometric (nickel monosilicide) phase under vacuum conditions results in the formation of a surface layer enriched in PtSi. Oxidation of this surface in the presence of atomic oxygen initially results in formation of a silicon oxide overlayer. At higher exposures, kinetically limited oxidation of Pt results in Pt silicate formation. No passivation of oxygen uptake of the sample is observed for total O + O 2 exposure 4 L, at which point the average oxide/silicate overlayer thickness is 23 (3) A (uncertainty in the last digit in parentheses). In contrast, exposure of the clean Ni(Pt)Si surface to molecular oxygen only (maximum exposure: 5 x 10 5 L) results in slow growth of a silicon oxide overlayer, without silicate formation, and eventual passivation at a total average oxide thickness of 8(1) A, compared to a oxide average thickness of 17(2) A (no silicate formation) for the as-received sample (i.e., exposed to ambient.) The aggressive silicon oxidation by atomic oxygen, results in Ni-rich silicide formation in the substrate and the kinetically limited oxidation of the Pt

  18. Gravitational Wave Detection with Single-Laser Atom Interferometers

    Science.gov (United States)

    Yu, Nan; Tinto, Massimo

    2011-01-01

    A new design for a broadband detector of gravitational radiation relies on two atom interferometers separated by a distance L. In this scheme, only one arm and one laser are used for operating the two atom interferometers. The innovation here involves the fact that the atoms in the atom interferometers are not only considered as perfect test masses, but also as highly stable clocks. Atomic coherence is intrinsically stable, and can be many orders of magnitude more stable than a laser.

  19. Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield.

    Science.gov (United States)

    Tizei, Luiz H G; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

    2016-01-01

    Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Angular distribution of photoelectrons from atomic oxygen, nitrogen and carbon. [in upper atmosphere

    Science.gov (United States)

    Manson, S. J.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.

  1. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    Science.gov (United States)

    Lopaev, D. V.; Malykhin, E. M.; Zyryanov, S. M.

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature TV was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O(3P), O2, O2(1Δg) and O3 molecules in different vibrational states. The agreement of O3 and O(3P) density profiles and TV calculated in the model with observed ones was reached by varying the single model parameter—ozone production probability (\\gamma_{O_{3}}) on the quartz tube surface on the assumption that O3 production occurs mainly in the surface recombination of physisorbed O(3P) and O2. The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse \\gamma_{O_{3}} data obtained in the kinetic model. A good agreement between the experimental data and the data of both models—the kinetic 1D model and the phenomenological surface model—was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up the

  2. Surface recombination of oxygen atoms in O2 plasma at increased pressure: II. Vibrational temperature and surface production of ozone

    International Nuclear Information System (INIS)

    Lopaev, D V; Malykhin, E M; Zyryanov, S M

    2011-01-01

    Ozone production in an oxygen glow discharge in a quartz tube was studied in the pressure range of 10-50 Torr. The O 3 density distribution along the tube diameter was measured by UV absorption spectroscopy, and ozone vibrational temperature T V was found comparing the calculated ab initio absorption spectra with the experimental ones. It has been shown that the O 3 production mainly occurs on a tube surface whereas ozone is lost in the tube centre where in contrast the electron and oxygen atom densities are maximal. Two models were used to analyse the obtained results. The first one is a kinetic 1D model for the processes occurring near the tube walls with the participation of the main particles: O( 3 P), O 2 , O 2 ( 1 Δ g ) and O 3 molecules in different vibrational states. The agreement of O 3 and O( 3 P) density profiles and T V calculated in the model with observed ones was reached by varying the single model parameter-ozone production probability (γ O 3 ) on the quartz tube surface on the assumption that O 3 production occurs mainly in the surface recombination of physisorbed O( 3 P) and O 2 . The phenomenological model of the surface processes with the participation of oxygen atoms and molecules including singlet oxygen molecules was also considered to analyse γ O 3 data obtained in the kinetic model. A good agreement between the experimental data and the data of both models-the kinetic 1D model and the phenomenological surface model-was obtained in the full range of the studied conditions that allowed consideration of the ozone surface production mechanism in more detail. The important role of singlet oxygen in ozone surface production was shown. The O 3 surface production rate directly depends on the density of physisorbed oxygen atoms and molecules and can be high with increasing pressure and energy inputted into plasma while simultaneously keeping the surface temperature low enough. Using the special discharge cell design, such an approach opens up

  3. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    International Nuclear Information System (INIS)

    Pei Xianqiang; Li Yan; Wang Qihua; Sun Xiaojun

    2009-01-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation

  4. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Energy Technology Data Exchange (ETDEWEB)

    Pei Xianqiang [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Li Yan [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China); Graduate school of the Chinese Academy of Sciences, Beijing 100039 (China); Wang Qihua [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)], E-mail: Wangqh@lzb.ac.cn; Sun Xiaojun [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, No. 18, Tianshui Middle Road, Lanzhou 730000 (China)

    2009-03-15

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to 'carpet-like' structure after irradiation.

  5. Effects of atomic oxygen irradiation on the surface properties of phenolphthalein poly(ether sulfone)

    Science.gov (United States)

    Pei, Xianqiang; Li, Yan; Wang, Qihua; Sun, Xiaojun

    2009-03-01

    To study the effects of low earth orbit environment on the surface properties of polymers, phenolphthalein poly(ether sulfone) (PES-C) blocks were irradiated by atomic oxygen in a ground-based simulation system. The surface properties of the pristine and irradiated blocks were studied by attenuated total-reflection FTIR (FTIR-ATR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM). It was found that atomic oxygen irradiation induced the destruction of PES-C molecular chains, including the scission and oxidation of PES-C molecular chains, as evidenced by FTIR and XPS results. The scission of PES-C molecular chains decreased the relative concentration of C in the surface, while the oxidation increased the relative concentration of O in the surface. The changes in surface chemical structure and composition also changed the surface morphology of the block, which shifted from smooth structure before irradiation to "carpet-like" structure after irradiation.

  6. Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

    Science.gov (United States)

    Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

    2014-01-01

    Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

  7. Water Adsorption and Dissociation on Ceria-Supported Single-Atom Catalysts: A First-Principles DFT+U Investigation.

    Science.gov (United States)

    Han, Zhong-Kang; Gao, Yi

    2016-02-01

    Single-atom catalysts have attracted wide attention owing to their extremely high atom efficiency and activities. In this paper, we applied density functional theory with the inclusion of the on-site Coulomb interaction (DFT+U) to investigate water adsorption and dissociation on clean CeO 2 (111) surfaces and single transition metal atoms (STMAs) adsorbed on the CeO 2 (111) surface. It is found that the most stable water configuration is molecular adsorption on the clean CeO 2 (111) surface and dissociative adsorption on STMA/CeO 2 (111) surfaces, respectively. In addition, our results indicate that the more the electrons that transfer from STMA to the ceria substrate, the stronger the binding energies between the STMA and ceria surfaces. A linear relationship is identified between the water dissociation barriers and the d band centers of STMA, known as the generalized Brønsted-Evans-Polanyi principle. By combining the oxygen spillovers, single-atom dispersion stabilities, and water dissociation barriers, Zn, Cr, and V are identified as potential candidates for the future design of ceria-supported single-atom catalysts for reactions in which the dissociation of water plays an important role, such as the water-gas shift reaction. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Single Protein Molecule Mapping with Magnetic Atomic Force Microscopy

    Science.gov (United States)

    Moskalenko, Andriy V.; Yarova, Polina L.; Gordeev, Sergey N.; Smirnov, Sergey V.

    2010-01-01

    Abstract Understanding the structural organization and distribution of proteins in biological cells is of fundamental importance in biomedical research. The use of conventional fluorescent microscopy for this purpose is limited due to its relatively low spatial resolution compared to the size of a single protein molecule. Atomic force microscopy (AFM), on the other hand, allows one to achieve single-protein resolution by scanning the cell surface using a specialized ligand-coated AFM tip. However, because this method relies on short-range interactions, it is limited to the detection of binding sites that are directly accessible to the AFM tip. We developed a method based on magnetic (long-range) interactions and applied it to investigate the structural organization and distribution of endothelin receptors on the surface of smooth muscle cells. Endothelin receptors were labeled with 50-nm superparamagnetic microbeads and then imaged with magnetic AFM. Considering its high spatial resolution and ability to “see” magnetically labeled proteins at a distance of up to 150 nm, this approach may become an important tool for investigating the dynamics of individual proteins both on the cell membrane and in the submembrane space. PMID:20141762

  9. Single molecule atomic force microscopy and force spectroscopy of chitosan.

    Science.gov (United States)

    Kocun, Marta; Grandbois, Michel; Cuccia, Louis A

    2011-02-01

    Atomic force microscopy (AFM) and AFM-based force spectroscopy was used to study the desorption of individual chitosan polymer chains from substrates with varying chemical composition. AFM images of chitosan adsorbed onto a flat mica substrate show elongated single strands or aggregated bundles. The aggregated state of the polymer is consistent with the high level of flexibility and mobility expected for a highly positively charged polymer strand. Conversely, the visualization of elongated strands indicated the presence of stabilizing interactions with the substrate. Surfaces with varying chemical composition (glass, self-assembled monolayer of mercaptoundecanoic acid/decanethiol and polytetrafluoroethylene (PTFE)) were probed with chitosan modified AFM tips and the corresponding desorption energies, calculated from plateau-like features, were attributed to the desorption of individual polymer strands. Desorption energies of 2.0±0.3×10(-20)J, 1.8±0.3×10(-20)J and 3.5±0.3×10(-20)J were obtained for glass, SAM of mercaptoundecanoic/dodecanethiol and PTFE, respectively. These single molecule level results can be used as a basis for investigating chitosan and chitosan-based materials for biomaterial applications. Copyright © 2010 Elsevier B.V. All rights reserved.

  10. The Effect of Ash and Inorganic Pigment Fill on the Atomic Oxygen Erosion of Polymers and Paints (ISMSE-12)

    Science.gov (United States)

    Banks, Bruce A.; Simmons, Julie C.; de Groh, Kim K.; Miller, Sharon K.

    2012-01-01

    Low atomic oxygen fluence (below 1x10(exp 20) atoms/sq cm) exposure of polymers and paints that have a small ash content and/or inorganic pigment fill does not cause a significant difference in erosion yield compared to unfilled (neat) polymers or paints. However, if the ash and/or inorganic pigment content is increased, the surface population of the inorganic content will begin to occupy a significant fraction of the surface area as the atomic oxygen exposure increases because the ash is not volatile and remains as a loosely attached surface layer. This results in a reduction of the flux of atomic oxygen reacting with the polymer and a reduction in the rate of erosion of the polymer remaining. This paper presents the results of ground laboratory and low Earth orbital (LEO) investigations to evaluate the fluence dependence of atomic oxygen erosion yields of polymers and paints having inorganic fill content.

  11. Simulation of the Atomic and Electronic Structure of Oxygen Vacancies and Polyvacancies in ZrO2

    Science.gov (United States)

    Perevalov, T. V.

    2018-03-01

    Cubic, tetragonal, and monoclinic phases of zirconium oxide with oxygen vacancies and polyvacancies are studied by quantum chemical modeling of the atomic and electronic structure. It is demonstrated that an oxygen vacancy in ZrO2 may act as both an electron trap and a hole one. An electron added to the ZrO2 structure with an oxygen vacancy is distributed between two neighboring Zr atoms and is a bonding orbital by nature. It is advantageous for each subsequent O vacancy to form close to the already existing ones; notably, one Zr atom has no more than two removed O atoms related to it. Defect levels from oxygen polyvacancies are distributed in the bandgap with preferential localization in the vicinity of the oxygen monovacancy level.

  12. Compact Single Site Resolution Cold Atom Experiment for Adiabatic Quantum Computing

    Science.gov (United States)

    2016-02-03

    Specifically, we will design and construct a set of compact single atom traps with integrated optics, suitable for heralded entanglement and loophole...technical development is to achieve fast loading and qubit manipulation in the single- atom traps, which will enable our scientific investigation. The...goal of our scientific investigation is to demonstrate high fidelity and fast atom - atom entanglement between physically 1. REPORT DATE (DD-MM-YYYY) 4

  13. Atomic Oxygen Erosion Yield Prediction for Spacecraft Polymers in Low Earth Orbit

    Science.gov (United States)

    Banks, Bruce A.; Backus, Jane A.; Manno, Michael V.; Waters, Deborah L.; Cameron, Kevin C.; deGroh, Kim K.

    2009-01-01

    The ability to predict the atomic oxygen erosion yield of polymers based on their chemistry and physical properties has been only partially successful because of a lack of reliable low Earth orbit (LEO) erosion yield data. Unfortunately, many of the early experiments did not utilize dehydrated mass loss measurements for erosion yield determination, and the resulting mass loss due to atomic oxygen exposure may have been compromised because samples were often not in consistent states of dehydration during the pre-flight and post-flight mass measurements. This is a particular problem for short duration mission exposures or low erosion yield materials. However, as a result of the retrieval of the Polymer Erosion and Contamination Experiment (PEACE) flown as part of the Materials International Space Station Experiment 2 (MISSE 2), the erosion yields of 38 polymers and pyrolytic graphite were accurately measured. The experiment was exposed to the LEO environment for 3.95 years from August 16, 2001 to July 30, 2005 and was successfully retrieved during a space walk on July 30, 2005 during Discovery s STS-114 Return to Flight mission. The 40 different materials tested (including Kapton H fluence witness samples) were selected specifically to represent a variety of polymers used in space as well as a wide variety of polymer chemical structures. The MISSE 2 PEACE Polymers experiment used carefully dehydrated mass measurements, as well as accurate density measurements to obtain accurate erosion yield data for high-fluence (8.43 1021 atoms/sq cm). The resulting data was used to develop an erosion yield predictive tool with a correlation coefficient of 0.895 and uncertainty of +/-6.3 10(exp -25)cu cm/atom. The predictive tool utilizes the chemical structures and physical properties of polymers to predict in-space atomic oxygen erosion yields. A predictive tool concept (September 2009 version) is presented which represents an improvement over an earlier (December 2008) version.

  14. Oxygen-activated growth and bandgap tunability of large single-crystal bilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Yufeng; Wang, Lei; Liu, Yuanyue; Chen, Hua; Wang, Xiaohan; Tan, Cheng; Nie, Shu; Suk, Ji Won; Jiang, Tengfei; Liang, Tengfei; Xiao, Junfeng; Ye, Wenjing; Dean, Cory R.; Yakobson, Boris I.; McCarty, Kevin F.; Kim, Philip; Hone, James; Colombo, Luigi; Ruoff, Rodney S.

    2016-02-01

    Bernal (AB)-stacked bilayer graphene (BLG) is a semiconductor whose bandgap can be tuned by a transverse electric field, making it a unique material for a number of electronic and photonic devices. A scalable approach to synthesize high-quality BLG is therefore critical, which requires minimal crystalline defects in both graphene layers and maximal area of Bernal stacking, which is necessary for bandgap tunability. Here we demonstrate that in an oxygen-activated chemical vapour deposition (CVD) process, half-millimetre size, Bernal-stacked BLG single crystals can be synthesized on Cu. Besides the traditional 'surface-limited' growth mechanism for SLG (1st layer), we discovered new microscopic steps governing the growth of the 2nd graphene layer below the 1st layer as the diffusion of carbon atoms through the Cu bulk after complete dehydrogenation of hydrocarbon molecules on the Cu surface, which does not occur in the absence of oxygen. Moreover, we found that the efficient diffusion of the carbon atoms present at the interface between Cu and the 1st graphene layer further facilitates growth of large domains of the 2nd layer. The CVD BLG has superior electrical quality, with a device on/off ratio greater than 104, and a tunable bandgap up to -100 meV at a displacement field of 0.9 V nm-1.

  15. A Spaceflight Experiment to Determine the Effect of Chamfered Sample Holders on Atomic Oxygen Erosion

    Science.gov (United States)

    Girish, Kshama; Banks, Bruce A.; De Groh, Kim K.

    2017-01-01

    The exteriors of low Earth orbit (LEO) spacecraft are subjected to many environmental threats that can cause the surface materials to degrade. One of these threats is atomic oxygen (AO), which is formed by photo dissociation of molecular oxygen by energetic UV radiation. Atomic oxygen exposure can result in oxidative erosion of polymers leading to structural or thermal failure of spacecraft components. The amount of AO erosion expected during a mission can be calculated by knowing the AO erosion yield (Ey, volume loss per incident atom) of the material and the AO fluence expected for the mission. The Ey can be determined through dehydrated mass loss measurements of test samples if one knows the AO fluence, density, and exposure area. Such measurements have been made as part of flight experiments, including the Materials International Space Station Experiment 2 (MISSE 2) Polymers Experiment. The MISSE 2 Polymers Experiment sample holders had chamfered circular apertures that controlled the exposure area, but also allowed some additional AO to scatter from the chamfered edges onto the samples thus causing some samples to erode thru and peel at their perimeter due to this scattering effect. By modeling the scattered AO flux one can predict the actual total AO fluence, and hence more accurate sample Ey. Sample holders with different chamfered-perimeter to exposed-area ratios have been designed for future spaceflight experiments that allow a more accurate determination of the Ey for large area polymers, representative of their use on spacecraft surfaces.

  16. Influence of driving frequency on oxygen atom density in O2 radio frequency capacitively coupled plasma

    International Nuclear Information System (INIS)

    Kitajima, Takeshi; Noro, Kouichi; Nakano, Toshiki; Makabe, Toshiaki

    2004-01-01

    The influence of the driving frequency on the absolute oxygen atom density in an O 2 radio frequency (RF) capacitively coupled plasma (CCP) was investigated using vacuum ultraviolet absorption spectroscopy with pulse modulation of the main plasma. A low-power operation of a compact inductively coupled plasma light source was enabled to avoid the significant measurement errors caused by self-absorption in the light source. The pulse modulation of the main plasma enabled accurate absorption measurement for high plasma density conditions by eliminating background signals due to light emission from the main plasma. As for the effects of the driving frequency, the effect of VHF (100 MHz) drive on oxygen atom production was small because of the modest increase in plasma density of electronegative O 2 in contrast to the significant increase in electron density previously observed for electropositive Ar. The recombination coefficient of oxygen atoms on the electrode surface was obtained from a decay rate in the afterglow by comparison with a diffusion model, and it showed agreement with previously reported values for several electrode materials

  17. Surface modification of polystyrene with atomic oxygen radical anions-dissolved solution

    International Nuclear Information System (INIS)

    Wang Lian; Yan Lifeng; Zhao Peitao; Torimoto, Yoshifumi; Sadakata, Masayoshi; Li Quanxin

    2008-01-01

    A novel approach to surface modification of polystyrene (PS) polymer with atomic oxygen radical anions-dissolved solution (named as O - water) has been investigated. The O - water, generated by bubbling of the O - (atomic oxygen radical anion) flux into the deionized water, was characterized by UV-absorption spectroscopy and electron paramagnetic resonance (EPR) spectroscopy. The O - water treatments caused an obvious increase of the surface hydrophilicity, surface energy, surface roughness and also caused an alteration of the surface chemical composition for PS surfaces, which were indicated by the variety of contact angle and material characterization by atomic force microscope (AFM) imaging, field emission scanning electron microscopy (FESEM), X-ray photoelectron spectroscopy (XPS), and attenuated total-reflection Fourier transform infrared (ATR-FTIR) measurements. Particularly, it was found that some hydrophilic groups such as hydroxyl (OH) and carbonyl (C=O) groups were introduced onto the polystyrene surfaces via the O - water treatment, leading to the increases of surface hydrophilicity and surface energy. The active oxygen species would react with the aromatic ring molecules on the PS surfaces and decompose the aromatic compounds to produce hydrophilic hydroxyl and carbonyl compounds. In addition, the O - water is also considered as a 'clean solution' without adding any toxic chemicals and it is easy to be handled at room temperature. Present method may suit to the surface modification of polymers and other heat-sensitive materials potentially

  18. Formation of oxides and segregation of mobile atoms during SIMS profiling of Si with oxygen ions

    International Nuclear Information System (INIS)

    Petravic, M.; Williams, J.S.; Svensson, B.G.; Conway, M.

    1993-01-01

    An oxygen beam is commonly used in secondary ion mass spectroscopy (SIMS) analysis to enhance the ionization probability for positive secondary ions. It has been observed, however, that this technique produces in some cases a great degradation of depth resolution. The most pronounced effects have been found for impurities in silicon under oxygen bombardment at angles of incidence smaller than ∼ 30 deg from the surface normal. A new approach is described which involved broadening of SIMS profiles for some mobile atoms, such as Cu, Ni and Au, implanted into silicon. The anomalously large broadening is explained in terms of segregation at a SiO 2 /Si interface formed during bombardment with oxygen at impact angles less than 30 deg. 2 refs., 1 tab., 4 figs

  19. Formation of oxides and segregation of mobile atoms during SIMS profiling of Si with oxygen ions

    Energy Technology Data Exchange (ETDEWEB)

    Petravic, M.; Williams, J.S.; Svensson, B.G.; Conway, M. [Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences

    1993-12-31

    An oxygen beam is commonly used in secondary ion mass spectroscopy (SIMS) analysis to enhance the ionization probability for positive secondary ions. It has been observed, however, that this technique produces in some cases a great degradation of depth resolution. The most pronounced effects have been found for impurities in silicon under oxygen bombardment at angles of incidence smaller than {approx} 30 deg from the surface normal. A new approach is described which involved broadening of SIMS profiles for some mobile atoms, such as Cu, Ni and Au, implanted into silicon. The anomalously large broadening is explained in terms of segregation at a SiO{sub 2}/Si interface formed during bombardment with oxygen at impact angles less than 30 deg. 2 refs., 1 tab., 4 figs.

  20. High energy-intensity atomic oxygen beam source for low earth orbit materials degradation studies

    International Nuclear Information System (INIS)

    Cross, J.B.; Blais, N.C.

    1988-01-01

    A high intensity (10 19 O-atoms/s-sr) high energy (5 eV) source of oxygen atoms has been developed that produces a total fluence of 10 22 O-atoms/cm 2 in less than 100 hours of continuous operation at a distance of 15 cm from the source. The source employs a CW CO 2 laser sustained discharge to form a high temperature (15,000 K) plasma in the throat of a 0.3-mm diameter nozzle using 3--8 atmospheres of rare gas/O 2 mixtures. Visible and infrared photon flux levels of 1 watt/cm 2 have been measured 15 cm downstream of the source while vacuum UV (VUV) fluxes are comparable to that measured in low earth orbit. The reactions of atomic oxygen with kapton, Teflon, silver, and various coatings have been studied. The oxidation of kapton (reaction efficiency = 3 /times/ 10/sup /minus/24/ cm /+-/ 50%) has an activation energy of 0.8 Kcal/mole over the temperature range of 25/degree/C to 100/degree/C at a beam energy of 1.5 eV and produces low molecular weight gas phase reaction products (H 2 O, NO, CO 2 ). Teflon reacts with ∼0.1--0.2 efficiency to that of kapton at 25/degree/C and both surfaces show a rug-like texture after exposure to the O-atom beam. Angular scattering distribution measurements of O-atoms show a near cosine distribution from reactive surfaces indicating complete accommodation of the translational energy with the surface while a nonreactive surface (nickel oxide) shows specular-like scattering with 50% accommodation of the translational energy with the surface. A technique for simple on orbit chemical experiments using resistance measurements of coated silver strips is described. 9 figs

  1. Measurement of the atom number distribution in an optical tweezer using single-photon counting

    International Nuclear Information System (INIS)

    Fuhrmanek, A.; Sortais, Y. R. P.; Grangier, P.; Browaeys, A.

    2010-01-01

    We demonstrate in this paper a method to reconstruct the atom number distribution of a cloud containing a few tens of cold atoms. The atoms are first loaded from a magneto-optical trap into a microscopic optical dipole trap and then released in a resonant light probe where they undergo a Brownian motion and scatter photons. We count the number of photon events detected on an image intensifier. Using the response of our detection system to a single atom as a calibration, we extract the atom number distribution when the trap is loaded with more than one atom. The atom number distribution is found to be compatible with a Poisson distribution.

  2. Effect of oxygen and nitrogen interactions on friction of single-crystal silicon carbide

    Science.gov (United States)

    Miyoshi, K.; Buckley, D. H.

    1978-01-01

    Friction studies were conducted with single-crystal silicon carbide contacting silicon carbide and titanium after having been exposed to oxygen and nitrogen in various forms. After they had been sputter cleaned, the surfaces were (1) exposed to gaseous oxygen and nitrogen (adsorption), (2) ion bombarded with oxygen and nitrogen, or (3) reacted with oxygen (SiC only). Auger emission spectroscopy was used to determine the presence of oxygen and nitrogen. The results indicate that the surfaces of silicon carbide with reacted and ion-bombarded oxygen ions give higher coefficients of friction than do argon sputter-cleaned surfaces. The effects of oxygen on friction may be related to the relative chemical, thermodynamic properties of silicon, carbon, and titanium for oxygen. The adsorbed films of oxygen, nitrogen, and mixed gases of oxygen and nitrogen on sputter-cleaned, oxygen-ion bombarded, and oxygen-reacted surfaces generally reduce friction. Adsorption to silicon carbide is relatively weak.

  3. Chemical reaction of atomic oxygen with evaporated films of copper, part 4

    Science.gov (United States)

    Fromhold, A. T.; Williams, J. R.

    1990-01-01

    Evaporated copper films were exposed to an atomic oxygen flux of 1.4 x 10(exp 17) atoms/sq cm per sec at temperatures in the range 285 to 375 F (140 to 191 C) for time intervals between 2 and 50 minutes. Rutherford backscattering spectroscopy (RBS) was used to determine the thickness of the oxide layers formed and the ratio of the number of copper to oxygen atoms in the layers. Oxide film thicknesses ranged from 50 to 3000 A (0.005 to 0.3 microns, or equivalently, 5 x 10(exp -9) to 3 x 10(exp -7); it was determined that the primary oxide phase was Cu2O. The growth law was found to be parabolic (L(t) varies as t(exp 1/2)), in which the oxide thickness L(t) increases as the square root of the exposure time t. The analysis of the data is consistent with either of the two parabolic growth laws. (The thin-film parabolic growth law is based on the assumption that the process is diffusion controlled, with the space charge within the growing oxide layer being negligible. The thick-film parabolic growth law is also based on a diffusion controlled process, but space-charge neutrality prevails locally within very thick oxides.) In the absence of a voltage measurement across the growing oxide, a distinction between the two mechanisms cannot be made, nor can growth by the diffusion of neutral atomic oxygen be entirely ruled out. The activation energy for the reaction is on the order of 1.1 eV (1.76 x 10(exp -19) joule, or equivalently, 25.3 kcal/mole).

  4. Neutron-scattering determination of the structural parameters versus oxygen content of YBa2Cu3O6+x single crystals

    DEFF Research Database (Denmark)

    Casalta, H.; Schleger, P.; Harris, P.

    1996-01-01

    The crystal structure of high-quality single crystals of YBa2Cu3O6+x grown in zirconia crucibles was studied systematically versus oxygen concentration by four-circle neutron diffraction at room temperature, The oxygen contents ranged from x = 0.18 (insulating, tetragonal phase) to x = 0....... Also, there is neither an abrupt change of the apical-oxygen position at the orthorhombic to tetragonal transition, nor is there any indication of depletion of the atomic sites except for the chain-site oxygen, The superconducting critical temperatures or Neel temperatures, as well as the existence...

  5. Optical detection of singlet oxygen from single cells

    DEFF Research Database (Denmark)

    Snyder, John; Skovsen, Esben; Lambert, John D. C.

    2006-01-01

    The lowest excited electronic state of molecular oxygen, singlet molecular oxygen, O2(a 1g), is a reactive species involved in many chemical and biological processes. To better understand the roles played by singlet oxygen in biological systems, particularly at the sub-cellular level, optical tools...

  6. Crossed beam reactive scattering of oxygen atoms and surface scattering studies of gaseous condensation

    International Nuclear Information System (INIS)

    Sibener, S.J.

    1979-09-01

    A high pressure, radio frequency discharge nozzle beam source was developed for the production of very intense (greater than or equal to 10 18 atoms sr -1 sec -1 ) supersonic beams of oxygen atoms. This source is capable of producing seeded beams of ground state O( 3 P/sub J/) atoms when dilute oxygen-argon mixtures are used, with molecular dissociation levels exceeding 80% being realized for operation at pressures up to 350 torr. When dilute oxygen-helium mixtures are employed both ground state O( 3 P/sub J/) and excited state O( 1 D 2 ) atoms are present in the terminal beam, with molecular dissociation levels typically exceeding 60% being achieved for operation at pressures up to 200 torr. Atomic oxygen mean translational energies from 0.14 to 0.50 eV were obtained using the seeded beams technique, with Mach numbers as high as 10 (FWHM Δ v/v approx. = 20%) being realized. The IC1, CF 3 I, C 6 H 6 , and C 6 D 6 reactions are discussed in detail. The IC1 and CF 3 I studies have enabled us to determine an improved value for the bond energy of the IO radical: D/sub o/(IO) = 55 +- 2 kcal/mole. The IO product angular and velocity distributions have been used to generate center-of-mass flux contour maps, which indicate that these two reactions proceed via relatively long-lived collision complexes whose mean lifetimes are slightly shorter than their respective rotational periods. The O( 3 P/sub J/) + C 6 H 6 and C 6 D 6 reactions were studied in order to elucidate the reaction mechanism, and, in particular, to identify the primary reaction products produced in these reactions. Finally, a series of beam-surface scattering experiments are described which examined the internal and translational energy dependence of molecular condensation probabilities for collisions involving either CC1 4 or SF 6 and their respective condensed phases. 117 references

  7. Atomic Oxygen Abundance in Molecular Clouds: Absorption Toward Sagittarius B2

    Science.gov (United States)

    Lis, D. C.; Keene, Jocelyn; Phillips, T. G.; Schilke, P.; Werner, M. W.; Zmuidzinas, J.

    2001-01-01

    We have obtained high-resolution (approximately 35 km/s) spectra toward the molecular cloud Sgr B2 at 63 micrometers, the wavelength of the ground-state fine-structure line of atomic oxygen (O(I)), using the ISO-LWS instrument. Four separate velocity components are seen in the deconvolved spectrum, in absorption against the dust continuum emission of Sgr B2. Three of these components, corresponding to foreground clouds, are used to study the O(I) content of the cool molecular gas along the line of sight. In principle, the atomic oxygen that produces a particular velocity component could exist in any, or all, of three physically distinct regions: inside a dense molecular cloud, in the UV illuminated surface layer (PDR) of a cloud, and in an atomic (H(I)) gas halo. For each of the three foreground clouds, we estimate, and subtract from the observed O(I) column density, the oxygen content of the H(I) halo gas, by scaling from a published high-resolution 21 cm spectrum. We find that the remaining O(I) column density is correlated with the observed (13)CO column density. From the slope of this correlation, an average [O(I)]/[(13)CO] ratio of 270 +/- 120 (3-sigma) is derived, which corresponds to [O(I)]/[(13)CO] = 9 for a CO to (13)CO abundance ratio of 30. Assuming a (13)CO abundance of 1x10(exp -6) with respect to H nuclei, we derive an atomic oxygen abundance of 2.7x10(exp -4) in the dense gas phase, corresponding to a 15% oxygen depletion compared to the diffuse ISM in our Galactic neighborhood. The presence of multiple, spectrally resolved velocity components in the Sgr B2 absorption spectrum allows, for the first time, a direct determination of the PDR contribution to the O(I) column density. The PDR regions should contain O(I) but not (13)CO, and would thus be expected to produce an offset in the O(I)-(13)CO correlation. Our data do not show such an offset, suggesting that within our beam O(I) is spatially coexistent with the molecular gas, as traced by (13)CO

  8. Towards a Precise Measurement of Atomic Parity Violation in a Single Ra+ Ion

    NARCIS (Netherlands)

    Jungmann, K.; Giri, G. S.; Versolato, O. O.; Steadman, SG; Stephans, GSF; Taylor, FE

    2012-01-01

    In the singly charged Ra+ ion the contributions of the weak interactions to the atomic level energies are some 50 times larger than in the Cs atom. We report the results of laser spectroscopy experiments on Ra-209-214(+) isotopes in preparation of a precision atomic parity violation experiment.

  9. The role of atomic oxygen concentration in the ionization balance of the lower ionosphere during solar proton events

    Energy Technology Data Exchange (ETDEWEB)

    Osepian, A.; Tereschenko, V. [Polar Geophysical Institute, Murmansk (Russian Federation); Dalin, P.; Kirkwood, S. [Swedish Institute of Space Physics, Kiruna (Sweden)

    2008-07-01

    The influence of atomic oxygen concentration on the height distribution of the main positive and negative ions and on electron density in the mesosphere is studied for the conditions prevailing during the solar proton event on 17 January 2005. It is shown by numerical modeling that the electron and ion density profiles are strongly dependent on the choice of the atomic oxygen profile. Experimental measurements of the electron density are used as the criterion for choosing the atomic oxygen profile in the mesosphere. With the help of modeling, the atomic oxygen profile in the daytime in the winter mesosphere is found to lead to a model electron density profile best matching the electron density profile obtained experimentally. As a result, with the help of modeling, we find the atomic oxygen profiles at various solar zenith angles in the winter mesosphere which lead to model electron density profiles matching the electron density profiles obtained experimentally. Alteration of the atomic oxygen concentration leads to a redistribution of the abundance of both positive and negative ion constituents, with changes in their total concentrations and transition heights. In consequence this results in changes of the electron density and effective recombination coefficient. For conditions of low concentration of atomic oxygen (during a solar proton event), the formation of cluster ions is the key process determining electron and ion densities at altitudes up to 77 km. The complex negative CO{sub 3}{sup -} ion is formed up to about 74 km and the final NO{sub 3}{sup -} ion, which is stable in relation to the atomic oxygen, is the dominant negative ion up to 74 km. As a result the transition heights between cluster ions and molecular ions and between negative ions and electron density are located at 77 km and 66 km, respectively. (orig.)

  10. On I(5577 Å and I (7620 Å auroral emissions and atomic oxygen densities

    Directory of Open Access Journals (Sweden)

    R. L. Gattinger

    1996-07-01

    Full Text Available A model of auroral electron deposition processes has been developed using Monte Carlo techniques to simulate electron transport and energy loss. The computed differential electron flux and pitch angle were compared with in situ auroral observations to provide a check on the accuracy of the model. As part of the energy loss process, a tally was kept of electronic excitation and ionization of the important atomic and molecular states. The optical emission rates from these excited states were computed and compared with auroral observations of η(3914 Å, η(5577 Å, η(7620 Å and η(N2VK. In particular, the roles played by energy transfer from N2(A3Σ+u and by other processes in the excitation of O(1S and O2(b1Σ+g were investigated in detail. It is concluded that the N2(A3Σ+u mechanism is dominant for the production of OI(5577 Å in the peak emission region of normal aurora, although the production efficiency is much smaller than the measured laboratory value; above 150 km electron impact on atomic oxygen is dominant. Atomic oxygen densities in the range of 0.75±0.25 MSIS-86 [O] were derived from the optical comparisons for auroral latitudes in mid-winter for various levels of solar and magnetic activity.

  11. Behavior and role of superficial oxygen in Cu for the growth of large single-crystalline graphene

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Dong [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Fukuoka 816-8580 (Japan); Solís-Fernández, Pablo [Global Innovation Center (GIC), Kyushu University, Fukuoka, 816-8580 (Japan); Yunus, Rozan Mohamad [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Fukuoka 816-8580 (Japan); Hibino, Hiroki [School of Science and Technology, Kwansei Gakuin University, Hyogo, 669-1337 (Japan); Ago, Hiroki, E-mail: ago.hiroki.974@m.kyushu-u.ac.jp [Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, Fukuoka 816-8580 (Japan); Global Innovation Center (GIC), Kyushu University, Fukuoka, 816-8580 (Japan)

    2017-06-30

    Highlights: • Growth mechanism of large graphene grains on oxidized Cu was revealed by investigating the behavior of oxygen in the Cu. • Only the heating up step was found to be crucial for obtaining large graphene grains. • The copper oxide layer was found to promote some oxygen atoms to dissolve into the Cu foil. • The dissolved oxygen contributes to the reduction of a nucleation density of graphene. - Abstract: Decreasing the nucleation density of graphene grown on copper (Cu) foil by chemical vapor deposition (CVD) is essential for the synthesis of large-area single-crystalline graphene. Here, the behavior of the copper oxide layer and its impact on the graphene growth have been investigated. We found that a small amount of oxygen dissolves into the Cu when the oxide layer decomposes during the heating up in a non-reducing Ar environment. The remaining oxygen in the Cu foil can play an important role in decreasing the graphene nucleation density. The dissolved oxygen can withstand at high temperatures even in reducing H{sub 2} environments without completely losing its effectiveness for maintaining a low graphene nucleation density. However, heating up in a H{sub 2} environment significantly reduces the copper oxide layer during the very first moments of the process at low temperatures, preventing the oxygen to dissolve into the Cu and significantly increasing the nucleation density. These findings will help to improve the graphene growth on Cu catalyst by increasing the grain size while decreasing the grain density.

  12. Spectral and magnetic investigations of lanthanide chelate compounds with Schiff bases coordinated via nitrogen and oxygen atoms

    International Nuclear Information System (INIS)

    Gupta, S.P.; Sharma, K.G.

    1982-01-01

    Nine-coordination lanthanide chelate of the type [LnL 3 ] and [LnL' 3 ] where Ln--Pr 3 , Nd 3 , Sm 3 , Ho 3 , Er 3 ; LH=O-(N-α-furfurylidenemino) etbanesulfonic acid (HFES)-LL'H=O-(N-α- furfurylidenemino) benzenesulfonic acid (HFBS) are synthesized by means of ligand reaction with Ln(NO 3 ) 3 . The chelates prepared are singled out in a solid state and are characterized using the element analysis, magnetic and spectral data, as well as the method of electric conductivity. At room temperature magnetic momenta of the chelates are characteristic of trivalent lanthanide ions. Electron spectra consist of absorption bands of f-f transitions and they are interpreted in the framework of LSI model. For the chelates prepared a polymeric structure with coordination number 9 is suggested in which lanthanide ions are bonded through oxygen and nitrogen atoms of schiff base [ru

  13. Time profile of harmonics generated by a single atom in a strong electromagnetic field

    International Nuclear Information System (INIS)

    Antoine, P.; Piraux, B.; Maquet, A.

    1995-01-01

    We show that the time profile of the harmonics emitted by a single atom exposed to a strong electromagnetic field may be obtained through a wavelet or a Gabor analysis of the acceleration of the atomic dipole. This analysis is extremely sensitive to the details of the dynamics and sheds some light on the competition between the atomic excitation or ionization processes and photon emission. For illustration we study the interaction of atomic hydrogen with an intense laser pulse

  14. Atomic oxygen adsorption and its effect on the oxidation behaviour of ZrB2-ZrC-SiC in air

    International Nuclear Information System (INIS)

    Gao Dong; Zhang Yue; Xu Chunlai; Song Yang; Shi Xiaobin

    2011-01-01

    Research highlights: → Atomic oxygen was adsorbed on the surface of ZrB 2 -ZrC-SiC ceramics. → Atomic oxygen was preferred reacted with borides according to XPS spectra. → The atomic oxygen adsorption is detrimental to the oxidation resistance. → The porosity should be the major reason which provides diffusion path for the atomic oxygen. → The structure evolution of the ceramics during oxidation is analyzed. - Abstract: Atomic oxygen is adsorbed on the surface of the hot-pressed ZrB 2 -ZrC-SiC ceramic composites, and then the ceramic composites are oxidized in air up to 1500 deg. C with the purpose of clarifying the effect of atomic oxygen adsorption on the oxidation behaviour of the ceramic composites. The XPS spectra are employed to identify the adsorption mechanism of atomic oxygen on the surface of the ceramic composites, and the formation of O-B, O-Zr, and O-Si bonds indicates that atomic oxygen is chemically adsorbed on the surface of the ceramic. In addition, atomic oxygen is preferred to be adsorbed on the surface of borides according to the Zr 3d core level spectrum. On the other hand, the atomic oxygen adsorption is detrimental to the oxidation resistance according to experimental results, and the porosity of the ceramic should be the major reason which provides diffusion path for the atomic oxygen. Furthermore, the structure evolution of the ceramic composites during oxidation process is analyzed.

  15. Computer simulations of an oxygen inductively coupled plasma used for plasma-assisted atomic layer deposition

    International Nuclear Information System (INIS)

    Tinck, S; Bogaerts, A

    2011-01-01

    In this paper, an O 2 inductively coupled plasma used for plasma enhanced atomic layer deposition of Al 2 O 3 thin films is investigated by means of modeling. This work intends to provide more information about basic plasma properties such as species densities and species fluxes to the substrate as a function of power and pressure, which might be hard to measure experimentally. For this purpose, a hybrid model developed by Kushner et al is applied to calculate the plasma characteristics in the reactor volume for different chamber pressures ranging from 1 to 10 mTorr and different coil powers ranging from 50 to 500 W. Density profiles of the various oxygen containing plasma species are reported as well as fluxes to the substrate under various operating conditions. Furthermore, different orientations of the substrate, which can be placed vertically or horizontally in the reactor, are taken into account. In addition, special attention is paid to the recombination process of atomic oxygen on the different reactor walls under the stated operating conditions. From this work it can be concluded that the plasma properties change significantly in different locations of the reactor. The plasma density near the cylindrical coil is high, while it is almost negligible in the neighborhood of the substrate. Ion and excited species fluxes to the substrate are found to be very low and negligible. Finally, the orientation of the substrate has a minor effect on the flux of O 2 , while it has a significant effect on the flux of O. In the horizontal configuration, the flux of atomic oxygen can be up to one order of magnitude lower than in the vertical configuration.

  16. Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex.

    Science.gov (United States)

    Kafentzi, Maria-Chrysanthi; Papadakis, Raffaello; Gennarini, Federica; Kochem, Amélie; Iranzo, Olga; Le Mest, Yves; Le Poul, Nicolas; Tron, Thierry; Faure, Bruno; Simaan, A Jalila; Réglier, Marius

    2018-04-06

    Water oxidation by copper-based complexes to form dioxygen has attracted attention in recent years, with the aim of developing efficient and cheap catalysts for chemical energy storage. In addition, high-valent metal-oxo species produced by the oxidation of metal complexes in the presence of water can be used to achieve substrate oxygenation with the use of H 2 O as an oxygen source. To date, this strategy has not been reported for copper complexes. Herein, a copper(II) complex, [(RPY2)Cu(OTf) 2 ] (RPY2=N-substituted bis[2-pyridyl(ethylamine)] ligands; R=indane; OTf=triflate), is used. This complex, which contains an oxidizable substrate moiety (indane), is used as a tool to monitor an intramolecular oxygen atom transfer reaction. Electrochemical properties were investigated and, upon electrolysis at 1.30 V versus a normal hydrogen electrode (NHE), both dioxygen production and oxygenation of the indane moiety were observed. The ligand was oxidized in a highly diastereoselective manner, which indicated that the observed reactivity was mediated by metal-centered reactive species. The pH dependence of the reactivity was monitored and correlated with speciation deduced from different techniques, ranging from potentiometric titrations to spectroscopic studies and DFT calculations. Water oxidation for dioxygen production occurs at neutral pH and is probably mediated by the oxidation of a mononuclear copper(II) precursor. It is achieved with a rather low overpotential (280 mV at pH 7), although with limited efficiency. On the other hand, oxygenation is maximum at pH 8-8.5 and is probably mediated by the electrochemical oxidation of an antiferromagnetically coupled dinuclear bis(μ-hydroxo) copper(II) precursor. This constitutes the first example of copper-centered oxidative water activation for a selective oxygenation reaction. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Technologies for protection of the Space Station power system surfaces in atomic oxygen environment

    Science.gov (United States)

    Nahra, Henry K.; Rutledge, Sharon K.

    1988-01-01

    Technologies for protecting Space Station surfaces from degradation caused by atomic oxygen are discussed, stressing protection of the power system surfaces. The Space Station power system is described and research concerning the solar array surfaces and radiator surfaces is examined. The possibility of coating the solar array sufaces with a sputter deposited thin film of silicon oxide containing small concentrations of polytetrafluoroethylene is presented. Hexamethyldisiloxane coating for these surfaces is also considered. For the radiator surfaces, possible coatings include silver teflon thermal coating and zinc orthotitanate.

  18. Use of an Atmospheric Atomic Oxygen Beam for Restoration of Defaced Paintings

    Science.gov (United States)

    Banks, Bruce A.; Rutledge, Sharon K.; Karla, Margaret; Norris, Mary Jo; Real, William A.; Haytas, Christy A.

    1999-01-01

    An atmospheric atomic oxygen beam has been found to be effective in removing organic materials through oxidation that are typical of graffiti or other contaminant defacements which may occur to the surfaces of paintings. The technique, developed by the National Aeronautics and Space Administration, is portable and was successfully used at the Carnegie Museum of Art to remove a lipstick smudge from the surface of porous paint on the Andy Warhol painting "Bathtub." This process was also evaluated for suitability to remove felt tip and ball point ink graffiti from paper, gesso on canvas and cotton canvas.

  19. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings. Revised

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1999-01-01

    A noncontact technique is described that uses atomic oxygen, generated under low pressure in the presence of nitrogen, to remove soot and charred varnish from the surface of a painting. The process, which involves surface oxidation, permits control of the amount of surface material removed. The effectiveness of the process was evaluated by reflectance measurements from selected areas made during the removal of soot from acrylic gesso, ink on paper, and varnished oil paint substrates. For the latter substrate, treatment also involved the removal of damaged varnish and paint binder from the surface.

  20. Atomic-level insights in optimizing reaction paths for hydroformylation reaction over Rh/CoO single-atom catalyst.

    Science.gov (United States)

    Wang, Liangbing; Zhang, Wenbo; Wang, Shenpeng; Gao, Zehua; Luo, Zhiheng; Wang, Xu; Zeng, Rui; Li, Aowen; Li, Hongliang; Wang, Menglin; Zheng, Xusheng; Zhu, Junfa; Zhang, Wenhua; Ma, Chao; Si, Rui; Zeng, Jie

    2016-12-22

    Rh-based heterogeneous catalysts generally have limited selectivity relative to their homogeneous counterparts in hydroformylation reactions despite of the convenience of catalyst separation in heterogeneous catalysis. Here, we develop CoO-supported Rh single-atom catalysts (Rh/CoO) with remarkable activity and selectivity towards propene hydroformylation. By increasing Rh mass loading, isolated Rh atoms switch to aggregated clusters of different atomicity. During the hydroformylation, Rh/CoO achieves the optimal selectivity of 94.4% for butyraldehyde and the highest turnover frequency number of 2,065 h -1 among the obtained atomic-scale Rh-based catalysts. Mechanistic studies reveal that a structural reconstruction of Rh single atoms in Rh/CoO occurs during the catalytic process, facilitating the adsorption and activation of reactants. In kinetic view, linear products are determined as the dominating products by analysing reaction paths deriving from the two most stable co-adsorbed configurations. As a bridge of homogeneous and heterogeneous catalysis, single-atom catalysts can be potentially applied in other industrial reactions.

  1. Lateral and vertical manipulations of single atoms on the Ag(1 1 1) surface with the copper single-atom and trimer-apex tips

    International Nuclear Information System (INIS)

    Xie Yiqun; Yang Tianxing; Ye Xiang; Huang Lei

    2011-01-01

    We study the lateral and vertical manipulations of single Ag and Cu atoms on the Ag(1 1 1) surface with the Cu single-atom and trimer-apex tips using molecular statics simulations. The reliability of the lateral manipulation with the Cu single-atom tip is investigated, and compared with that for the Ag tips. We find that overall the manipulation reliability (MR) increases with the decreasing tip height, and in a wide tip-height range the MR is better than those for both the Ag single-atom and trimer-apex tips. This is due to the stronger attractive force of the Cu tip and its better stability against the interactions with the Ag surface. With the Cu trimer-apex tip, the single Ag and Cu adatoms can be picked up from the flat Ag(1 1 1) surface, and moreover a reversible vertical manipulation of single Ag atoms on the stepped Ag(1 1 1) surface is possible, suggesting a method to modify two-dimensional Ag nanostructures on the Ag(1 1 1) surface with the Cu trimer-apex tip.

  2. Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3 Mn-Iodosobenzene Adducts.

    Science.gov (United States)

    de Ruiter, Graham; Carsch, Kurtis M; Gul, Sheraz; Chatterjee, Ruchira; Thompson, Niklas B; Takase, Michael K; Yano, Junko; Agapie, Theodor

    2017-04-18

    We report the synthesis, characterization, and reactivity of [LFe 3 (PhPz) 3 OMn( s PhIO)][OTf] x (3: x=2; 4: x=3), where 4 is one of very few examples of iodosobenzene-metal adducts characterized by X-ray crystallography. Access to these rare heterometallic clusters enabled differentiation of the metal centers involved in oxygen atom transfer (Mn) or redox modulation (Fe). Specifically, 57 Fe Mössbauer and X-ray absorption spectroscopy provided unique insights into how changes in oxidation state (Fe III 2 Fe II Mn II vs. Fe III 3 Mn II ) influence oxygen atom transfer in tetranuclear Fe 3 Mn clusters. In particular, a one-electron redox change at a distal metal site leads to a change in oxygen atom transfer reactivity by ca. two orders of magnitude. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO2

    Science.gov (United States)

    Jin, Cui; Dai, Ying; Wei, Wei; Ma, Xiangchao; Li, Mengmeng; Huang, Baibiao

    2017-12-01

    The effects of single metal atom (Pt, Pd, Rh and Ru) adsorption on the photocatalytic properties of anatase TiO2 are investigated by means of the first-principles calculations based on density functional theory (DFT). Our results show that the most stable adsorption site for single metal atom on anatase TiO2 (101) surface is the bridge site formed by two twofold coordinated oxygen (O2c) atoms at the step edge. Due to the charge transfer from metal atoms to anatase TiO2 (101) surface, the work function of adsorbed surface is significantly smaller than the clean one, indicating enhanced surface activity. Fukui functions are highly localized around the isolated metal atoms, indicating that single metal atoms on anatase TiO2 (101) surface serve as the active reduction and oxidation sites in the photocatalytic process. Photo-induced electrons in the electronically excited TiO2 photocatalyst can be transferred to target species through the deposited single atoms. The band structures of host TiO2 are almost unchanged upon the adsorption, and the metal induced states are located in the band gap of the host. Remarkably, due to the metal atoms adsorption, the upward shift of conduction band edge will improve the reducing capacity of anatase TiO2. Moreover, when single metal atoms are adsorbed, potential energy of topmost surface Ti atoms turns to get close to the vacuum level, which significantly facilitates the electron transfer for hydrogen evolution. Results in this work provide new insights into improving the photocatalytic performance by single metal atoms adsorption.

  4. In situ single-atom array synthesis using dynamic holographic optical tweezers

    Science.gov (United States)

    Kim, Hyosub; Lee, Woojun; Lee, Han-gyeol; Jo, Hanlae; Song, Yunheung; Ahn, Jaewook

    2016-01-01

    Establishing a reliable method to form scalable neutral-atom platforms is an essential cornerstone for quantum computation, quantum simulation and quantum many-body physics. Here we demonstrate a real-time transport of single atoms using holographic microtraps controlled by a liquid-crystal spatial light modulator. For this, an analytical design approach to flicker-free microtrap movement is devised and cold rubidium atoms are simultaneously rearranged with 2N motional degrees of freedom, representing unprecedented space controllability. We also accomplish an in situ feedback control for single-atom rearrangements with the high success rate of 99% for up to 10 μm translation. We hope this proof-of-principle demonstration of high-fidelity atom-array preparations will be useful for deterministic loading of N single atoms, especially on arbitrary lattice locations, and also for real-time qubit shuttling in high-dimensional quantum computing architectures. PMID:27796372

  5. Mass loss of shuttle space suit orthofabric under simulated ionospheric atomic oxygen bombardment

    Science.gov (United States)

    Miller, W. L.

    1985-01-01

    Many polymeric materials used for thermal protection and insulation on spacecraft degrade significantly under prolonged bombardment by ionospheric atomic oxygen. The covering fabric of the multilayered shuttle space suit is composed of a loose weave of GORE-TEX fibers, Nomex and Kevlar-29, which are all polymeric materials. The complete evaluation of suit fabric degradation from ionospheric atomic oxygen is of importance in reevaluating suit lifetime and inspection procedures. The mass loss and visible physical changes of each test sample was determined. Kapton control samples and data from previous asher and flight tests were used to scale the results to reflect ionospheric conditions at about 220 km altitude. It is predicted that the orthofabric loses mass in the ionosphere at a rate of about 66% of the original orthofabric mass/yr. The outer layer of the two-layer orthofabric test samples shows few easily visible signs of degradation, even when observed at 440X. It is concluded that the orthofabric could suffer significant loss of performance after much less than a year of total exposure time, while the degradation might be undetectable in post flight visual examinations of space suits.

  6. MISSE 2 PEACE Polymers Experiment Atomic Oxygen Erosion Yield Error Analysis

    Science.gov (United States)

    McCarthy, Catherine E.; Banks, Bruce A.; deGroh, Kim, K.

    2010-01-01

    Atomic oxygen erosion of polymers in low Earth orbit (LEO) poses a serious threat to spacecraft performance and durability. To address this, 40 different polymer samples and a sample of pyrolytic graphite, collectively called the PEACE (Polymer Erosion and Contamination Experiment) Polymers, were exposed to the LEO space environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of the Materials International Space Station Experiment 1 & 2 (MISSE 1 & 2). The purpose of the PEACE Polymers experiment was to obtain accurate mass loss measurements in space to combine with ground measurements in order to accurately calculate the atomic oxygen erosion yields of a wide variety of polymeric materials exposed to the LEO space environment for a long period of time. Error calculations were performed in order to determine the accuracy of the mass measurements and therefore of the erosion yield values. The standard deviation, or error, of each factor was incorporated into the fractional uncertainty of the erosion yield for each of three different situations, depending on the post-flight weighing procedure. The resulting error calculations showed the erosion yield values to be very accurate, with an average error of 3.30 percent.

  7. Highly Durable Platinum Single-Atom Alloy Catalyst for Electrochemical Reactions

    DEFF Research Database (Denmark)

    Kim, Jiwhan; Roh, Chi-Woo; Sahoo, Suman Kalyan

    2018-01-01

    -doped tin oxide (Pt1/ATO) is synthesized by conventional incipient wetness impregnation, with up to 8 wt% Pt. The single atomic Pt structure is confirmed by high-angle annular dark field scanning tunneling electron microscopy images and extended X-ray absorption fine structure analysis results. Density......Single atomic Pt catalyst can offer efficient utilization of the expensive platinum and provide unique selectivity because it lacks ensemble sites. However, designing such a catalyst with high Pt loading and good durability is very challenging. Here, single atomic Pt catalyst supported on antimony...... functional theory calculations show that replacing Sb sites with Pt atoms in the bulk phase or at the surface of SbSn or ATO is energetically favorable. The Pt1/ATO shows superior activity and durability for formic acid oxidation reaction, compared to a commercial Pt/C catalyst. The single atomic Pt...

  8. Joint Remote State Preparation of a Single-Atom Qubit State via a GHZ Entangled State

    Science.gov (United States)

    Xiao, Xiao-Qi; Yao, Fengwei; Lin, Xiaochen; Gong, Lihua

    2018-04-01

    We proposed a physical protocol for the joint remote preparation of a single-atom qubit state via a three-atom entangled GHZ-type state previously shared by the two senders and one receiver. Only rotation operations of single-atom, which can be achieved though the resonant interaction between the two-level atom and the classical field, are required in the scheme. It shows that the splitting way of the classical information of the secret qubit not only determines the success of reconstruction of the secret qubit, but also influences the operations of the senders.

  9. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    Science.gov (United States)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  10. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms

    DEFF Research Database (Denmark)

    Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K.

    2017-01-01

    A catalyst consisting of vanadium oxide submonolayers supported on rutile titanium dioxide is used for a variety of reactions. One important question is the difference between the activity of monomeric clusters (having one vanadium atom) and polymeric clusters (having more than one vanadium atom......). In the case of oxidative dehydrogenation of alkanes and methanol, the reaction produces water, oxygen vacancies, and hydrogen atoms bound to the surface. For this article we use density functional theory to examine how the presence of these species on the surface affects a V2O5 cluster, which we assume...

  11. Micromechanical bending of single collagen fibrils using atomic force microscopy

    NARCIS (Netherlands)

    Yang, Lanti; van der Werf, Kees O; Koopman, Bart F J M; Subramaniam, Vinod; Bennink, Martin L; Dijkstra, Pieter J; Feijen, Jan

    A new micromechanical technique was developed to study the mechanical properties of single collagen fibrils. Single collagen fibrils, the basic components of the collagen fiber, have a characteristic highly organized structure. Fibrils were isolated from collagenous materials and their mechanical

  12. Atomic oxygen effects on boron nitride and silicon nitride: A comparison of ground based and space flight data

    Science.gov (United States)

    Cross, J. B.; Lan, E. H.; Smith, C. A.; Whatley, W. J.

    1990-01-01

    The effects of atomic oxygen on boron nitride (BN) and silicon nitride (Si3N4) were evaluated in a low Earth orbit (LEO) flight experiment and in a ground based simulation facility. In both the inflight and ground based experiments, these materials were coated on thin (approx. 250A) silver films, and the electrical resistance of the silver was measured in situ to detect any penetration of atomic oxygen through the BN and Si3N4 materials. In the presence of atomic oxygen, silver oxidizes to form silver oxide, which has a much higher electrical resistance than pure silver. Permeation of atomic oxygen through BN, as indicated by an increase in the electrical resistance of the silver underneath, was observed in both the inflight and ground based experiments. In contrast, no permeation of atomic oxygen through Si3N4 was observed in either the inflight or ground based experiments. The ground based results show good qualitative correlation with the LEO flight results, indicating that ground based facilities such as the one at Los Alamos National Lab can reproduce space flight data from LEO.

  13. Simulation of the synergistic low Earth orbit effects of vacuum thermal cycling, vacuum UV radiation, and atomic oxygen

    Science.gov (United States)

    Dever, Joyce A.; Degroh, Kim K.; Stidham, Curtis R.; Stueber, Thomas J.; Dever, Therese M.; Rodriguez, Elvin; Terlep, Judith A.

    1992-01-01

    In order to assess the low Earth orbit (LEO) durability of candidate space materials, it is necessary to use ground laboratory facilities which provide LEO environmental effects. A facility combining vacuum thermal cycling and vacuum ultraviolet (VUV) radiation has been designed and constructed at NASA Lewis Research Center for this purpose. This facility can also be operated without the VUV lamps. An additional facility can be used to provide VUV exposure only. By utilizing these facilities, followed by atomic oxygen exposure in an RF plasma asher, the effects of the individual vacuum thermal cycling and VUV environments can be compared to the effect of the combined vacuum thermal cycling/VUV environment on the atomic oxygen durability of materials. The synergistic effects of simulated LEO environmental conditions on materials were evaluated by first exposing materials to vacuum thermal cycling, VUV, and vacuum thermal cycling/VUV environments followed by exposure to atomic oxygen in an RP plasma asher. Candidate space power materials such as atomic oxygen protected polyimides and solar concentrator mirrors were evaluated using these facilities. Characteristics of the Vacuum Thermal Cycling/VUV Exposure Facility which simulates the temperature sequences and solar ultraviolet radiation exposure that would be experienced by a spacecraft surface in LEO are discussed. Results of durability evaluations of some candidate space power materials to the simulated LEO environmental conditions will also be discussed. Such results have indicated that for some materials, atomic oxygen durability is affected by previous exposure to thermal cycling and/or VUV exposure.

  14. Imaging and manipulation of single viruses by atomic force microscopy

    NARCIS (Netherlands)

    Baclayon, M.; Wuite, G.J.L.; Roos, W.H.

    2010-01-01

    The recent developments in virus research and the application of functional viral particles in nanotechnology and medicine rely on sophisticated imaging and manipulation techniques at nanometre resolution in liquid, air and vacuum. Atomic force microscopy (AFM) is a tool that combines these

  15. Influence of average ion energy and atomic oxygen flux per Si atom on the formation of silicon oxide permeation barrier coatings on PET

    Science.gov (United States)

    Mitschker, F.; Wißing, J.; Hoppe, Ch; de los Arcos, T.; Grundmeier, G.; Awakowicz, P.

    2018-04-01

    The respective effect of average incorporated ion energy and impinging atomic oxygen flux on the deposition of silicon oxide (SiO x ) barrier coatings for polymers is studied in a microwave driven low pressure discharge with additional variable RF bias. Under consideration of plasma parameters, bias voltage, film density, chemical composition and particle fluxes, both are determined relative to the effective flux of Si atoms contributing to film growth. Subsequently, a correlation with barrier performance and chemical structure is achieved by measuring the oxygen transmission rate (OTR) and by performing x-ray photoelectron spectroscopy. It is observed that an increase in incorporated energy to 160 eV per deposited Si atom result in an enhanced cross-linking of the SiO x network and, therefore, an improved barrier performance by almost two orders of magnitude. Furthermore, independently increasing the number of oxygen atoms to 10 500 per deposited Si atom also lead to a comparable barrier improvement by an enhanced cross-linking.

  16. Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

    Science.gov (United States)

    Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

    2017-11-21

    Biological systems capitalize on the redox versatility of manganese to perform reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water. The reactions of manganese enzymes influence both human health and the global energy cycle. Important examples include the detoxification of reactive oxygen species by manganese superoxide dismutase, biosynthesis by manganese ribonucleotide reductase and manganese lipoxygenase, and water splitting by the oxygen-evolving complex of photosystem II. Although these enzymes perform very different reactions and employ structurally distinct active sites, manganese intermediates with peroxo, hydroxo, and oxo ligation are commonly proposed in catalytic mechanisms. These intermediates are also postulated in mechanisms of synthetic manganese oxidation catalysts, which are of interest due to the earth abundance of manganese. In this Account, we describe our recent efforts toward understanding O-O bond activation pathways of Mn III -peroxo adducts and hydrogen-atom transfer reactivity of Mn IV -oxo and Mn III -hydroxo complexes. In biological and synthetic catalysts, peroxomanganese intermediates are commonly proposed to decay by either Mn-O or O-O cleavage pathways, although it is often unclear how the local coordination environment influences the decay mechanism. To address this matter, we generated a variety of Mn III -peroxo adducts with varied ligand environments. Using parallel-mode EPR and Mn K-edge X-ray absorption techniques, the decay pathway of one Mn III -peroxo complex bearing a bulky macrocylic ligand was investigated. Unlike many Mn III -peroxo model complexes that decay to oxo-bridged-Mn III Mn IV dimers, decay of this Mn III -peroxo adduct yielded mononuclear Mn III -hydroxo and Mn IV -oxo products, potentially resulting from O-O bond activation of the Mn III -peroxo unit. These results highlight the role of ligand sterics in promoting the formation of mononuclear products and mark an important

  17. Realization of Arbitrary Positive-Operator-Value Measurement of Single Atomic Qubit via Cavity QED

    International Nuclear Information System (INIS)

    Yang, Han; Wei, Wu; Chun-Wang, Wu; Hong-Yi, Dai; Cheng-Zu, Li

    2008-01-01

    Positive-operator-value measurement (POVM) is the most general class of quantum measurement. We propose a scheme to deterministically implement arbitrary POVMs of single atomic qubit via cavity QED catalysed by only one ancilla atomic qubit. By appropriately entangling two atomic qubits and sequentially measuring the ancilla qubit, any POVM can be implemented step by step. As an application of our scheme, the realization of a specific POVM for optimal unambiguous discrimination (OUD) between two nonorthogonal states is given

  18. Realization of arbitrary positive-operator-value measurement of single atomic qubit via cavity QED

    International Nuclear Information System (INIS)

    Han Yang; Wu Wei; Wu Chunwang; Dai Hongyi; Li Chengzu

    2008-01-01

    Positive-operator-value measurement (POVM) is the most general class of quantum measurement. We propose a scheme to deterministically implement arbitrary POVMs of single atomic qubit via cavity QED catalysed by only one ancilla atomic qubit. By appropriately entangling two atomic qubits and sequentially measuring the ancilla qubit, any POVM can be implemented step by step. As an application of our scheme, the realization of a specific POVM for optimal unambiguous discrimination (OUD) between two nonorthogonal states is given. (authors)

  19. Realization of Arbitrary Positive-Operator-Value Measurement of Single Atomic Qubit via Cavity QED

    Science.gov (United States)

    Han, Yang; Wu, Wei; Wu, Chun-Wang; Dai, Hong-Yi; Li, Cheng-Zu

    2008-12-01

    Positive-operator-value measurement (POVM) is the most general class of quantum measurement. We propose a scheme to deterministically implement arbitrary POVMs of single atomic qubit via cavity QED catalysed by only one ancilla atomic qubit. By appropriately entangling two atomic qubits and sequentially measuring the ancilla qubit, any POVM can be implemented step by step. As an application of our scheme, the realization of a specific POVM for optimal unambiguous discrimination (OUD) between two nonorthogonal states is given.

  20. Atomic scale mass delivery driven by bend kink in single walled carbon nanotube

    International Nuclear Information System (INIS)

    Kan Biao; Ding Jianning; Ling Zhiyong; Yuan Ningyi; Cheng Guanggui

    2010-01-01

    The possibility of atomic scale mass delivery by bend kink in single walled carbon nanotube was investigated with the aid of molecular dynamics simulation. By keeping the bending angle while moving the tube end, the encapsulated atomic scale mass such as atom, molecule and atom group were successfully delivered through the nanotube. The van der Waals interaction between the encapsulated mass and the tube wall provided the driving force for the delivery. There were no dramatic changes in the van der Waals interaction, and a smooth and steady delivery was achieved when constant loading rate was applied. The influence of temperature on the atom group delivery was also analyzed. It is found raising temperature is harmful to the smooth movement of the atom group. However, the delivery rate can be promoted under higher temperature when the atom group is situated before the kink during the delivery.

  1. Study of the metastable singlet of molecular nitrogen and of oxygen atoms in discharges and post-discharges

    International Nuclear Information System (INIS)

    Magne, Lionel

    1991-01-01

    Whereas discharges in nitrogen, in oxygen and in their mixtures are used in many different industrial processes (surface treatment, nitridation, oxidation, and so on), in order to get a better knowledge on nitrogen electronic states, this research thesis reports the study of the metastable singlet state of molecular nitrogen, and of oxygen atoms in their fundamental state. The molecular metastable has been observed by far-UV optical emission spectroscopy, in the positive column of a continuous discharge and in time post-discharge. As far as continuous discharge is concerned, the author measured the vibrational distribution of this state. A kinetic model has been developed, and calculated vibrational distributions are in good agreement with measurements. The density of oxygen atoms in fundamental state in time post-discharge has been measured by far-UV absorption optical spectroscopy. The probability of atom re-association of glass walls is deduced from the obtained results [fr

  2. Trapping a single atom with a fraction of a photon using a photonic crystal nanocavity

    NARCIS (Netherlands)

    van Oosten, D.; Kuipers, L.

    2011-01-01

    We consider the interaction between a single rubidium atom and a photonic crystal nanocavity. Because of the ultrasmall mode volume of the nanocavity, an extremely strong coupling regime can be achieved in which the atom can shift the cavity resonance by many cavity linewidths. We show that this

  3. Resistance of Silicon-Containing Carbonized Lignin to Atomic Oxygen Erosion

    Science.gov (United States)

    Kajimoto, Takeshi; Hata, Toshimitsu; Tagawa, Masahito; Kojima, Hirotsugu; Hayakawa, Hajime

    Spacecraft in low Earth orbit (LEO) are exposed to atomic oxygen (AO). It is thus important to develop an environmentally friendly material that can be applied to the outer surfaces of spacecraft in LEO to protect them against AO. Carbonized material containing electroconductive graphitic microlayers is promising for this purpose. We produced carbonized lignin (CW) by separating wood in L-lactic acid and we investigated the AO erosion resistances of CW and CW containing Si. X-ray photoelectron spectroscopy (XPS) revealed that the O/C ratio increased on AO exposure. The CW sample without Si and CW samples containing 20% and 40% Si exhibited less erosion than CW samples containing 5% and 10% Si. XPS revealed that the presence of Si resulted in the formation of SiO2 on the sample surface. For CW with Si contents of 20% and 40%, the SiO2 coverage may be sufficiently large to prevent attack by AO.

  4. Chemical reactivity of hydrogen, nitrogen, and oxygen atoms at temperatures below 100 k

    Science.gov (United States)

    Mcgee, H. A., Jr.

    1973-01-01

    The synthesis of unusual compounds by techniques employing cryogenic cooling to retard their very extreme reactivity was investigated. Examples of such species that were studied are diimide (N2H2), cyclobutadiene (C4H4), cyclopropanone (C3H4O), oxirene (C2H2O), and many others. Special purpose cryogenically cooled inlet arrangements were designed such that the analyses incurred no warm-up of the cold, and frequently explosively unstable, compounds. Controlled energy electron impact techniques were used to measure critical potentials and to develop the molecular energetics and thermodynamics of these molecules and to gain some insight into their kinetic characteristics as well. Three and four carbon strained ring molecules were studied. Several reactions of oxygen and hydrogen atoms with simple molecules of H, N, C, and O in hard quench configurations were studied. And the quench stabilization of BH3 was explored as a model system in cryochemistry.

  5. Atomic Oxygen Treatment Technique for Removal of Smoke Damage from Paintings

    Science.gov (United States)

    Rutledge, S. K.; Banks, B. A.

    1997-01-01

    Soot deposits that can accumulate on surfaces of a painting during a fire can be difficult to clean from some types of paintings without damaging the underlying paint layers. A non-contact technique has been developed which can remove the soot by allowing a gas containing atomic oxygen to flow over the surface and chemically react with the soot to form carbon monoxide and carbon dioxide. The reaction is limited to the surface, so the underlying paint is not touched. The process can be controlled so that the cleaning can be stopped once the paint surface is reached. This paper describes the smoke exposure and cleaning of untreated canvas, acrylic gesso, and sections of an oil painting using this technique. The samples were characterized by optical microscopy and reflectance spectroscopy.

  6. High-pressure oxygenation of thin-wall YBCO single-domain samples

    International Nuclear Information System (INIS)

    Chaud, X; Savchuk, Y; Sergienko, N; Prikhna, T; Diko, P

    2008-01-01

    The oxygen annealing of ReBCO bulk material, necessary to achieve superconducting properties, usually induces micro- and macro-cracks. This leads to a crack-assisted oxygenation process that allows oxygenating large bulk samples faster than single crystals. But excellent superconducting properties are cancelled by the poor mechanical ones. More progressive oxygenation strategy has been shown to reduce drastically the oxygenation cracks. The problem then arises to keep a reasonable annealing time. The concept of bulk Y123 single-domain samples with thin-wall geometry has been introduced to bypass the inherent limitation due to a slow oxygen diffusion rate. But it is not enough. The use of a high oxygen pressure (16 MPa) enables to speed up further the process. It introduces a displacement in the equilibrium phase diagram towards higher temperatures, i.e., higher diffusion rates, to achieve a given oxygen content in the material. Remarkable results were obtained by applying such a high pressure oxygen annealing process on thin-wall single-domain samples. The trapped field of 16 mm diameter Y123 thin-wall single-domain samples was doubled (0.6T vs 0.3T at 77K) using an annealing time twice shorter (about 3 days). The initial development was made on thin bars. The advantage of thin-wall geometry is that such an annealing can be applied directly to a much larger sample

  7. Oxygen concentration of EuBa2Cu307-x in vacuum: an atom probe study II

    International Nuclear Information System (INIS)

    Camus, P.P.; Elswijk, H.B.; Melmed, A.J.

    1989-01-01

    Atom Probe mass analysis using a wide acceptance angle instrument was used to measure the oxygen content and metallic stoichiometry of the near-surface region of the superconducting ceramic oxide EuBa 2 Cu 3 0 7-x (x≅0.1) after exposure at 85K and room temperature in vacuum. An oxygen depleted layer formed by H 2 imaging must be removed before bulk concentrations are obtained. Room temperature holding in vacuum overnight then depletes the surface of oxygen to a depth of greater than 4 layers (1.2 nm). However, after holding the specimen at 85K for up to 3h either with or without an applied field, no detectable loss of oxygen occurred. Therefore, for short time vacuum exposures at liquid nitrogen temperatures and below, no oxygen loss is expected, however, significant oxygen loss occurs for 18h vacuum exposures at room temperature

  8. Ground-Laboratory to In-Space Atomic Oxygen Correlation for the Polymer Erosion and Contamination Experiment (PEACE) Polymers

    Science.gov (United States)

    Stambler, Arielle H.; Inoshita, Karen E.; Roberts, Lily M.; Barbagallo, Claire E.; deGroh, Kim K.; Banks, Bruce A.

    2011-01-01

    The Materials International Space Station Experiment 2 (MISSE 2) Polymer Erosion and Contamination Experiment (PEACE) polymers were exposed to the environment of low Earth orbit (LEO) for 3.95 years from 2001 to 2005. There were 41 different PEACE polymers, which were flown on the exterior of the International Space Station (ISS) in order to determine their atomic oxygen erosion yields. In LEO, atomic oxygen is an environmental durability threat, particularly for long duration mission exposures. Although spaceflight experiments, such as the MISSE 2 PEACE experiment, are ideal for determining LEO environmental durability of spacecraft materials, ground-laboratory testing is often relied upon for durability evaluation and prediction. Unfortunately, significant differences exist between LEO atomic oxygen exposure and atomic oxygen exposure in ground-laboratory facilities. These differences include variations in species, energies, thermal exposures and radiation exposures, all of which may result in different reactions and erosion rates. In an effort to improve the accuracy of ground-based durability testing, ground-laboratory to in-space atomic oxygen correlation experiments have been conducted. In these tests, the atomic oxygen erosion yields of the PEACE polymers were determined relative to Kapton H using a radio-frequency (RF) plasma asher (operated on air). The asher erosion yields were compared to the MISSE 2 PEACE erosion yields to determine the correlation between erosion rates in the two environments. This paper provides a summary of the MISSE 2 PEACE experiment; it reviews the specific polymers tested as well as the techniques used to determine erosion yield in the asher, and it provides a correlation between the space and ground laboratory erosion yield values. Using the PEACE polymers asher to in-space erosion yield ratios will allow more accurate in-space materials performance predictions to be made based on plasma asher durability evaluation.

  9. Toward quantum state tomography of a single polariton state of an atomic ensemble

    DEFF Research Database (Denmark)

    Christensen, S.L.; Béguin, J.B.; Sørensen, H.L.

    2013-01-01

    We present a proposal and a feasibility study for the creation and quantum state tomography of a single polariton state of an atomic ensemble. The collective non-classical and non-Gaussian state of the ensemble is generated by detection of a single forward-scattered photon. The state is subsequen...... the feasibility of the proposed method for the detection of a non-classical and non-Gaussian state of the mesoscopic atomic ensemble. This work represents the first attempt at hybrid discrete-continuous variable quantum state processing with atomic memories.......We present a proposal and a feasibility study for the creation and quantum state tomography of a single polariton state of an atomic ensemble. The collective non-classical and non-Gaussian state of the ensemble is generated by detection of a single forward-scattered photon. The state...

  10. Single Pt Atoms Confined into a Metal-Organic Framework for Efficient Photocatalysis.

    Science.gov (United States)

    Fang, Xinzuo; Shang, Qichao; Wang, Yu; Jiao, Long; Yao, Tao; Li, Yafei; Zhang, Qun; Luo, Yi; Jiang, Hai-Long

    2018-02-01

    It is highly desirable yet remains challenging to improve the dispersion and usage of noble metal cocatalysts, beneficial to charge transfer in photocatalysis. Herein, for the first time, single Pt atoms are successfully confined into a metal-organic framework (MOF), in which electrons transfer from the MOF photosensitizer to the Pt acceptor for hydrogen production by water splitting under visible-light irradiation. Remarkably, the single Pt atoms exhibit a superb activity, giving a turnover frequency of 35 h -1 , ≈30 times that of Pt nanoparticles stabilized by the same MOF. Ultrafast transient absorption spectroscopy further unveils that the single Pt atoms confined into the MOF provide highly efficient electron transfer channels and density functional theory calculations indicate that the introduction of single Pt atoms into the MOF improves the hydrogen binding energy, thus greatly boosting the photocatalytic H 2 production activity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Shuttling single metal atom into and out of a metal nanoparticle.

    Science.gov (United States)

    Wang, Shuxin; Abroshan, Hadi; Liu, Chong; Luo, Tian-Yi; Zhu, Manzhou; Kim, Hyung J; Rosi, Nathaniel L; Jin, Rongchao

    2017-10-10

    It has long been a challenge to dope metal nanoparticles with a specific number of heterometal atoms at specific positions. This becomes even more challenging if the heterometal belongs to the same group as the host metal because of the high tendency of forming a distribution of alloy nanoparticles with different numbers of dopants due to the similarities of metals in outmost electron configuration. Herein we report a new strategy for shuttling a single Ag or Cu atom into a centrally hollow, rod-shaped Au 24 nanoparticle, forming AgAu 24 and CuAu 24 nanoparticles in a highly controllable manner. Through a combined approach of experiment and theory, we explain the shuttling pathways of single dopants into and out of the nanoparticles. This study shows that the single dopant is shuttled into the hollow Au 24 nanoparticle either through the apex or side entry, while shuttling a metal atom out of the Au 25 to form the Au 24 nanoparticle occurs mainly through the side entry.Doping a metal nanocluster with heteroatoms dramatically changes its properties, but it remains difficult to dope with single-atom control. Here, the authors devise a strategy to dope single atoms of Ag or Cu into hollow Au nanoclusters, creating precise alloy nanoparticles atom-by-atom.

  12. Photoionisation detection of single {sup 87}Rb-atoms using channel electron multipliers

    Energy Technology Data Exchange (ETDEWEB)

    Henkel, Florian Alexander

    2011-09-02

    Fast and efficient detection of single atoms is a universal requirement concerning modern experiments in atom physics, quantum optics, and precision spectroscopy. In particular for future quantum information and quantum communication technologies, the efficient readout of qubit states encoded in single atoms or ions is an elementary prerequisite. The rapid development in the field of quantum optics and atom optics in the recent years has enabled to prepare individual atoms as quantum memories or arrays of single atoms as qubit registers. With such systems, the implementation of quantum computation or quantum communication protocols seems feasible. This thesis describes a novel detection scheme which enables fast and efficient state analysis of single neutral atoms. The detection scheme is based on photoionisation and consists of two parts: the hyperfine-state selective photoionisation of single atoms and the registration of the generated photoion-electron pairs via two channel electron multipliers (CEMs). In this work, both parts were investigated in two separate experiments. For the first step, a photoionisation probability of p{sub ion}=0.991 within an ionisation time of t{sub ion}=386 ns is achieved for a single {sup 87}Rb-atom in an optical dipole trap. For the second part, a compact detection system for the ionisation fragments was developed consisting of two opposing CEM detectors. Measurements show that single neutral atoms can be detected via their ionisation fragments with a detection efficiency of {eta}{sub atom}=0.991 within a detection time of t{sub det}=415.5 ns. In a future combined setup, this will allow the state-selective readout of optically trapped, single neutral {sup 87}Rb-atoms via photoionisation detection with an estimated detection efficiency {eta}=0.982 and a detection time of t{sub tot} = 802 ns. Although initially developed for single {sup 87}Rb-atoms, the concept of photoionisation detection is in principle generally applicable to any

  13. Oxygen atom transfer reactions from Mimoun complexes to sulfides and sulfoxides. A bonding evolution theory analysis.

    Science.gov (United States)

    González-Navarrete, Patricio; Sensato, Fabricio R; Andrés, Juan; Longo, Elson

    2014-08-07

    In this research, a comprehensive theoretical investigation has been conducted on oxygen atom transfer (OAT) reactions from Mimoun complexes to sulfides and sulfoxides. The joint use of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool to analyze the evolution of chemical events along a reaction pathway. The progress of the reaction has been monitored by structural stability domains from ELF topology while the changes between them are controlled by turning points derived from CT which reveal that the reaction mechanism can be separated in several steps: first, a rupture of the peroxo O1-O2 bond, then a rearrangement of lone pairs of the sulfur atom occurs and subsequently the formation of S-O1 bond. The OAT process involving the oxidation of sulfides and sulfoxides is found to be an asynchronous process where O1-O2 bond breaking and S-O1 bond formation processes do not occur simultaneously. Nucleophilic/electrophilic characters of both dimethyl sulfide and dimethyl sulfoxide, respectively, are sufficiently described by our results, which hold the key to unprecedented insight into the mapping of electrons that compose the bonds while the bonds change.

  14. Quartz-crystal microbalance study for characterizing atomic oxygen in plasma ash tools

    International Nuclear Information System (INIS)

    Srivastava, A.K.; Sakthivel, P.

    2001-01-01

    This article discusses the measurement of atomic oxygen (AO) concentrations in an oxygen discharge using a quartz-crystal microbalance (QCM). This is a device that has been previously used for monitoring thin-film deposition, among several other applications. The sensor consists of a silver-coated quartz crystal that oscillates at its specific resonant frequency (typically, at about 6 MHz), which is dependent on the mass of the crystal. When exposed to AO, the silver oxidizes rapidly, resulting in a change in its mass, and a consequent change in this frequency. The frequency change is measured with a counter, and when plotted versus time, it may be fit to a standard diffusion-limited oxide-growth model. This model is then used to determine the specific AO flux to the crystal, and by inference, to the wafer. Initial results of QCM measurements in the FusionGemini Plasma Asher (GPL TM -standard downstream microwave asher) and FusionGemini Enhanced Strip (GES TM -fluorine compatible enhanced strip asher) are presented in this article. The results indicate AO densities of the order of 10 12 cm -3 on the wafer. There is a marked increase in AO concentration with addition of nitrogen into the plasma, and a decrease in AO concentration with increasing pressure at constant flow. Effects of increasing the total plasma volume in the enhanced strip tool on AO production are discussed

  15. Multiple ionization and coupling effects in L-subshell ionization of heavy atoms by oxygen ions

    International Nuclear Information System (INIS)

    Pajek, M.; Banas, D.; Semaniak, J.; Braziewicz, J.; Majewska, U.; Chojnacki, S.; Czyzewski, T.; Fijal, I.; Jaskola, M.; Glombik, A.; Kretschmer, W.; Trautmann, D.; Lapicki, G.; Mukoyama, T.

    2003-01-01

    The multiple-ionization and coupling effects in L-shell ionization of atoms by heavy-ion impact have been studied by measuring the L x-ray production cross sections in solid targets of Au, Bi, Th, and U bombarded by oxygen ions in the energy range 6.4-70 MeV. The measured L x-ray spectra were analyzed using the recently proposed method accounting for the multiple-ionization effects, such as x-ray line shifting and broadening, which enables one to obtain the ionization probabilities for outer shells. The L-subshell ionization cross sections have been obtained from measured x-ray production cross sections for resolved Lα 1,2 , Lγ 1 , and Lγ 2,3 transitions using the L-shell fluorescence and Coster-Kronig yields being substantially modified by the multiple ionization in the M and N shells. In particular, the effect of closing of strong L 1 -L 3 M 4,5 Coster-Kronig transitions in multiple-ionized atoms was evidenced and discussed. The experimental ionization cross sections for the L 1 , L 2 , and L 3 subshells have been compared with the predictions of the semiclassical approximation (SCA) and the ECPSSR theory that includes the corrections for the binding-polarization effect within the perturbed stationary states approximation, the projecticle energy loss, and Coulomb deflection effects as well as the relativistic description of inner-shell electrons. These approaches were further modified to include the L-subshell couplings within the ''coupled-subshell model'' (CSM). Both approaches, when modified for the coupling effects, are in better agreement with the data. Particularly, the predictions of the SCA-CSM calculations reproduce the experimental L-subshell ionization cross section reasonably well. Remaining discrepancies are discussed qualitatively, in terms of further modifications of the L-shell decay rates caused by a change of electronic wave functions in multiple-ionized atoms

  16. One-dimensional Si-in-Si(001) template for single-atom wire growth

    Science.gov (United States)

    Owen, J. H. G.; Bianco, F.; Köster, S. A.; Mazur, D.; Bowler, D. R.; Renner, Ch.

    2010-08-01

    Single atom metallic wires of arbitrary length are of immense technological and scientific interest. We present atomic-resolution scanning tunneling microscope data of a silicon-only template, which modeling predicts to enable the self-organized growth of isolated micrometer long surface and subsurface single-atom chains. It consists of a one-dimensional, defect-free Si reconstruction four dimers wide—the Haiku core—formed by hydrogenation of self-assembled Bi-nanolines on Si(001) terraces, independent of any step edges. We discuss the potential of this Si-in-Si template as an appealing alternative to vicinal surfaces for nanoscale patterning.

  17. Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution.

    Science.gov (United States)

    Li, Xiaogang; Bi, Wentuan; Zhang, Lei; Tao, Shi; Chu, Wangsheng; Zhang, Qun; Luo, Yi; Wu, Changzheng; Xie, Yi

    2016-03-23

    Isolated single-atom platinum (Pt) embedded in the sub-nanoporosity of 2D g-C3 N4 as a new form of co-catalyst is reported. The highly stable single-atom co-catalyst maximizes the atom efficiency and alters the surface trap states of g-C3 N4 , leading to significantly enhanced photocatalytic H2 evolution activity, 8.6 times higher than that of Pt nanoparticles and up to 50 times that for bare g-C3 N4 . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Role of mobile interstitial oxygen atoms in defect processes in oxides: Interconversion between oxygen-associated defects in SiO2 glass

    International Nuclear Information System (INIS)

    Kajihara, Koichi; Hirano, Masahiro; Skuja, Linards; Hosono, Hideo

    2004-01-01

    The role of mobile interstitial oxygen atoms (O 0 ) in defect processes in oxides is demonstrated by interconversion between the oxygen dangling bond and the peroxy radical (POR) in SiO 2 glass. Superstoichiometric O 0 was created by F 2 laser photolysis of the interstitial O 2 . On annealing above 300 deg. C, O 0 migrated and converted the oxygen dangling bond to POR. Exposure to 5.0 eV light converted POR back to a pair of the oxygen dangling bond and O 0 (quantum yield: ∼0.1). These findings suggest that various defect processes typically occurring in SiO 2 glass at ∼300-500 deg. C are related to migration of O 0 , which exists in the glass network in the peroxy linkage form

  19. Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling.

    Science.gov (United States)

    Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki

    2016-01-07

    Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene.

  20. Three-dimensional rearrangement of single atoms using actively controlled optical microtraps.

    Science.gov (United States)

    Lee, Woojun; Kim, Hyosub; Ahn, Jaewook

    2016-05-02

    We propose and demonstrate three-dimensional rearrangements of single atoms. In experiments performed with single 87Rb atoms in optical microtraps actively controlled by a spatial light modulator, we demonstrate various dynamic rearrangements of up to N = 9 atoms including rotation, 2D vacancy filling, guiding, compactification, and 3D shuffling. With the capability of a phase-only Fourier mask to generate arbitrary shapes of the holographic microtraps, it was possible to place single atoms at arbitrary geometries of a few μm size and even continuously reconfigure them by conveying each atom. For this purpose, we loaded a series of computer-generated phase masks in the full frame rate of 60 Hz of the spatial light modulator, so the animation of phase mask transformed the holographic microtraps in real time, driving each atom along the assigned trajectory. Possible applications of this method of transformation of single atoms include preparation of scalable quantum platforms for quantum computation, quantum simulation, and quantum many-body physics.

  1. Voronoj-Dirichlet polyhedrons of uranium atoms and the rule of eighteen electrons in uranium oxygen-containing complexes

    International Nuclear Information System (INIS)

    Serezhkina, L.B.; Serezhkin, V.N.

    1996-01-01

    Potentiality of employing the Voronoj-Dirichlet model of interatomic interaction of uranyl compounds containing sulfate, phosphate, silicate-, carbonate- or nitrate-ions is analyzed. Average electron contribution of oxygen atom into valency shell of one uranium atom is defined by ligand nature and its coordination type, but it does not depend on uranium coordination number. It is shown that the model permits not only defining coordination number of complexing agent atom, but making a quantitative prediction of interrelation between composition, structure and properties of not completely understood compounds. 7 refs., 1 tab

  2. Spin magnetic moments from single atoms to small Cr clusters

    Energy Technology Data Exchange (ETDEWEB)

    Boeglin, C.; Decker, R.; Bulou, H.; Scheurer, F.; Chado, I. [IPCMS-GSI - UMR 7504, 67037 Strasbourg Cedex (France); Ohresser, P. [LURE, 91405 Orsay (France); Dhesi, S.S. [ESRF, BP 220, 38043 Grenoble Cedex (France); Present permanent address: Diamond Light Source, Chilton, Didcot OX11 0QX (United Kingdom); Gaudry, E. [LMCP, 4, place Jussieu, 75252 Paris (France); Lazarovits, B. [CCMS, T.U. Vienna, Gumpendorfstr. 1a, 1060 Wien (Austria)

    2005-07-01

    Morphology studies at the first stages of the growth of Cr/Au(111) are reported and compared to the magnetic properties of the nanostructures. We analyze by Scanning Tunneling Microscopy and Low Energy Electron Diffraction the Cr clusters growth between 200 K and 300 K. In the early stages of the growth the morphology of the clusters shows monoatomic high islands located at the kinks of the herringbone reconstructed Au(111) surface. By X-ray Magnetic Circular Dichroism performed on the Cr L{sub 2,3} edges it is shown that the temperature dependent morphology strongly influences the magnetic properties of the Cr clusters. We show that in the sub-monolayer regime Cr clusters are antiferromagnetic and paramagnetic when the size reaches the atomic limit. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Optomechanical terahertz detection with single meta-atom resonator.

    Science.gov (United States)

    Belacel, Cherif; Todorov, Yanko; Barbieri, Stefano; Gacemi, Djamal; Favero, Ivan; Sirtori, Carlo

    2017-11-17

    Most of the common technologies for detecting terahertz photons (>1 THz) at room temperature rely on slow thermal devices. The realization of fast and sensitive detectors in this frequency range is indeed a notoriously difficult task. Here we propose a novel device consisting of a subwavelength terahertz meta-atom resonator, which integrates a nanomechanical element and allows energy exchange between the mechanical motion and the electromagnetic degrees of freedom. An incident terahertz wave thus produces a nanomechanical signal that can be read out optically with high precision. We exploit this concept to demonstrate a terahertz detector that operates at room temperature with high sensitivity and a much higher frequency response compared to standard detectors. Beyond the technological issue of terahertz detection, our architecture opens up new perspectives for fundamental science of light-matter interaction at terahertz frequencies, combining optomechanical approaches with semiconductor quantum heterostructures.

  4. Spin fluctuation effects on the conductance through a single Pd atom contact

    International Nuclear Information System (INIS)

    Romero, M A; Goldberg, E C; Gomez-Carrillo, S C; Bolcatto, P G

    2009-01-01

    A controversy about the conductance through single atoms still exists. There are many experiments where values lower than the quantum unity G 0 = 2e 2 /h have been found associated to Kondo regimes with high Kondo temperatures. Specifically in the Pd single atom contact, conductance values close to G 0 /2 at room temperature have been reported. In this work we propose a theoretical analysis of a break junction of Pd where the charge fluctuation in the single atom contact is limited to the most probable one: d 10 ↔d 9 . The projected density of states and the characteristics of the electron transport are calculated by using a realistic description of the interacting system. A Kondo regime is found where the conductance values and their dependence on temperature are in good agreement with the experimental trends observed in the conduction of single molecule transistors based on transition metal coordination complexes.

  5. Digital atom interferometer with single particle control on a discretized space-time geometry.

    Science.gov (United States)

    Steffen, Andreas; Alberti, Andrea; Alt, Wolfgang; Belmechri, Noomen; Hild, Sebastian; Karski, Michał; Widera, Artur; Meschede, Dieter

    2012-06-19

    Engineering quantum particle systems, such as quantum simulators and quantum cellular automata, relies on full coherent control of quantum paths at the single particle level. Here we present an atom interferometer operating with single trapped atoms, where single particle wave packets are controlled through spin-dependent potentials. The interferometer is constructed from a sequence of discrete operations based on a set of elementary building blocks, which permit composing arbitrary interferometer geometries in a digital manner. We use this modularity to devise a space-time analogue of the well-known spin echo technique, yielding insight into decoherence mechanisms. We also demonstrate mesoscopic delocalization of single atoms with a separation-to-localization ratio exceeding 500; this result suggests their utilization beyond quantum logic applications as nano-resolution quantum probes in precision measurements, being able to measure potential gradients with precision 5 x 10(-4) in units of gravitational acceleration g.

  6. Single-Atom Pd₁/Graphene Catalyst Achieved by Atomic Layer Deposition: Remarkable Performance in Selective Hydrogenation of 1,3-Butadiene.

    Science.gov (United States)

    Yan, Huan; Cheng, Hao; Yi, Hong; Lin, Yue; Yao, Tao; Wang, Chunlei; Li, Junjie; Wei, Shiqiang; Lu, Junling

    2015-08-26

    We reported that atomically dispersed Pd on graphene can be fabricated using the atomic layer deposition technique. Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy and X-ray absorption fine structure spectroscopy both confirmed that isolated Pd single atoms dominantly existed on the graphene support. In selective hydrogenation of 1,3-butadiene, the single-atom Pd1/graphene catalyst showed about 100% butenes selectivity at 95% conversion at a mild reaction condition of about 50 °C, which is likely due to the changes of 1,3-butadiene adsorption mode and enhanced steric effect on the isolated Pd atoms. More importantly, excellent durability against deactivation via either aggregation of metal atoms or carbonaceous deposits during a total 100 h of reaction time on stream was achieved. Therefore, the single-atom catalysts may open up more opportunities to optimize the activity, selectivity, and durability in selective hydrogenation reactions.

  7. Theoretical study on the photocatalytic properties of graphene oxide with single Au atom adsorption

    Science.gov (United States)

    Ju, Lin; Dai, Ying; Wei, Wei; Li, Mengmeng; Jin, Cui; Huang, Baibiao

    2018-03-01

    The photocatalytic properties of graphene oxide (GO) with single Au atom adsorption are studied via the first-principles calculations based on the density functional theory. The present study addresses the origin of enhancement in photocatalytic efficiency of GO derived from single Au atom depositing. Compared with the clean one, the work function of the single Au atom adsorbed GO is lowered due to the charge transfer from Au to GO, indicating enhanced surface activity. The Au atom plays as an electron trapping center and a mediating role in charge transfer from photon excited GO to target species. The photogenerated electron-hole pairs can be separated effectively. For the GO configuration with atomic Au dispersion, there are some states introduced in the band gap, which are predominantly composed of Au 6s states. Through the in-gap state, the photo-generated electron transfer from the valence band of clean GO to the conductive band more easily. In addition, the reduction of the gap in the system is also presented in the current work, which indicates that the single Au atom adsorption improves light absorption for the GO based photocatalyst. These theoretical results are valuable for the future applications of GO materials as photocatalyst for water splitting.

  8. Effects of Contamination, UV Radiation, and Atomic Oxygen on ISS Thermal Control Materials

    Science.gov (United States)

    Visentine, Jim; Finckenor, Miria; Zwiener, Jim; Munafo, Paul (Technical Monitor)

    2001-01-01

    Thermal control surfaces on the International Space Station (ISS) have been tailored for optimum optical properties. The space environment, particularly contamination, ultraviolet (UV) radiation, and atomic oxygen (AO) may have a detrimental effect on these optical properties. These effects must be quantified for modeling and planning. Also of interest was the effect of porosity on the reaction to simulated space environment. Five materials were chosen for this study based on their use on ISS. The thermal control materials were Z-93 white coating, silverized Teflon, chromic acid anodized aluminum, sulfuric acid anodized aluminum, and 7075-T6 aluminum. Some of the samples were exposed to RTV 560 silicone; others were exposed to Tefzel offgassing products. Two samples of Z-93 were not exposed to contamination as clean "controls". VUV radiation was used to photo-fix the contaminant to the material surface, then the samples were exposed to AO. All samples were exposed to 1000 equivalent sun-hours (ESH) of vacuum ultraviolet radiation (VUV) at the AZ Technology facility and a minimum of 1.5 x 10(exp 20) atoms/sq cm of AO at Marshall Space Flight Center. Half of the samples were exposed to an additional 2000 ESH of VUV at Huntington Beach prior to sent to AZ Technology. Darkening of the Z-93 white coating was noted after VUV exposure. AO exposure did bleach the Z-93 but not back to its original brightness. Solar absorptance curves show the degradation due to contamination and VUV and the recovery with AO exposure. More bleaching was noted on the Tefzel-contaminated samples than with the RTV-contaminated samples.

  9. Simultaneous Laser-induced Fluorescence of Nitric Oxide and Atomic Oxygen in the Hypersonic Materials Environment Test System Arcjet Facility

    Science.gov (United States)

    Johansen, Craig; Lincoln, Daniel; Bathel, Brett; Inman, Jennifer; Danehy, Paul

    2014-01-01

    Simultaneous nitric oxide (NO) and atomic oxygen (O) laser induced fluorescence (LIF) experiments were performed in the Hypersonic Materials Environmental Test System (HYMETS) facility at the NASA Langley Research Center. The data serves as an experimental database for validation for chemical and thermal nonequilibrium models used in hypersonic flows. Measurements were taken over a wide range of stagnation enthalpies (6.7 - 18.5 MJ/kg) using an Earth atmosphere simulant with a composition of 75% N2, 20% O2, and 5% Ar (by volume). These are the first simultaneous measurements of NO and O LIF to be reported in literature for the HYMETS facility. The maximum O LIF mean signal intensity was observed at a stagnation enthalpy of approximately 12 MJ/kg while the maximum NO LIF mean signal intensity was observed at a stagnation enthalpy of 6.7 MJ/kg. Experimental results were compared to simple fluorescence model that assumes equilibrium conditions in the plenum and frozen chemistry in the isentropic nozzle expansion (Mach 5). The equilibrium calculations were performed using CANTERA v2.1.1 with 16 species. The fluorescence model captured the correlation in mean O and NO LIF signal intensities over the entire range of stagnation enthalpies tested. Very weak correlations between single-shot O and NO LIF intensities were observed in the experiments at all of the stagnation enthalpy conditions.

  10. Probing the Quantum States of a Single Atom Transistor at Microwave Frequencies.

    Science.gov (United States)

    Tettamanzi, Giuseppe Carlo; Hile, Samuel James; House, Matthew Gregory; Fuechsle, Martin; Rogge, Sven; Simmons, Michelle Y

    2017-03-28

    The ability to apply gigahertz frequencies to control the quantum state of a single P atom is an essential requirement for the fast gate pulsing needed for qubit control in donor-based silicon quantum computation. Here, we demonstrate this with nanosecond accuracy in an all epitaxial single atom transistor by applying excitation signals at frequencies up to ≈13 GHz to heavily phosphorus-doped silicon leads. These measurements allow the differentiation between the excited states of the single atom and the density of states in the one-dimensional leads. Our pulse spectroscopy experiments confirm the presence of an excited state at an energy ≈9 meV, consistent with the first excited state of a single P donor in silicon. The relaxation rate of this first excited state to the ground state is estimated to be larger than 2.5 GHz, consistent with theoretical predictions. These results represent a systematic investigation of how an atomically precise single atom transistor device behaves under radio frequency excitations.

  11. Mechanical properties and formation mechanisms of a wire of single gold atoms

    DEFF Research Database (Denmark)

    Rubio-Bollinger, G.; Bahn, Sune Rastad; Agrait, N.

    2001-01-01

    A scanning tunneling microscope supplemented with a force sensor is used to study the mechanical properties of a novel metallic nanostructure: a freely suspended chain of single gold atoms. We find that the bond strength of the nanowire is about twice that of a bulk metallic bond. We perform ab i...... stiffness of the nanostructure is strongly affected by the detailed local atomic arrangement at the chain bases.......A scanning tunneling microscope supplemented with a force sensor is used to study the mechanical properties of a novel metallic nanostructure: a freely suspended chain of single gold atoms. We find that the bond strength of the nanowire is about twice that of a bulk metallic bond. We perform ab...... initio calculations of the force at chain fracture and compare quantitatively with experimental measurements. The observed mechanical failure and nanoelastic processes involved during atomic wire fabrication are investigated using molecular dynamics simulations, and we find that the total effective...

  12. Probabilistic Cloning of two Single-Atom States via Thermal Cavity

    Science.gov (United States)

    Rui, Pin-Shu; Liu, Dao-Jun

    2016-12-01

    We propose a cavity QED scheme for implementing the 1 → 2 probabilistic quantum cloning (PQC) of two single-atom states. In our scheme, after the to-be-cloned atom and the assistant atom passing through the first cavity, a measurement is carried out on the assistant atom. Based on the measurement outcome we can judge whether the PQC should be continued. If the cloning fails, the other operations are omitted. This makes our scheme economical. If the PQC is continued (with the optimal probability) according to the measurement outcome, two more cavities and some unitary operations are used for achieving the PQC in a deterministic way. Our scheme is insensitive to the decays of the cavities and the atoms.

  13. Atoms

    International Nuclear Information System (INIS)

    Fuchs, Alain; Villani, Cedric; Guthleben, Denis; Leduc, Michele; Brenner, Anastasios; Pouthas, Joel; Perrin, Jean

    2014-01-01

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  14. Polydimethylsiloxane/silica hybrid coatings protecting Kapton from atomic oxygen attack

    International Nuclear Information System (INIS)

    Duo Shuwang; Li Meishuan; Zhu Ming; Zhou Yanchun

    2008-01-01

    In order to improve the erosion resistance of spacecraft materials in atomic oxygen (AO) environments, a kind of polydimethylsiloxane (PDMS)/SiO 2 hybrid coatings has been prepared on Kapton by a sol-gel process. The tetraethoxysilane (TEOS) and silanol-terminated PDMS were used as two main precursors. The content of inorganic silica in the PDMS/SiO 2 hybrid coatings varied, achieving a maximum value of 40 wt% under the addition of a coupling agent. The PDMS/SiO 2 hybrid coatings possessed good adhesion and flexibility, improved thermal stability. The AO resistance of the hybrid coatings was investigated by exposure tests in the AO simulator. The results showed that the hybrid coatings had excellent AO resistance. The PDMS/SiO 2 (20 wt%) hybrid coating had an erosion rate two orders of magnitude slower than the polyimide film, and did not crack during AO exposure. The coating performance was also found to improve with increasing SiO 2 content

  15. Modeling of Transmittance Degradation Caused by Optical Surface Contamination by Atomic Oxygen Reaction with Adsorbed Silicones

    Science.gov (United States)

    Snyder, Aaron; Banks, Bruce; Miller, Sharon; Stueber, Thomas; Sechkar, Edward

    2001-01-01

    A numerical procedure is presented to calculate transmittance degradation caused by contaminant films on spacecraft surfaces produced through the interaction of orbital atomic oxygen (AO) with volatile silicones and hydrocarbons from spacecraft components. In the model, contaminant accretion is dependent on the adsorption of species, depletion reactions due to gas-surface collisions, desorption, and surface reactions between AO and silicone producing SiO(x), (where x is near 2). A detailed description of the procedure used to calculate the constituents of the contaminant layer is presented, including the equations that govern the evolution of fractional coverage by specie type. As an illustrative example of film growth, calculation results using a prototype code that calculates the evolution of surface coverage by specie type is presented and discussed. An example of the transmittance degradation caused by surface interaction of AO with deposited contaminant is presented for the case of exponentially decaying contaminant flux. These examples are performed using hypothetical values for the process parameters.

  16. Carbon fiber CVD coating by carbon nanostructured for space materials protection against atomic oxygen

    Science.gov (United States)

    Pastore, Roberto; Bueno Morles, Ramon; Micheli, Davide

    2016-07-01

    In recent years, the emphasis in space research has been shifting from space exploration to commercialization of space. In order to utilize space for commercial purposes it is necessary to understand the low earth orbit (LEO) space environment where most of the activities will be carried out. The studies on the LEO environment are mainly focused towards understanding the effect of atomic oxygen (AO) on spacecraft materials. In the first few shuttle flights, materials looked frosty because they were actually being eroded and textured: AO reacts with organic materials on spacecraft exteriors, gradually damaging them. When a spacecraft travel in LEO (where crewed vehicles and the International Space Station fly), the AO formed from the residual atmosphere can react with the spacecraft surfaces, causing damage to the vehicle. Polymers are widely used in space vehicles and systems as structural materials, thermal blankets, thermal control coatings, conformal coatings, adhesives, lubricants, etc. Exposure of polymers and composites to the space environment may result in different detrimental effects via modification of their chemical, electrical, thermal, optical and mechanical properties as well as surface erosion. The major degradation effects in polymers are due to their exposure to atomic oxygen, vacuum ultraviolet and synergistic effects, which result in different damaging effects by modification of the polymer's chemical properties. In hydrocarbon containing polymers the main AO effect is the surface erosion via chemical reactions and the release of volatile reaction products associated with the mass loss. The application of a thin protective coating to the base materials is one of the most commonly used methods of preventing AO degradation. The purpose is to provide a barrier between base material and AO environment or, in some cases, to alter AO reactions to inhibit its diffusion. The effectiveness of a coating depends on its continuity, porosity, degree of

  17. Single-atom trapping and transport in DMD-controlled optical tweezers

    OpenAIRE

    Stuart, Dustin; Kuhn, Axel

    2017-01-01

    We demonstrate the trapping and manipulation of single neutral atoms in reconfigurable arrays of optical tweezers. Our approach offers unparalleled speed by using a Texas Instruments Digital Micro-mirror Device (DMD) as a holographic amplitude modulator with a frame rate of 20,000 per second. We show the trapping of static arrays of up to 20 atoms, as well as transport of individually selected atoms over a distance of 25{\\mu}m with laser cooling and 4{\\mu}m without. We discuss the limitations...

  18. Application of optical single-sideband laser in Raman atom interferometry

    Science.gov (United States)

    Zhu, Lingxiao; Lien, Yu-Hung; Hinton, Andrew; Niggebaum, Alexander; Rammeloo, Clemens; Bongs, Kai; Holynski, Michael

    2018-03-01

    A frequency doubled I/Q modulator based optical single-sideband (OSSB) laser system is demonstrated for atomic physics research, specifically for atom interferometry where the presence of additional sidebands causes parasitic transitions. The performance of the OSSB technique and the spectrum after second harmonic generation are measured and analyzed. The additional sidebands are removed with better than 20 dB suppression, and the influence of parasitic transitions upon stimulated Raman transitions at varying spatial positions is shown to be removed beneath experimental noise. This technique will facilitate the development of compact atom interferometry based sensors with improved accuracy and reduced complexity.

  19. Single-atom trapping and transport in DMD-controlled optical tweezers

    Science.gov (United States)

    Stuart, Dustin; Kuhn, Axel

    2018-02-01

    We demonstrate the trapping and manipulation of single neutral atoms in reconfigurable arrays of optical tweezers. Our approach offers unparalleled speed by using a Texas instruments digital micro-mirror device as a holographic amplitude modulator with a frame rate of 20 000 per second. We show the trapping of static arrays of up to 20 atoms, as well as transport of individually selected atoms over a distance of 25 μm with laser cooling and 4 μm without. We discuss the limitations of the technique and the scope for technical improvements.

  20. Cooperative single-photon subradiant states in a three-dimensional atomic array

    Energy Technology Data Exchange (ETDEWEB)

    Jen, H.H., E-mail: sappyjen@gmail.com

    2016-11-15

    We propose a complete superradiant and subradiant states that can be manipulated and prepared in a three-dimensional atomic array. These subradiant states can be realized by absorbing a single photon and imprinting the spatially-dependent phases on the atomic system. We find that the collective decay rates and associated cooperative Lamb shifts are highly dependent on the phases we manage to imprint, and the subradiant state of long lifetime can be found for various lattice spacings and atom numbers. We also investigate both optically thin and thick atomic arrays, which can serve for systematic studies of super- and sub-radiance. Our proposal offers an alternative scheme for quantum memory of light in a three-dimensional array of two-level atoms, which is applicable and potentially advantageous in quantum information processing. - Highlights: • Cooperative single-photon subradiant states in a three-dimensional atomic array. • Subradiant state manipulation via spatially-increasing phase imprinting. • Quantum storage of light in the subradiant state in two-level atoms.

  1. Controlled Rephasing of Single Collective Spin Excitations in a Cold Atomic Quantum Memory.

    Science.gov (United States)

    Albrecht, Boris; Farrera, Pau; Heinze, Georg; Cristiani, Matteo; de Riedmatten, Hugues

    2015-10-16

    We demonstrate active control of inhomogeneous dephasing and rephasing for single collective atomic spin excitations (spin waves) created by spontaneous Raman scattering in a quantum memory based on cold 87Rb atoms. The control is provided by a reversible external magnetic field gradient inducing an inhomogeneous broadening of the atomic hyperfine levels. We demonstrate experimentally that active rephasing preserves the single photon nature of the retrieved photons. Finally, we show that the control of the inhomogeneous dephasing enables the creation of time-separated spin waves in a single ensemble followed by a selective read-out in time. This is an important step towards the implementation of a functional temporally multiplexed quantum repeater node.

  2. Single atom image observation by means of scanning transmission electron microscope

    International Nuclear Information System (INIS)

    Komoda, Tsutomu; Todokoro, Hideo; Nomura, Setsuo

    1977-01-01

    In a scanning transmission electron microscope, electrons emitted from the ion source are finely focused to a spot on a specimen, and scanned with the deflection coil. The electrons transmitted through the specimen are detected by the scintillate, and converted to image signals with the photomultiplier, and the image is obtained on the cathode ray tube. The Hitachi scanning transmission electron microscope employs a field emission type electron gun, thus it can focus the electron beam to 0.3 nm diameter. In the microscope, elastically scattered electrons are captured by a doughnut shaped detector, while the electrons transmitted through the specimen without colliding with atoms and the non-elastically scattered electrons which has lost a part of their energy due to the ionization or excitation of atoms are detected by the energy analyzer installed at the bottom of the microscope. Though single atom image observation requires the fixation of the atoms to be marked on a support, the problem is how to discriminate the aimed atoms from the atoms of the support. The most sensitive method is the dark-field method which uses the difference of elastically scattered electron intensity as the signal. Thorium and iodine atom images have been successfully observed as the trials to prove the feasibility of observation of heavy atoms with the scanning transmission electron microscope. (Wakatsuki, Y.)

  3. In situ atomic-scale observation of oxygen-driven core-shell formation in Pt3Co nanoparticles.

    Science.gov (United States)

    Dai, Sheng; You, Yuan; Zhang, Shuyi; Cai, Wei; Xu, Mingjie; Xie, Lin; Wu, Ruqian; Graham, George W; Pan, Xiaoqing

    2017-08-07

    The catalytic performance of core-shell platinum alloy nanoparticles is typically superior to that of pure platinum nanoparticles for the oxygen reduction reaction in fuel cell cathodes. Thorough understanding of core-shell formation is critical for atomic-scale design and control of the platinum shell, which is known to be the structural feature responsible for the enhancement. Here we reveal details of a counter-intuitive core-shell formation process in platinum-cobalt nanoparticles at elevated temperature under oxygen at atmospheric pressure, by using advanced in situ electron microscopy. Initial segregation of a thin platinum, rather than cobalt oxide, surface layer occurs concurrently with ordering of the intermetallic core, followed by the layer-by-layer growth of a platinum shell via Ostwald ripening during the oxygen annealing treatment. Calculations based on density functional theory demonstrate that this process follows an energetically favourable path. These findings are expected to be useful for the future design of structured platinum alloy nanocatalysts.Core-shell platinum alloy nanoparticles are promising catalysts for oxygen reduction, however a deeper understanding of core-shell formation is still required. Here the authors report oxygen-driven formation of core-shell Pt 3 Co nanoparticles, seen at the atomic scale with in situ electron microscopy at ambient pressure.

  4. Dynamics of an atomic wave packet in a standing-wave cavity field: A cavity-assisted single-atom detection

    International Nuclear Information System (INIS)

    Chough, Young-Tak; Nha, Hyunchul; Kim, Sang Wook; An, Kyungwon; Youn, Sun-Hyun

    2002-01-01

    We investigate the single-atom detection system using an optical standing-wave cavity, from the viewpoint of the quantized center-of-mass motion of the atomic wave packet. We show that since the atom-field coupling strength depends upon the overlap integral of the atomic wave packet and the field mode function, the effect of the wave-packet spreading via the momentum exchange process brings about a significant effect in the detection efficiency. We find that, as a result, the detection efficiency is not sensitive to the individual atomic trajectory for reasonably slow atoms. We also address an interesting phenomenon of the atomic wave-packet splitting occurring when an atom passes through a node of the cavity field

  5. Tailoring Thermal Conductivity of Single-stranded Carbon-chain Polymers through Atomic Mass Modification.

    Science.gov (United States)

    Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

    2016-10-07

    Tailoring the thermal conductivity of polymers is central to enlarge their applications in the thermal management of flexible integrated circuits. Progress has been made over the past decade by fabricating materials with various nanostructures, but a clear relationship between various functional groups and thermal properties of polymers remains to be established. Here, we numerically study the thermal conductivity of single-stranded carbon-chain polymers with multiple substituents of hydrogen atoms through atomic mass modification. We find that their thermal conductivity can be tuned by atomic mass modifications as revealed through molecular dynamics simulations. The simulation results suggest that heavy homogeneous substituents do not assist heat transport and trace amounts of heavy substituents can in fact hinder heat transport substantially. Our analysis indicates that carbon chain has the biggest contribution (over 80%) to the thermal conduction in single-stranded carbon-chain polymers. We further demonstrate that atomic mass modifications influence the phonon bands of bonding carbon atoms, and the discrepancies of phonon bands between carbon atoms are responsible for the remarkable drops in thermal conductivity and large thermal resistances in carbon chains. Our study provides fundamental insight into how to tailor the thermal conductivity of polymers through variable substituents.

  6. Mechanism of Oxygen Atom Transfer from Fe(V)(O) to Olefins at Room Temperature.

    Science.gov (United States)

    Singh, Kundan K; Tiwari, Mrityunjay K; Dhar, Basab B; Vanka, Kumar; Sen Gupta, Sayam

    2015-07-06

    In biological oxidations, the intermediate Fe(V)(O)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe(V)(O) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe(V)(O) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k2) for the reaction of different alkenes with Fe(V)(O) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k2 = 216 M(-1) s(-1)) and electron-deficient (methyl trans-cinnamate; k2 = 0.03 M(-1) s(-1)) substrates. This rate difference indicates the electrophilic character of Fe(V)(O). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett ρ value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.

  7. Facile embedding of single vanadium atoms at the anatase TiO2(101) surface.

    Science.gov (United States)

    Koust, Stig; Arnarson, Logi; Moses, Poul G; Li, Zheshen; Beinik, Igor; Lauritsen, Jeppe V; Wendt, Stefan

    2017-04-05

    To understand the structure-reactivity relationships for mixed-metal oxide catalysts, well-defined systems are required. Mixtures of vanadia and titania (TiO 2 ) are of particular interest for application in heterogeneous catalysis, with TiO 2 often acting as the support. By utilizing high-resolution scanning tunneling microscopy, we studied the interaction of vanadium (V) with the anatase TiO 2 (101) surface in the sub-monolayer regime. At 80 K, metallic V nucleates into homogeneously distributed clusters onto the terraces with no preference for nucleation at the step edges. However, embedding of single V atoms into TiO 2 occurs following annealing at room temperature. In conjunction with X-ray photoelectron spectroscopy data and density functional theory calculations, we propose that monomeric V atoms occupy positions of regular surface Ti sites, i.e., Ti atoms are substituted by V atoms.

  8. Characteristics of single-atom trapping in a magneto-optical trap with a high magnetic-field gradient

    International Nuclear Information System (INIS)

    Yoon, Seokchan; Choi, Youngwoon; Park, Sangbum; Ji, Wangxi; Lee, Jai-Hyung; An, Kyungwon

    2007-01-01

    A quantitative study on characteristics of a magneto-optical trap with a single or a few atoms is presented. A very small number of 85 Rb atoms were trapped in a micron-size magneto-optical trap with a high magnetic-field gradient. In order to find the optimum condition for a single-atom trap, we have investigated how the number of atoms and the size of atomic cloud change as various experimental parameters, such as a magnetic-field gradient and the trapping laser intensity and detuning. The averaged number of atoms was measured very accurately with a calibration procedure based on the single-atom saturation curve of resonance fluorescence. In addition, the number of atoms in a trap could be controlled by suppressing stochastic loading events by means of a real-time active feedback on the magnetic-field gradient

  9. Weighing a single atom using a coupled plasmon–carbon nanotube system

    Directory of Open Access Journals (Sweden)

    Jin-Jin Li and Ka-Di Zhu

    2012-01-01

    Full Text Available We propose an optical weighing technique with a sensitivity down to a single atom, using a surface plasmon and a doubly clamped carbon nanotube resonator. The mass of a single atom is determined via the vibrational frequency shift of the carbon nanotube while the atom attaches to the nanotube surface. Owing to the ultralight mass and high quality factor of the carbon nanotube, and the spectral enhancement by the use of surface plasmon, this method results in a narrow linewidth (kHz and high sensitivity (2.3×10−28 Hzcenterdot g−1, which is five orders of magnitude more sensitive than traditional electrical mass detection techniques.

  10. Development of a high flow source of energetic oxygen atoms for material degradation studies. [of Space Shuttles in low earth orbit environments

    Science.gov (United States)

    Caledonia, G. E.; Krech, R. H.

    1985-01-01

    A technique for the generation, in the laboratory, of thermally 'cold', high flux of energetic oxygen atoms is presented. The flux of nearly mono-energetic oxygen atoms is obtained after a laser-induced breakdown of oxygen molecules followed by a rapid expansion of the recombining plasma. The experimental apparatus, the optical and spectral measurements, the O-atom source characterization, and the material degradation studies are discussed. Average oxygen atom velocities of about 5 to 13 km/s are measured with an estimated flux of 10 to the 18th per pulse, over pulse durations of several microseconds. The flow of the O2 gas for about 200 microseconds before applying the laser pulse is found to give best results. It is also found that the energetic O-atom irradiation of sample targets such as Al, Fe, and polyethylene, induces mass removal. In addition, spectral scans of the radiation reveals the existence of two main spectral subsets.

  11. Mechanism of pulse discharge production of iodine atoms from CF3I molecules for a chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

    2009-01-01

    The pulsed chemical oxygen-iodine laser (COIL) development is aimed at many new applications. Pulsed electric discharge is most effective in turning COIL operation into the pulse mode by instant production of iodine atoms. A numerical model is developed for simulations of the pulsed COIL initiated by an electric discharge. The model comprises a system of kinetic equations for neutral and charged species, electric circuit equation, gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are found by solving the electron Boltzmann equation, which is re-calculated in a course of computations when plasma parameters changed. The processes accounted for in the Boltzmann equation include excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions, second-kind collisions and stepwise excitation of molecules. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. Results of numerical simulations are compared with experimental laser pulse waveforms. It is concluded that there is satisfactory agreement between theory and the experiment. The prevailing mechanism of iodine atom formation from the CF 3 I donor in a very complex kinetic system of the COIL medium under pulse discharge conditions, based on their detailed numerical modelling and by comparing these results both with experimental results of other authors and their own experiments, is established. The dominant iodine atom production mechanism for conditions under study is the electron-impact dissociation of CF 3 I molecules. It was proved that in the conditions of the experiment the secondary chemical reactions with O atoms play an insignificant role.

  12. Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst.

    Science.gov (United States)

    Cao, Xinrui; Fu, Qiang; Luo, Yi

    2014-05-14

    The single atom alloy of extended surfaces is known to provide remarkably enhanced catalytic performance toward heterogeneous hydrogenation. Here we demonstrate from first principles calculations that this approach can be extended to nanostructures, such as bimetallic nanoparticles. The catalytic properties of the single-Pd-doped Cu55 nanoparticles have been systemically examined for H2 dissociation as well as H atom adsorption and diffusion, following the concept of single atom alloy. It is found that doping a single Pd atom at the edge site of the Cu55 shell can considerably reduce the activation energy of H2 dissociation, while the single Pd atom doped at the top site or in the inner layers is much less effective. The H atom adsorption on Cu55 is slightly stronger than that on the Cu(111) surface; however, a larger nanoparticle that contains 147 atoms could effectively recover the weak binding of the H atoms. We have also investigated the H atom diffusion on the 55-atom nanoparticle and found that spillover of the produced H atoms could be a feasible process due to the low diffusion barriers. Our results have demonstrated that facile H2 dissociation and weak H atom adsorption could be combined at the nanoscale. Moreover, the effects of doping one more Pd atom on the H2 dissociation and H atom adsorption have also been investigated. We have found that both the doping Pd atoms in the most stable configuration could independently exhibit their catalytic activity, behaving as two single-atom-alloy catalysts.

  13. Shot noise as a probe of spin-polarized transport through single atoms

    DEFF Research Database (Denmark)

    Burtzlaff, Andreas; Weismann, Alexander; Brandbyge, Mads

    2015-01-01

    Single atoms on Au(111) surfaces have been contacted with the Au tip of a low temperature scanning tunneling microscope. The shot noise of the current through these contacts has been measured up to frequencies of 120 kHz and Fano factors have been determined to characterize the transport channels...

  14. Single atom doping for quantum device development in diamond and silicon

    NARCIS (Netherlands)

    Weis, C.D.; Schuh, A.; Batra, A.; Persaud, A.; Rangelow, I.W.; Bokor, J.; Lo, C.C.; Cabrini, S.; Sideras-Haddad, E.; Fuchs, G.D.; Hanson, R.; Awschalom, D.D.; Schenkel, T.

    2008-01-01

    The ability to inject dopant atoms with high spatial resolution, flexibility in dopant species, and high single ion detection fidelity opens opportunities for the study of dopant fluctuation effects and the development of devices in which function is based on the manipulation of quantum states in

  15. Single-molecule force spectroscopy: optical tweezers, magnetic tweezers and atomic force microscopy

    Science.gov (United States)

    Neuman, Keir C.; Nagy, Attila

    2012-01-01

    Single-molecule force spectroscopy has emerged as a powerful tool to investigate the forces and motions associated with biological molecules and enzymatic activity. The most common force spectroscopy techniques are optical tweezers, magnetic tweezers and atomic force microscopy. These techniques are described and illustrated with examples highlighting current capabilities and limitations. PMID:18511917

  16. A high performance catalyst for methane conversion to methanol: graphene supported single atom Co.

    Science.gov (United States)

    Yuan, Jinyun; Zhang, Wenhua; Li, Xingxing; Yang, Jinlong

    2018-02-27

    Employing first principles calculations, we show a two-step reaction mechanism for direct methane oxidation to methanol over a single atom Co-embedded graphene (Gr) catalyst, with N 2 O as the O-donor molecule. C-H activation is the rate-limiting step. The high reaction activity and selectivity under mild conditions were predicted for this catalyst.

  17. Ternary logic implemented on a single dopant atom field effect silicon transistor

    NARCIS (Netherlands)

    Klein, M.; Mol, J.A.; Verduijn, J.; Lansbergen, G.P.; Rogge, S.; Levine, R.D.; Remacle, F.

    2010-01-01

    We provide an experimental proof of principle for a ternary multiplier realized in terms of the charge state of a single dopant atom embedded in a fin field effect transistor (Fin-FET). Robust reading of the logic output is made possible by using two channels to measure the current flowing through

  18. Conduction channels at finite bias in single-atom gold contacts

    DEFF Research Database (Denmark)

    Brandbyge, Mads; Kobayashi, Nobuhiko; Tsukada, Masaru

    1999-01-01

    We consider the effect of a finite voltage bias on the conductance of single-atom gold contacts. We employ a nonorthogonal spn-tight-binding Hamiltonian combined with a local charge neutrality assumption. The conductance and charge distributions for finite bias are calculated using...

  19. Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.

    Science.gov (United States)

    Liu, Lichen; Corma, Avelino

    2018-04-16

    Metal species with different size (single atoms, nanoclusters, and nanoparticles) show different catalytic behavior for various heterogeneous catalytic reactions. It has been shown in the literature that many factors including the particle size, shape, chemical composition, metal-support interaction, and metal-reactant/solvent interaction can have significant influences on the catalytic properties of metal catalysts. The recent developments of well-controlled synthesis methodologies and advanced characterization tools allow one to correlate the relationships at the molecular level. In this Review, the electronic and geometric structures of single atoms, nanoclusters, and nanoparticles will be discussed. Furthermore, we will summarize the catalytic applications of single atoms, nanoclusters, and nanoparticles for different types of reactions, including CO oxidation, selective oxidation, selective hydrogenation, organic reactions, electrocatalytic, and photocatalytic reactions. We will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities (single atoms, nanoclusters, and nanoparticles) in a unifying manner.

  20. Functionalised metal-organic frameworks : A novel approach to stabilising single metal atoms

    NARCIS (Netherlands)

    Szilagyi, P.A.; Rogers, D. M.; Zaiser, I.; Callini, E; Turner, Stuart; Borgschulte, A; Züttel, A.; Geerlings, J.J.C.; Hirscher, M; Dam, B.

    2017-01-01

    We have investigated the potential of metal-organic frameworks for immobilising single atoms of transition metals using a model system of Pd supported on NH2-MIL-101(Cr). Our transmission electron microscopy and in situ Raman spectroscopy results give evidence for the first time that

  1. Oxygen-driving and atomized mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia.

    Science.gov (United States)

    Yang, Fang

    2015-07-01

    This paper aimed to discuss the method, effect and safety of oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing in the treatment of children severe bronchial pneumonia. Totally 90 children with severe bronchial pneumonia who were treated in our hospital from March 2013 to November 2013 were selected as the research objects. Based on randomized controlled principle, those children were divided into control group, test group I and test group II according to the time to enter the hospital, 30 in each group. Patients in control group was given conventional therapy; test group I was given holistic nursing combined with conventional therapy; test group II was given oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing on the basis of conventional therapy. After test, the difference of main symptoms in control group, test group I and II was of no statistical significance (P>0.05). Test group II was found with the best curative effect, secondary was test group I and control group was the last. It can be concluded that, oxygen-driving and atomized Mucosolvan inhalation combined with holistic nursing has certain effect in the treatment of children severe bronchial pneumonia and is better than holistic nursing only.

  2. Oxygen-atom transfer chemistry and thermolytic properties of a di-tert-butylphosphate-ligated Mn4O4 cubane.

    Science.gov (United States)

    Van Allsburg, Kurt M; Anzenberg, Eitan; Drisdell, Walter S; Yano, Junko; Tilley, T Don

    2015-03-16

    [Mn4O4{O2P(OtBu)2}6] (1), an Mn4O4 cubane complex combining the structural inspiration of the photosystem II oxygen-evolving complex with thermolytic precursor ligands, was synthesized and fully characterized. Core oxygen atoms within complex 1 are transferred upon reaction with an oxygen-atom acceptor (PEt3), to give the butterfly complex [Mn4O2{O2P(OtBu)2}6(OPEt3)2]. The cubane structure is restored by reaction of the latter complex with the O-atom donor PhIO. Complex 1 was investigated as a precursor to inorganic Mn metaphosphate/pyrophosphate materials, which were studied by X-ray absorption spectroscopy to determine the fate of the Mn4O4 unit. Under the conditions employed, thermolyses of 1 result in reduction of the manganese to Mn(II) species. Finally, the related butterfly complex [Mn4O2{O2P(pin)}6(bpy)2] (pin = pinacolate) is described. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO2 surface: The case of terminal oxygen atom exchange

    Science.gov (United States)

    Kevorkyants, Ruslan; Sboev, Mikhail. N.; Chizhov, Yuri V.

    2017-05-01

    Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between 16O18O and terminal oxygen atom of a defect TiO2 surface, which is modeled by amorphous Ti8O16 nanocluster in excited S1 electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O3- chemisorption species match well EPR data on O2 adsorption on UV-irradiated nanocrystalline TiO2. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction's mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VOx/TiO2 reported earlier.

  4. Resonant interaction of a single atom with single photons from a down-conversion source

    Science.gov (United States)

    Schuck, C.; Rohde, F.; Piro, N.; Almendros, M.; Huwer, J.; Mitchell, M. W.; Hennrich, M.; Haase, A.; Dubin, F.; Eschner, J.

    2010-01-01

    We observe the interaction of a single trapped calcium ion with single photons produced by a narrow-band, resonant down-conversion source [A. Haase , Opt. Lett. 34, 55 (2009)], employing a quantum jump scheme. Using the temperature dependence of the down-conversion spectrum and the tunability of the narrow source, absorption of the down-conversion photons is quantitatively characterized.

  5. Role of N2 molecules in pulse discharge production of I atoms for a pulsed chemical oxygen-iodine laser

    International Nuclear Information System (INIS)

    Kochetov, I V; Napartovich, A P; Vagin, N P; Yuryshev, N N

    2011-01-01

    A pulsed electric discharge is the most effective means to turn chemical oxygen-iodine laser (COIL) operation into the pulse mode by fast production of iodine atoms. Experimental studies and numerical simulations are performed on a pulsed COIL initiated by an electric discharge in a mixture CF 3 I : N 2 : O 2 ( 3 X) : O 2 (a 1 Δ g ) flowing out of a chemical singlet oxygen generator. A transverse pulsed discharge is realized at various iodide pressures. The model comprises a system of kinetic equations for neutral and charged species, the electric circuit equation, the gas thermal balance equation and the photon balance equation. Reaction rate coefficients for processes involving electrons are repeatedly re-calculated by the electron Boltzmann equation solver when the plasma parameters are changed. The processes accounted for in the Boltzmann equation include direct and stepwise excitation and ionization of atoms and molecules, dissociation of molecules, electron attachment processes, electron-ion recombination, electron-electron collisions and second-kind collisions. The last processes are particularly important because of a high singlet oxygen concentration in gas flow from the singlet oxygen chemical generator. A conclusion is drawn about satisfactory agreement between the theory and the experiment.

  6. Single-atom catalysts for CO2electroreduction with significant activity and selectivity improvements.

    Science.gov (United States)

    Back, Seoin; Lim, Juhyung; Kim, Na-Young; Kim, Yong-Hyun; Jung, Yousung

    2017-02-01

    A single-atom catalyst (SAC) has an electronic structure that is very different from its bulk counterparts, and has shown an unexpectedly high specific activity with a significant reduction in noble metal usage for CO oxidation, fuel cell and hydrogen evolution applications, although physical origins of such performance enhancements are still poorly understood. Herein, by means of density functional theory (DFT) calculations, we for the first time investigate the great potential of single atom catalysts for CO 2 electroreduction applications. In particular, we study a single transition metal atom anchored on defective graphene with single or double vacancies, denoted M@sv-Gr or M@dv-Gr, where M = Ag, Au, Co, Cu, Fe, Ir, Ni, Os, Pd, Pt, Rh or Ru, as a CO 2 reduction catalyst. Many SACs are indeed shown to be highly selective for the CO 2 reduction reaction over a competitive H 2 evolution reaction due to favorable adsorption of carboxyl (*COOH) or formate (*OCHO) over hydrogen (*H) on the catalysts. On the basis of free energy profiles, we identified several promising candidate materials for different products; Ni@dv-Gr (limiting potential U L = -0.41 V) and Pt@dv-Gr (-0.27 V) for CH 3 OH production, and Os@dv-Gr (-0.52 V) and Ru@dv-Gr (-0.52 V) for CH 4 production. In particular, the Pt@dv-Gr catalyst shows remarkable reduction in the limiting potential for CH 3 OH production compared to any existing catalysts, synthesized or predicted. To understand the origin of the activity enhancement of SACs, we find that the lack of an atomic ensemble for adsorbate binding and the unique electronic structure of the single atom catalysts as well as orbital interaction play an important role, contributing to binding energies of SACs that deviate considerably from the conventional scaling relation of bulk transition metals.

  7. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO{sub 2} surface: The case of terminal oxygen atom exchange

    Energy Technology Data Exchange (ETDEWEB)

    Kevorkyants, Ruslan, E-mail: ruslan.kevorkyants@gmail.com; Sboev, Mikhail N.; Chizhov, Yuri V.

    2017-05-01

    Highlights: • DFT R1 mechanism of photostimulated oxygen isotope exchange between {sup 16}O{sup 18}O and terminal oxygen atom of a defect surface of nanocrystalline TiO{sub 2} is proposed. • The mechanism involves four adsorption intermediates and five transition states. • Activation energy of the reaction is 0.24 eV. • G-tensors of O{sub 3}{sup −} intermediates match EPR data on O{sub 2} adsorbed on UV-irradiated TiO{sub 2} surface. - Abstract: Based on density functional theory we propose R1 mechanism of photostimulated oxygen isotope exchange (POIEx) reaction between {sup 16}O{sup 18}O and terminal oxygen atom of a defect TiO{sub 2} surface, which is modeled by amorphous Ti{sub 8}O{sub 16} nanocluster in excited S{sup 1} electronic state. The proposed mechanism involves four adsorption intermediates and five transition states. The computed activation energy of the POIEx equals 0.24 eV. The computed g-tensors of the predicted ozonide O{sub 3}{sup −} chemisorption species match well EPR data on O{sub 2} adsorption on UV-irradiated nanocrystalline TiO{sub 2}. This match serves a mean of justification of the proposed R1 mechanism of the POIEx reaction. In addition, it is found that the proposed R1 POIEx reaction’s mechanism differs from R1 mechanism of thermo-assisted OIEx reaction on a surface of supported vanadium oxide catalyst VO{sub x}/TiO{sub 2} reported earlier.

  8. Effect of Solar Exposure on the Atomic Oxygen Erosion of Hubble Space Telescope Aluminized-Teflon Thermal Shields

    Science.gov (United States)

    Guo, Aobo; Ashmead, Claire C.; deGroh, Kim K.

    2012-01-01

    When exposed to low Earth orbital (LEO) environment, external spacecraft materials degrade due to radiation, thermal cycling, micrometeoroid and debris impacts, and atomic oxygen (AO) interaction. Collisions between AO and spacecraft can result in oxidation of external spacecraft surface materials, which can lead to erosion and severe structural and/or optical property deterioration. It is therefore essential to understand the AO erosion yield (Ey), the volume loss per incident oxygen atom (cu cm/atom), of polymers to assure durability of spacecraft materials. The objective of this study was to determine whether solar radiation exposure can increase the rate of AO erosion of polymers in LEO. The material studied was a section of aluminized-Teflon (DuPont) fluorinated ethylene propylene (Al-FEP) thermal shield exposed to space on the Hubble Space Telescope (HST) for 8.25 years. Retrieved samples were sectioned from the circular thermal shield and exposed to ground laboratory thermal energy AO. The results indicate that the average Ey of the solar facing HST Al-FEP was 1.9 10(exp -24)cu cm/atom, while the average Ey of the anti-solar HST Al-FEP was 1.5 10(exp -24)cu cm/atom. The Ey of the pristine samples was 1.6- 1.7 10(exp -24)cu cm/atom. These results indicate that solar exposure affects the post-flight erosion rate of FEP in a plasma asher. Therefore, it likely affects the erosion rate while in LEO.

  9. Support effects on adsorption and catalytic activation of O2 in single atom iron catalysts with graphene-based substrates.

    Science.gov (United States)

    Gao, Zheng-Yang; Yang, Wei-Jie; Ding, Xun-Lei; Lv, Gang; Yan, Wei-Ping

    2018-03-07

    The adsorption and catalytic activation of O 2 on single atom iron catalysts with graphene-based substrates were investigated systematically by density functional theory calculation. It is found that the support effects of graphene-based substrates have a significant influence on the stability of the single atom catalysts, the adsorption configuration, the electron transfer mechanism, the adsorption energy and the energy barrier. The differences in the stable adsorption configuration of O 2 on single atom iron catalysts with different graphene-based substrates can be well understood by the symmetrical matching principle based on frontier molecular orbital analysis. There are two different mechanisms of electron transfer, in which the Fe atom acts as the electron donor in single vacancy graphene-based substrates while the Fe atom mainly acts as the bridge for electron transfer in double vacancy graphene-based substrates. The Fermi softness and work function are good descriptors of the adsorption energy and they can well reveal the relationship between electronic structure and adsorption energy. This single atom iron catalyst with single vacancy graphene modified by three nitrogen atoms is a promising non-noble metal single atom catalyst in the adsorption and catalytic oxidation of O 2 . Furthermore, the findings can lay the foundation for the further study of graphene-based support effects and provide a guideline for the development and design of new non-noble-metal single atom catalysts.

  10. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  11. Low Po2 conditions induce reactive oxygen species formation during contractions in single skeletal muscle fibers

    OpenAIRE

    Zuo, Li; Shiah, Amy; Roberts, William J.; Chien, Michael T.; Wagner, Peter D.; Hogan, Michael C.

    2013-01-01

    Contractions in whole skeletal muscle during hypoxia are known to generate reactive oxygen species (ROS); however, identification of real-time ROS formation within isolated single skeletal muscle fibers has been challenging. Consequently, there is no convincing evidence showing increased ROS production in intact contracting fibers under low Po2 conditions. Therefore, we hypothesized that intracellular ROS generation in single contracting skeletal myofibers increases during low Po2 compared wi...

  12. Microencapsulated 3-Dimensional Sensor for the Measurement of Oxygen in Single Isolated Pancreatic Islets

    Science.gov (United States)

    Khalil, Gamal; Sweet, Ian R.; Shen, Amy Q.

    2012-01-01

    Background Oxygen consumption reflects multiple processes in pancreatic islets including mechanisms contributing to insulin secretion, oxidative stress and viability, providing an important readout in studies of islet function, islet viability and drug testing. Due to the scarcity, heterogeneity, and intrinsic kinetic properties of individual islets, it would be of great benefit to detect oxygen consumption by single islets. We present a novel method we have developed to image oxygen in single islets. Methodology/Principal Findings Using a microfluidics system, individual islets and a fluorescent oxygen-sensitive dye were encased within a thin alginate polymer layer. Insulin secretion by the encapsulated islets was normal. Fluorescent signal from the encased dye, detected using a standard inverted fluorescence microscope and digital camera, was stable and proportional to the amount of oxygen in the media. When integrated into a perifusion system, the sensing system detected changes in response to metabolic substrates, mitochondrial poisons, and induced-oscillations. Glucose responses averaged 30.1±7.1% of the response to a metabolic inhibitor (cyanide), increases were observed in all cases (n = 6), and the system was able to resolve changes in oxygen consumption that had a period greater than 0.5 minutes. The sensing system operated similarly from 2–48 hours following encapsulation, and viability and function of the islets were not significantly affected by the encapsulation process. Conclusions/Significance An oxygen-dependent dye situated around and within a pancreatic islet encapsulated by a thin layer of alginate was sensitive to changes in oxygen consumption, and was not harmful to the function or viability of islets over the course of two days. The microcapsule-based sensing method is particularly suited to assessing the effects of compounds (dose responses and time courses) and chronic changes occurring over the course of days. The approach should be

  13. Towards ALD thin film stabilized single-atom Pd1 catalysts.

    Science.gov (United States)

    Piernavieja-Hermida, Mar; Lu, Zheng; White, Anderson; Low, Ke-Bin; Wu, Tianpin; Elam, Jeffrey W; Wu, Zili; Lei, Yu

    2016-08-18

    Supported precious metal single-atom catalysts have shown interesting activity and selectivity in recent studies. However, agglomeration of these highly mobile mononuclear surface species can eliminate their unique catalytic properties. Here we study a strategy for synthesizing thin film stabilized single-atom Pd1 catalysts using atomic layer deposition (ALD). The thermal stability of the Pd1 catalysts is significantly enhanced by creating a nanocavity thin film structure. In situ infrared spectroscopy and Pd K-edge X-ray absorption spectroscopy (XAS) revealed that the Pd1 was anchored on the surface through chlorine sites. The thin film stabilized Pd1 catalysts were thermally stable under both oxidation and reduction conditions. The catalytic performance in the methanol decomposition reaction is found to depend on the thickness of protecting layers. While Pd1 catalysts showed promising activity at low temperature in a methanol decomposition reaction, 14 cycle TiO2 protected Pd1 was less active at high temperature. Pd L3 edge XAS indicated that the low reactivity compared with Pd nanoparticles is due to the strong adsorption of carbon monoxide even at 250 °C. These results clearly show that the ALD nanocavities provide a basis for future design of single-atom catalysts that are highly efficient and stable.

  14. Resonant interaction of a single atom with single photons from a down-conversion source

    International Nuclear Information System (INIS)

    Schuck, C.; Rohde, F.; Piro, N.; Almendros, M.; Huwer, J.; Mitchell, M. W.; Hennrich, M.; Haase, A.; Dubin, F.; Eschner, J.

    2010-01-01

    We observe the interaction of a single trapped calcium ion with single photons produced by a narrow-band, resonant down-conversion source [A. Haase et al., Opt. Lett. 34, 55 (2009)], employing a quantum jump scheme. Using the temperature dependence of the down-conversion spectrum and the tunability of the narrow source, absorption of the down-conversion photons is quantitatively characterized.

  15. Single-Photon Interference due to Motion in an Atomic Collective Excitation

    Science.gov (United States)

    Whiting, D. J.; Šibalić, N.; Keaveney, J.; Adams, C. S.; Hughes, I. G.

    2017-06-01

    We experimentally demonstrate the heralded generation of bichromatic single photons from an atomic collective spin excitation (CSE). The photon arrival times display collective quantum beats, a novel interference effect resulting from the relative motion of atoms in the CSE. A combination of velocity-selective excitation with strong laser dressing and the addition of a magnetic field allows for exquisite control of this collective beat phenomenon. The present experiment uses a diamond scheme with near-IR photons that can be extended to include telecommunications wavelengths or modified to allow storage and retrieval in an inverted-Y scheme.

  16. Atomic-scale structure of single-layer MoS2 nanoclusters

    DEFF Research Database (Denmark)

    Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2 n...... nanoparticles synthesized on Au(lll), and establishes a new picture of the active edge sires of the nanoclusters. The results demonstrate a way to get detailed atomic-scale information on catalysts in general....

  17. Statistical analysis of thermospheric gravity waves from Fabry-Perot Interferometer measurements of atomic oxygen

    Directory of Open Access Journals (Sweden)

    E. A. K. Ford

    2008-02-01

    Full Text Available Data from the Fabry-Perot Interferometers at KEOPS (Sweden, Sodankylä (Finland, and Svalbard (Norway, have been analysed for gravity wave activity on all the clear nights from 2000 to 2006. A total of 249 nights were available from KEOPS, 133 from Sodankylä and 185 from the Svalbard FPI. A Lomb-Scargle analysis was performed on each of these nights to identify the periods of any wave activity during the night. Comparisons between many nights of data allow the general characteristics of the waves that are present in the high latitude upper thermosphere to be determined. Comparisons were made between the different parameters: the atomic oxygen intensities, the thermospheric winds and temperatures, and for each parameter the distribution of frequencies of the waves was determined. No dependence on the number of waves on geomagnetic activity levels, or position in the solar cycle, was found. All the FPIs have had different detectors at various times, producing different time resolutions of the data, so comparisons between the different years, and between data from different sites, showed how the time resolution determines which waves are observed. In addition to the cutoff due to the Nyquist frequency, poor resolution observations significantly reduce the number of short-period waves (<1 h period that may be detected with confidence. The length of the dataset, which is usually determined by the length of the night, was the main factor influencing the number of long period waves (>5 h detected. Comparisons between the number of gravity waves detected at KEOPS and Sodankylä over all the seasons showed a similar proportion of waves to the number of nights used for both sites, as expected since the two sites are at similar latitudes and therefore locations with respect to the auroral oval, confirming this as a likely source region. Svalbard showed fewer waves with short periods than KEOPS data for a season when both had the same time resolution data

  18. Numerical simulation of physicochemical interactions between oxygen atom and phosphatidylcholine due to direct irradiation of atmospheric pressure nonequilibrium plasma to biological membrane with quantum mechanical molecular dynamics

    Science.gov (United States)

    Uchida, Satoshi; Yoshida, Taketo; Tochikubo, Fumiyoshi

    2017-10-01

    Plasma medicine is one of the most attractive applications using atmospheric pressure nonequilibrium plasma. With respect to direct contact of the discharge plasma with a biological membrane, reactive oxygen species play an important role in induction of medical effects. However, complicated interactions between the plasma radicals and membrane have not been understood well. In the present work, we simulated elemental processes at the first stage of physicochemical interactions between oxygen atom and phosphatidylcholine using the quantum mechanical molecular dynamics code in a general software AMBER. The change in the above processes was classified according to the incident energy of oxygen atom. At an energy of 1 eV, the abstraction of a hydrogen atom and recombination to phosphatidylcholine were simultaneously occurred in chemical attachment of incident oxygen atom. The exothermal energy of the reaction was about 80% of estimated one based on the bond energies of ethane. An oxygen atom over 10 eV separated phosphatidylcholine partially. The behaviour became increasingly similar to physical sputtering. The reaction probability of oxygen atom was remarkably high in comparison with that of hydrogen peroxide. These results suggest that we can uniformly estimate various physicochemical dynamics of reactive oxygen species against membrane lipids.

  19. Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

    Science.gov (United States)

    Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

    2018-03-01

    We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

  20. The emission of oxygen green line and density of O atom determined by using ISUAL and SABER measurements

    Directory of Open Access Journals (Sweden)

    H. Gao

    2012-04-01

    Full Text Available Emissions of the 557.7 nm green line airglow observed by the ISUAL (Imager of Sprites and Upper Atmospheric Lightning instrument on board the FORMOSAT-2 satellite in May and November 2008 are studied here to derive the density distributions of the atomic oxygen by using atmospheric parameters from MSISE-00 model and TIMED (Thermosphere Ionosphere Mesosphere Energetics and Dynamics/SABER (Sounding of the Atmosphere using Broadband Emission Radiometry measurements. The May observations were made in 10 days from a fixed orbit of longitude (100° E with the results showing emission rate and O atom density both peaked at heights of about 90 km over 10° to 20° latitudes in the Northern Hemisphere (NH. In the Southern Hemisphere (SH, the emission rate and density of O atom are both low compared with those in NH. In November, the observations were made as the satellite traveled over all 14 orbits around the earth, covering all longitudes and latitudes of 25° S–45° N. Strong peaks of emission rates and O atoms are found at heights of about 95 km in the mid-latitudes in both hemispheres. In the equator, the airglow layer has a weaker emission rate but with higher altitude compared with those of mid-latitudes. In the lower and upper mesosphere at heights below 85 km and above 105 km, there are more O atoms in the equatorial regions than in the mid-latitudes. And there is a good correlation between the O atom and the temperature structure. A comparison with O atom distribution derived from OH airglow observed by TIMED/SABER at about the same time shows similar results.

  1. Atomic force microscopy and spectroscopy to probe single membrane proteins in lipid bilayers.

    Science.gov (United States)

    Sapra, K Tanuj

    2013-01-01

    The atomic force microscope (AFM) has opened vast avenues hitherto inaccessible to the biological scientist. The high temporal (millisecond) and spatial (nanometer) resolutions of the AFM are suited for studying many biological processes in their native conditions. The AFM cantilever stylus is aptly termed as a "lab on a tip" owing to its versatility as an imaging tool as well as a handle to manipulate single bonds and proteins. Recent examples assert that the AFM can be used to study the mechanical properties and monitor processes of single proteins and single cells, thus affording insight into important mechanistic details. This chapter specifically focuses on practical and analytical protocols of single-molecule AFM methodologies related to high-resolution imaging and single-molecule force spectroscopy of membrane proteins. Both these techniques are operator oriented, and require specialized working knowledge of the instrument, theoretical, and practical skills.

  2. Probing living bacterial adhesion by single cell force spectroscopy using atomic force microscopy

    DEFF Research Database (Denmark)

    Zeng, Guanghong; Ogaki, Ryosuke; Regina, Viduthalai R.

    be considered. We have therefore developed a simple and versatile method to make single-cell bacterial probes for measuring single cell adhesion with atomic force microscopy (AFM).[1] A single-cell probe was readily made by picking up a bacterial cell from a glass surface using a tipless AFM cantilever coated...... with a commercial cell adhesive CellTakTM. The method was applied to four different bacterial strains, and single-cell adhesion was measured on three surfaces (fresh glass, hydrophilic glass, mica). Attachment to the cantilever was stable during the 2 h of AFM force measurements, and viability was confirmed by Live....../Dead fluorescence staining at the end of each experiment. The adhesion force and final rupture length were dependent on bacterial strains, surfaces properties, and time of contact. The single-cell probe offers control of the cell immobilization, thus holds advantages over the commonly used multi-cell probes where...

  3. A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1/γ-Al2O3(M=Pd, Fe, Co, and Ni).

    Science.gov (United States)

    Yang, Tao; Fukuda, Ryoichi; Hosokawa, Saburo; Tanaka, Tsunehiro; Sakaki, Shigeyoshi; Ehara, Masahiro

    2017-04-07

    Single-atom catalysts have attracted much interest recently because of their excellent stability, high catalytic activity, and remarkable atom efficiency. Inspired by the recent experimental discovery of a highly efficient single-atom catalyst Pd 1 /γ-Al 2 O 3 , we conducted a comprehensive DFT study on geometries, stabilities and CO oxidation catalytic activities of M 1 /γ-Al 2 O 3 (M=Pd, Fe, Co, and Ni) by using slab-model. One of the most important results here is that Ni 1 /Al 2 O 3 catalyst exhibits higher activity in CO oxidation than Pd 1 /Al 2 O 3 . The CO oxidation occurs through the Mars van Krevelen mechanism, the rate-determining step of which is the generation of CO 2 from CO through abstraction of surface oxygen. The projected density of states (PDOS) of 2 p orbitals of the surface O, the structure of CO-adsorbed surface, charge polarization of CO and charge transfer from CO to surface are important factors for these catalysts. Although the binding energies of Fe and Co with Al 2 O 3 are very large, those of Pd and Ni are small, indicating that the neighboring O atom is not strongly bound to Pd and Ni, which leads to an enhancement of the reactivity of the O atom toward CO. The metal oxidation state is suggested to be one of the crucial factors for the observed catalytic activity.

  4. Ultrafast quantum random access memory utilizing single Rydberg atoms in a Bose-Einstein condensate.

    Science.gov (United States)

    Patton, Kelly R; Fischer, Uwe R

    2013-12-13

    We propose a long-lived and rapidly accessible quantum memory unit, for which the operational Hilbert space is spanned by states involving the two macroscopically occupied hyperfine levels of a miscible binary atomic Bose-Einstein condensate and the Rydberg state of a single atom. It is shown that an arbitrary qubit state, initially prepared using a flux qubit, can be rapidly transferred to and from the trapped atomic ensemble in approximately 10 ns and with a large fidelity of 97%, via an effective two-photon process using an external laser for the transition to the Rydberg level. The achievable ultrafast transfer of quantum information therefore enables a large number of storage and retrieval cycles from the highly controllable quantum optics setup of a dilute ultracold gas, even within the typically very short flux qubit lifetimes of the order of microseconds.

  5. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    Science.gov (United States)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  6. Conductance of single-atom platinum contacts: Voltage dependence of the conductance histogram

    DEFF Research Database (Denmark)

    Nielsen, S.K.; Noat, Y.; Brandbyge, Mads

    2003-01-01

    The conductance of a single-atom contact is sensitive to the coupling of this contact atom to the atoms in the leads. Notably for the transition metals this gives rise to a considerable spread in the observed conductance values. The mean conductance value and spread can be obtained from the first...... peak in conductance histograms recorded from a large set of contact-breaking cycles. In contrast to the monovalent metals, this mean value for Pt depends strongly on the applied voltage bias and other experimental conditions and values ranging from about 1 G(0) to 2.5 G(0) (G(0)=2e(2)/h) have been...... reported. We find that at low bias the first peak in the conductance histogram is centered around 1.5 G(0). However, as the bias increases past 300 mV the peak shifts to 1.8 G(0). Here we show that this bias dependence is due to a geometric effect where monatomic chains are replaced by single-atom contacts...

  7. Optically pumped semiconductor lasers: Conception and characterization of a single mode source for Cesium atoms manipulation

    International Nuclear Information System (INIS)

    Cocquelin, B.

    2009-02-01

    Lasers currently used in atomic clocks or inertial sensors are suffering from a lack of power, narrow linewidth or compactness for future spatial missions. Optically pumped semiconductor lasers, which combine the approach of classical solid state lasers and the engineering of semiconductor laser, are considered here as a candidate to a metrological laser source dedicated to the manipulation of Cesium atoms in these instruments. These lasers have demonstrated high power laser emission in a circular single transverse mode, as well as single longitudinal mode emission, favoured by the semiconductor structure and the external cavity design. We study the definition and the characterization of a proper semiconductor structure for the cooling and the detection of Cesium atoms at 852 nm. A compact and robust prototype tunable on the Cesium D2 hyperfine structure is built. The laser frequency is locked to an atomic transition thanks to a saturated absorption setup. The emission spectral properties are investigated, with a particular attention to the laser frequency noise and the laser linewidth. Finally, we describe and model the thermal properties of the semiconductor structure, which enables the simulation of the laser power characteristic. The experimental parameters are optimised to obtain the maximum output power with our structure. Thanks to our analysis, we propose several ways to overcome these limitations, by reducing the structure heating. (authors)

  8. Quantum statistics of a single-atom Scovil-Schulz-DuBois heat engine

    Science.gov (United States)

    Li, Sheng-Wen; Kim, Moochan B.; Agarwal, Girish S.; Scully, Marlan O.

    2017-12-01

    We study the statistics of the lasing output from a single-atom quantum heat engine, which was originally proposed by Scovil and Schulz-DuBois [H. E. D. Scovil and E. O. Schulz-DuBois, Phys. Rev. Lett. 2, 262 (1959), 10.1103/PhysRevLett.2.262]. In this heat engine model, a single three-level atom is coupled with an optical cavity and is in contact with a hot and a cold heat bath together. We derive a fully quantum laser equation for this heat engine model and obtain the photon number distribution both below and above the lasing threshold. With the increase of the hot bath temperature, the population is inverted and lasing light comes out. However, we notice that if the hot bath temperature keeps increasing, the atomic decay rate is also enhanced, which weakens the lasing gain. As a result, another critical point appears at a very high temperature of the hot bath, after which the output light become thermal radiation again. To avoid this double-threshold behavior, we introduce a four-level heat engine model, where the atomic decay rate does not depend on the hot bath temperature. In this case, the lasing threshold is much easier to achieve and the double-threshold behavior disappears.

  9. Measurement of the indium segregation in InGaN based LEDs with single atom sensitivity

    International Nuclear Information System (INIS)

    Jinschek, Joerg; Kisielowski, Christian; Van Dyck, Dirk; Geuens, Philippe

    2003-01-01

    In light emitting diodes (LED) consisting of GaN/InGaN/GaN quantum wells (QWs), the exact indium distribution inside the wells of the active region affects the performance of devices. Indium segregation can take place forming small InGaN clusters of locally varying composition. In the past, we used a local strain analysis from single HRTEM lattice images to determine the In composition inside the InGaN QWs with a resolution of 0.5 nm x 0.3 nm. Truly atomic resolution can be pursued by exploitation of intensity dependencies on the atomic number (Z) of the electron exit-wave (EW). In microscopes with sufficient sensitivity, local variations of amplitude and phase are found to be discrete with sample thickness, which allows for counting the number of atoms in each individual column of ∼0.08 nm diameter. In QW s of ∼17 percent of average indium concentration it is possible to discriminate between pure Ga columns and columns containing 1, 2, 3, or more In atoms because phase changes are discrete and element specific. The preparation of samples with atomically flat surfaces is a limiting factor for the application of the procedure

  10. Steady-state entanglement of harmonic oscillators via dissipation in a single superconducting artificial atom

    Science.gov (United States)

    Wang, Fei; Nie, Wei; Feng, Xunli; Oh, C. H.

    2016-07-01

    The correlated emission lasing (CEL) is experimentally demonstrated in harmonic oscillators coupled via a single three-level artificial atom [Phys. Rev. Lett. 115, 223603 (2015), 10.1103/PhysRevLett.115.223603] in which two-mode entanglement only exists in a certain time period when the harmonic oscillators are resonant with the atomic transitions. Here we examine this system and show that it is possible to obtain the steady-state entanglement when the two harmonic oscillators are resonant with Rabi sidebands. Applying dressed atomic states and Bogoliubov-mode transformation, we obtain the analytical results of the variance sum of a pair of Einstein-Podolsky-Rosen (EPR)-like operators. The stable entanglement originates from the dissipation process of the Bogoliubov modes because the atomic system can act as a reservoir in dressed state representation. We also show that the entanglement is robust against the dephasing rates of the superconducing atom, which is expected to have important applications in quantum information processing.

  11. The giant acoustic atom - a single quantum system with a deterministic time delay

    Science.gov (United States)

    Guo, Lingzhen; Grimsmo, Arne; Frisk Kockum, Anton; Pletyukhov, Mikhail; Johansson, Göran

    2017-04-01

    We investigate the quantum dynamics of a single transmon qubit coupled to surface acoustic waves (SAWs) via two distant connection points. Since the acoustic speed is five orders of magnitude slower than the speed of light, the travelling time between the two connection points needs to be taken into account. Therefore, we treat the transmon qubit as a giant atom with a deterministic time delay. We find that the spontaneous emission of the system, formed by the giant atom and the SAWs between its connection points, initially follows a polynomial decay law instead of an exponential one, as would be the case for a small atom. We obtain exact analytical results for the scattering properties of the giant atom up to two-phonon processes by using a diagrammatic approach. The time delay gives rise to novel features in the reflection, transmission, power spectra, and second-order correlation functions of the system. Furthermore, we find the short-time dynamics of the giant atom for arbitrary drive strength by a numerically exact method for open quantum systems with a finite-time-delay feedback loop. L. G. acknowledges financial support from Carl-Zeiss Stiftung (0563-2.8/508/2).

  12. Quenching of Single-Walled Carbon Nanotube Fluorescence by Dissolved Oxygen Reveals Selective Single-Stranded DNA Affinities.

    Science.gov (United States)

    Zheng, Yu; Bachilo, Sergei M; Weisman, R Bruce

    2017-05-04

    The selective interactions between short oligomers of single-stranded DNA (ssDNA) and specific structures of single-walled carbon nanotubes have been exploited in powerful methods for nanotube sorting. We report here that nanotubes coated with ssDNA also display selective interactions through the selective quenching of nanotube fluorescence by dissolved oxygen. In aqueous solutions equilibrated under 1 atm of O 2 , emission intensity from semiconducting nanotubes is reduced by between 9 and 40%, varying with the combination of ssDNA sequence and nanotube structure. This quenching reverses promptly and completely on the removal of dissolved O 2 and may be due to physisorption on nanotube surfaces. Fluorescence quenching offers a simple, nondestructive approach for studying the structure-selective interactions of ssDNA with single-walled carbon nanotubes and identifying recognition sequences.

  13. Three-dimensional atomic models from a single projection using Z-contrast imaging: verification by electron tomography and opportunities.

    Science.gov (United States)

    De Backer, A; Jones, L; Lobato, I; Altantzis, T; Goris, B; Nellist, P D; Bals, S; Van Aert, S

    2017-06-29

    In order to fully exploit structure-property relations of nanomaterials, three-dimensional (3D) characterization at the atomic scale is often required. In recent years, the resolution of electron tomography has reached the atomic scale. However, such tomography typically requires several projection images demanding substantial electron dose. A newly developed alternative circumvents this by counting the number of atoms across a single projection. These atom counts can be used to create an initial atomic model with which an energy minimization can be applied to obtain a relaxed 3D reconstruction of the nanoparticle. Here, we compare, at the atomic scale, this single projection reconstruction approach with tomography and find an excellent agreement. This new approach allows for the characterization of beam-sensitive materials or where the acquisition of a tilt series is impossible. As an example, the utility is illustrated by the 3D atomic scale characterization of a nanodumbbell on an in situ heating holder of limited tilt range.

  14. Electrochemical reduction of CO2on graphene supported transition metals - towards single atom catalysts.

    Science.gov (United States)

    He, Haiying; Jagvaral, Yesukhei

    2017-05-10

    In this study, we have investigated the use of single metal atoms supported on defective graphene as catalysts for the electrochemical reduction of CO 2 using the first-principles approach and the computational hydrogen electrode model. Reaction pathways to produce a variety of C 1 products CO, HCOOH, HCHO, CH 3 OH and CH 4 have been studied in detail for five representative transition metals Ag, Cu, Pd, Pt, and Co. Different pathways were revealed in contrast to those found for metallic crystalline surfaces and nanoparticles. These single atom catalysts have demonstrated a general improvement in rate limiting potentials to generate C 1 hydrocarbons. They also show distinct differences in terms of their efficiency and selectivity in CO 2 reduction, which can be correlated with their elemental properties as a function of their group number in the periodic table. Six best candidates for CH 4 production are identified by conducting computational screening of 28 d-block transition metals. Ag has the lowest overpotential (0.73 V), and is followed by Zn, Ni, Pd, Pt and Ru with overpotentials all below 1 V. Cu in the supported single atom form shows a strong preference towards producing CH 3 OH with an overpotential of 0.68 V well below the value of 1.04 V for producing CH 4 .

  15. Simple Atomic Quantum Memory Suitable for Semiconductor Quantum Dot Single Photons.

    Science.gov (United States)

    Wolters, Janik; Buser, Gianni; Horsley, Andrew; Béguin, Lucas; Jöckel, Andreas; Jahn, Jan-Philipp; Warburton, Richard J; Treutlein, Philipp

    2017-08-11

    Quantum memories matched to single photon sources will form an important cornerstone of future quantum network technology. We demonstrate such a memory in warm Rb vapor with on-demand storage and retrieval, based on electromagnetically induced transparency. With an acceptance bandwidth of δf=0.66  GHz, the memory is suitable for single photons emitted by semiconductor quantum dots. In this regime, vapor cell memories offer an excellent compromise between storage efficiency, storage time, noise level, and experimental complexity, and atomic collisions have negligible influence on the optical coherences. Operation of the memory is demonstrated using attenuated laser pulses on the single photon level. For a 50 ns storage time, we measure η_{e2e}^{50  ns}=3.4(3)% end-to-end efficiency of the fiber-coupled memory, with a total intrinsic efficiency η_{int}=17(3)%. Straightforward technological improvements can boost the end-to-end-efficiency to η_{e2e}≈35%; beyond that, increasing the optical depth and exploiting the Zeeman substructure of the atoms will allow such a memory to approach near unity efficiency. In the present memory, the unconditional read-out noise level of 9×10^{-3} photons is dominated by atomic fluorescence, and for input pulses containing on average μ_{1}=0.27(4) photons, the signal to noise level would be unity.

  16. Simple Atomic Quantum Memory Suitable for Semiconductor Quantum Dot Single Photons

    Science.gov (United States)

    Wolters, Janik; Buser, Gianni; Horsley, Andrew; Béguin, Lucas; Jöckel, Andreas; Jahn, Jan-Philipp; Warburton, Richard J.; Treutlein, Philipp

    2017-08-01

    Quantum memories matched to single photon sources will form an important cornerstone of future quantum network technology. We demonstrate such a memory in warm Rb vapor with on-demand storage and retrieval, based on electromagnetically induced transparency. With an acceptance bandwidth of δ f =0.66 GHz , the memory is suitable for single photons emitted by semiconductor quantum dots. In this regime, vapor cell memories offer an excellent compromise between storage efficiency, storage time, noise level, and experimental complexity, and atomic collisions have negligible influence on the optical coherences. Operation of the memory is demonstrated using attenuated laser pulses on the single photon level. For a 50 ns storage time, we measure ηe2 e 50 ns=3.4 (3 )% end-to-end efficiency of the fiber-coupled memory, with a total intrinsic efficiency ηint=17 (3 )%. Straightforward technological improvements can boost the end-to-end-efficiency to ηe 2 e≈35 %; beyond that, increasing the optical depth and exploiting the Zeeman substructure of the atoms will allow such a memory to approach near unity efficiency. In the present memory, the unconditional read-out noise level of 9 ×10-3 photons is dominated by atomic fluorescence, and for input pulses containing on average μ1=0.27 (4 ) photons, the signal to noise level would be unity.

  17. Rocket observation of atomic oxygen and night airglow: Measurement of concentration with an improved resonance fluorescence technique

    Directory of Open Access Journals (Sweden)

    K. Kita

    1996-02-01

    Full Text Available An improved resonant fluorescence instrument for measuring atomic oxygen concentration was developed to avoid the Doppler effect and the aerodynamic shock effect due to the supersonic motion of a rocket. The shock effect is reduced by adopting a sharp wedge-shaped housing and by scanning of the detector field of view to change the distance between the scattering volume and the surface of the housing. The scanning enables us to determine absolute values of atomic oxygen concentration from relative variation of the scattered light signal due to the self-absorption. The instrument was calibrated in the laboratory, and the numerical simulation reproduced the calibration result. Using the instrument, the altitude profile of atomic oxygen concentration was observed by a rocket experiment at Uchinoura (31°N on 28 January 1992. The data obtained from the rocket experiment were not perfectly free from the shock effect, but errors due to the effect were reduced by the data analysis procedure. The observed maximum concentration was 3.8× 1011 cm–3 at altitudes around 94 km. The systematic error is estimated to be less than ±0.7×1011 cm–3 and the relative random error is less than±0.07× 1011 cm–3at the same altitudes. The altitude profile of the OI 557.7-nm airglow was also observed in the same rocket experiment. The maximum volume emission rate was found to be 150 photons cm–3 s–1 at 94 km. The observed altitude profiles are compared with the MSIS model and other in situ observations.

  18. Controlled production of atomic oxygen and nitrogen in a pulsed radio-frequency atmospheric-pressure plasma

    Science.gov (United States)

    Dedrick, J.; Schröter, S.; Niemi, K.; Wijaikhum, A.; Wagenaars, E.; de Oliveira, N.; Nahon, L.; Booth, J. P.; O’Connell, D.; Gans, T.

    2017-11-01

    Radio-frequency driven atmospheric pressure plasmas are efficient sources for the production of reactive species at ambient pressure and close to room temperature. Pulsing the radio-frequency power input provides additional control over species production and gas temperature. Here, we demonstrate the controlled production of highly reactive atomic oxygen and nitrogen in a pulsed radio-frequency (13.56 MHz) atmospheric-pressure plasma, operated with a small 0.1 % air-like admixture (N2 /O2 at 4:1 ) through variations in the duty cycle. Absolute densities of atomic oxygen and nitrogen are determined through vacuum-ultraviolet absorption spectroscopy using the DESIRS beamline at the SOLEIL synchrotron coupled with a high resolution Fourier-transform spectrometer. The neutral-gas temperature is measured using nitrogen molecular optical emission spectroscopy. For a fixed applied-voltage amplitude (234 V), varying the pulse duty cycle from 10% to 100% at a fixed 10 kHz pulse frequency enables us to regulate the densities of atomic oxygen and nitrogen over the ranges of (0.18+/-0.03) –(3.7+/-0.1)× 1020 m-3 and (0.2+/-0.06) –(4.4+/-0.8) × 1019 m-3 , respectively. The corresponding 11 K increase in the neutral-gas temperature with increased duty cycle, up to a maximum of (314+/-4) K, is relatively small. This additional degree of control, achieved through regulation of the pulse duty cycle and time-averaged power, could be of particular interest for prospective biomedical applications.

  19. Morphology and atomic-scale structure of single-layer WS2 nanoclusters.

    Science.gov (United States)

    Füchtbauer, Henrik G; Tuxen, Anders K; Moses, Poul G; Topsøe, Henrik; Besenbacher, Flemming; Lauritsen, Jeppe V

    2013-10-14

    Two-dimensional sheets of transition metal (Mo and W) sulfides are attracting strong attention due to the unique electronic and optical properties associated with the material in its single-layer form. The single-layer MoS2 and WS2 are already in widespread commercial use in catalytic applications as both hydrotreating and hydrocracking catalysts. Consequently, characterization of the morphology and atomic structure of such particles is of utmost importance for the understanding of the catalytic active phase. However, in comparison with the related MoS2 system only little is known about the fundamental properties of single-layer WS2 (tungstenite). Here, we use an interplay of atom-resolved Scanning Tunneling Microscopy (STM) studies of Au(111)-supported WS2 nanoparticles and calculated edge structures using Density Functional Theory (DFT) to reveal the equilibrium morphology and prevalent edge structures of single-layer WS2. The STM results reveal that the single layer S-W-S sheets adopt a triangular equilibrium shape under the sulfiding conditions of the synthesis, with fully sulfided edges. The predominant edge structures are determined to be the (101[combining macron]0) W-edge, but for the smallest nanoclusters also the (1[combining macron]010) S-edges become important. DFT calculations are used to construct phase diagrams of the WS2 edges, and describe their sulfur and hydrogen coordination under different conditions, and in this way shed light on the catalytic role of WS2 edges.

  20. Reaction of atomic oxygen with alkanes. Regioselective alcohol formation on γ-radiolysis of liquid carbon dioxide solutions of alkanes

    International Nuclear Information System (INIS)

    Hori, A.; Takamuku, S.; Sakurai, H.

    1977-01-01

    Gamma-radiolysis of liquid carbon dioxide in the presence of cyclohexane, methylcyclohexane, and cis- or trans-decalin has been studied at 0 0 C. The main products were corresponding alcohols and carbonyl compounds. The oxidizing species from carbon dioxide apparently shows selective attack on C--H bonds of alkane in the order tertiary greater than secondary greater than primary. The observed tendency could be rationalized in terms of the reaction of ground state triplet oxygen atoms, O( 3 P), with alkane in liquid carbon dioxide. In the case of cis- and trans-decalin, highly configurational retention of decalol-9 was observed. The formation of a dimer of alkane was negligibly small. The rapid recombination of radical pairs initially formed by the reaction of O( 3 P) atoms with alkane in a solvent cage is proposed. In addition, the production of cyclohexanone from cyclohexanol is described

  1. Stable and solubilized active Au atom clusters for selective epoxidation of cis-cyclooctene with molecular oxygen

    Science.gov (United States)

    Qian, Linping; Wang, Zhen; Beletskiy, Evgeny V.; Liu, Jingyue; Dos Santos, Haroldo J.; Li, Tiehu; Rangel, Maria Do C.; Kung, Mayfair C.; Kung, Harold H.

    2017-03-01

    The ability of Au catalysts to effect the challenging task of utilizing molecular oxygen for the selective epoxidation of cyclooctene is fascinating. Although supported nanometre-size Au particles are poorly active, here we show that solubilized atomic Au clusters, present in ng ml-1 concentrations and stabilized by ligands derived from the oxidized hydrocarbon products, are active. They can be formed from various Au sources. They generate initiators and propagators to trigger the onset of the auto-oxidation reaction with an apparent turnover frequency of 440 s-1, and continue to generate additional initiators throughout the auto-oxidation cycle without direct participation in the cycle. Spectroscopic characterization suggests that 7-8 atom clusters are effective catalytically. Extension of work based on these understandings leads to the demonstration that these Au clusters are also effective in selective oxidation of cyclohexene, and that solubilized Pt clusters are also capable of generating initiators for cyclooctene epoxidation.

  2. Raman study of oxygen deficient YVO{sub 4} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Jin, B.M.; Erdei, S.; Bhalla, A.S.; Ainger, F.W. [Pennsylvania State Univ., University Park, PA (United States). Materials Research Lab.

    1995-10-01

    Oxygen deficiency which is an inherent problem in melt grown YVO{sub 4} single crystals was investigated by Micro-Probe Raman Spectroscopy (MPRS). External vibrational modes at 157 cm{sup {minus}1}, 162 cm{sup {minus}1} and selected internal vibrational modes at 379 cm{sup {minus}1}, 840 cm{sup {minus}1} of full Raman spectra were compared with different YVO{sub 4} crystals grown by the Czochralski (CZ) technique both with and without annealing in an O{sub 2} atmosphere as well as by top seeded solution growth technique (TSSG) in directly produced oxygen deficiency-free form. Special differences of above mentioned frequencies and over 1,000 cm{sup {minus}1} were observed in the Raman spectra, which could prove that the growth technologies generated different rates of oxygen deficiency in addition to critical intrinsic segregation effects in YVO{sub 4} which significantly determine the crystal quality.

  3. Interaction of molecular oxygen with single wall nanotubes: Role of surfactant contamination

    International Nuclear Information System (INIS)

    Larciprete, R.; Goldoni, A.; Lizzit, S.

    2003-01-01

    The interaction of molecular oxygen with single wall nanotubes in the form of a commercial bucky paper was investigated by high resolution photoemission spectroscopy. Sodium contamination was found in the sample, which was completely removed only after prolonged heating at 1250 K. The C 1s core level spectrum measured on the sample annealed to 1020 K dramatically changed upon exposure to molecular oxygen. On the contrary, when exposing the Na-free SWNTs to several KL of O 2 , the sample remained oxygen free and no modification in the C 1s core level was observed. Therefore the observed sensitivity of the sample to O 2 was due to a Na mediated oxidation, determining a charge transfer from the C tubes to the Na-O complex

  4. Single-photon-level quantum image memory based on cold atomic ensembles.

    Science.gov (United States)

    Ding, Dong-Sheng; Zhou, Zhi-Yuan; Shi, Bao-Sen; Guo, Guang-Can

    2013-01-01

    A quantum memory is a key component for quantum networks, which will enable the distribution of quantum information. Its successful development requires storage of single-photon light. Encoding photons with spatial shape through higher-dimensional states significantly increases their information-carrying capability and network capacity. However, constructing such quantum memories is challenging. Here we report the first experimental realization of a true single-photon-carrying orbital angular momentum stored via electromagnetically induced transparency in a cold atomic ensemble. Our experiments show that the non-classical pair correlation between trigger photon and retrieved photon is retained, and the spatial structure of input and retrieved photons exhibits strong similarity. More importantly, we demonstrate that single-photon coherence is preserved during storage. The ability to store spatial structure at the single-photon level opens the possibility for high-dimensional quantum memories.

  5. Nanomechanical DNA origami 'single-molecule beacons' directly imaged by atomic force microscopy

    Science.gov (United States)

    Kuzuya, Akinori; Sakai, Yusuke; Yamazaki, Takahiro; Xu, Yan; Komiyama, Makoto

    2011-01-01

    DNA origami involves the folding of long single-stranded DNA into designed structures with the aid of short staple strands; such structures may enable the development of useful nanomechanical DNA devices. Here we develop versatile sensing systems for a variety of chemical and biological targets at molecular resolution. We have designed functional nanomechanical DNA origami devices that can be used as 'single-molecule beacons', and function as pinching devices. Using 'DNA origami pliers' and 'DNA origami forceps', which consist of two levers ~170 nm long connected at a fulcrum, various single-molecule inorganic and organic targets ranging from metal ions to proteins can be visually detected using atomic force microscopy by a shape transition of the origami devices. Any detection mechanism suitable for the target of interest, pinching, zipping or unzipping, can be chosen and used orthogonally with differently shaped origami devices in the same mixture using a single platform. PMID:21863016

  6. Comparison of NO titration and fiber optics catalytic probes for determination of neutral oxygen atom concentration in plasmas and postglows

    International Nuclear Information System (INIS)

    Mozetic, Miran; Ricard, Andre; Babic, Dusan; Poberaj, Igor; Levaton, Jacque; Monna, Virginie; Cvelbar, Uros

    2003-01-01

    A comparative study of two different absolute methods NO titration and fiber optics catalytic probe (FOCP) for determination of neutral oxygen atom density is presented. Both methods were simultaneously applied for measurements of O density in a postglow of an Ar/O 2 plasma created by a surfatron microwave generator with the frequency of 2.45 GHz an adjustable output power between 30 and 160 W. It was found that the two methods gave similar results. The advantages of FOCP were found to be as follows: it is a nondestructive method, it enables real time measuring of the O density, it does not require any toxic gas, and it is much faster than NO titration. The advantage of NO titration was found to be the ability to measure O density in a large range of dissociation of oxygen molecules

  7. Oxygen vacancy mediated enhanced photo-absorption from ZnO(0001) nanostructures fabricated by atom beam sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Solanki, Vanaraj; Joshi, Shalik R.; Mishra, Indrani; Varma, Shikha, E-mail: shikha@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Kabiraj, D.; Avasthi, D. K. [Inter University Accelerator Center, New Delhi 110067 (India); Mishra, N. C. [Department of Physics, Utkal University, Bhubaneswar 751004 (India)

    2016-08-07

    The nanoscale patterns created on the ZnO(0001) surfaces during atom beam irradiation have been investigated here for their photo absorption response. Preferential sputtering, during irradiation, promotes Zn-rich zones that serve as the nucleation centers for the spontaneous creation of nanostructures. Nanostructured surfaces with bigger (78 nm) nanodots, displaying hexagonal ordering and long ranged periodic behavior, show higher photo absorption and a ∼0.09 eV reduced bandgap. These nanostructures also demonstrate higher concentration of oxygen vacancies which are crucial for these results. The enhanced photo-response, as observed here, has been achieved in the absence of any dopant elements.

  8. Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

    KAUST Repository

    Wang, Hongtao

    2012-01-01

    Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.

  9. Quantification of modulated blood oxygenation levels in single cerebral veins by investigating their MR signal decay

    Energy Technology Data Exchange (ETDEWEB)

    Sedlacik, Jan [St. Jude Children' s Research Hospital, Memphis, TN (United States). Div. of Translational Imaging Research; University Clinics Jena (Germany). Medical Physics Group; Rauscher, Alexander [University Clinics Jena (Germany). Medical Physics Group; British Columbia Univ., Vancouver (Canada). MRI Research Centre; Reichenbach, Juergen R. [University Clinics Jena (Germany). Medical Physics Group

    2009-07-01

    The transverse magnetization of a single vein and its surrounding tissue is subject to spin dephasing caused by the local magnetic field inhomogeneity which is induced by the very same vessel. This phenomenon can be approximated and simulated by applying the model of an infinitely long and homogeneously magnetized cylinder embedded in a homogeneous tissue background. It is then possible to estimate the oxygenation level of the venous blood by fitting the simulated magnetization-time-course to the measured signal decay. In this work we demonstrate the ability of this approach to quantify the blood oxygenation level (Y) of small cerebral veins in vivo, not only under normal physiologic conditions (Y{sub native}=0.5-0.55) but also during induced changes of physiologic conditions which affect the cerebral venous blood oxygenation level. Changes of blood's oxygenation level induced by carbogen (5% CO{sub 2}, 95% O{sub 2}) and caffeine were observed and quantified, resulting in values of Y{sub carbogen}=0.7 and Y{sub caffeine}=0.42, respectively. The proposed technique may ultimately help to better understand local changes in cerebral physiology during neuronal activation by quantifying blood oxygenation in veins draining active brain areas. It may also be beneficial in clinical applications where it may improve diagnosis of cerebral pathologies as well as monitoring of responses to therapy. (orig.)

  10. Nanoscopic analysis of oxygen segregation at tilt boundaries in silicon ingots using atom probe tomography combined with TEM and ab initio calculations.

    Science.gov (United States)

    Ohno, Y; Inoue, K; Fujiwara, K; Kutsukake, K; Deura, M; Yonenaga, I; Ebisawa, N; Shimizu, Y; Inoue, K; Nagai, Y; Yoshida, H; Takeda, S; Tanaka, S; Kohyama, M

    2017-12-01

    We have developed an analytical method to determine the segregation levels on the same tilt boundaries (TBs) at the same nanoscopic location by a joint use of atom probe tomography and scanning transmission electron microscopy, and discussed the mechanism of oxygen segregation at TBs in silicon ingots in terms of bond distortions around the TBs. The three-dimensional distribution of oxygen atoms was determined at the typical small- and large-angle TBs by atom probe tomography with a low impurity detection limit (0.01 at.% on a TB plane) simultaneously with high spatial resolution (about 0.4 nm). The three-dimensional distribution was correlated with the atomic stress around the TBs; the stress at large-angle TBs was estimated by ab initio calculations based on atomic resolution scanning transmission electron microscopy data and that at small-angle TBs were calculated with the elastic theory based on dark-field transmission electron microscopy data. Oxygen atoms would segregate at bond-centred sites under tensile stress above about 2 GPa, so as to attain a more stable bonding network by reducing the local stress. The number of oxygen atoms segregating in a unit TB area N GB (in atoms nm -2 ) was determined to be proportional to both the number of the atomic sites under tensile stress in a unit TB area n bc and the average concentration of oxygen atoms around the TB [O i ] (in at.%) with N GB ∼ 50 n bc [O i ]. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

  11. Development of a stable source of atomic oxygen with a pulsed high-voltage discharge and its application to crossed-beam reactions.

    Science.gov (United States)

    Lu, I-Chung; Huang, Wen-Jian; Chaudhuri, Chanchal; Chen, Wei-Kan; Lee, Shih-Huang

    2007-08-01

    To investigate the reactions of oxygen atoms with ethene and silane in a crossed-beam condition, we developed a stable, highly intense, and short-pulsed source of atomic oxygen with a transient high-voltage discharge. Mixtures of O(2) and He served as discharge media. Utilizing a crossed molecular-beam apparatus and direct vacuum-ultraviolet ionization, we measured the temporal profiles of oxygen atoms and the time-of-flight spectra of reaction products. With O(2) 3% seeded in He as a discharge medium, oxygen atoms might have a full width as small as 13.5 micros at half maximum at a location 193 mm downstream from the discharge region. Most population of oxygen atoms is in the ground state (3)P but some in the first excited state (1)D, depending on the concentration of precursor O(2). This discharge device analogously generates carbon, nitrogen, and fluorine atoms from precursors CO, N(2), and F(2), respectively.

  12. Single-molecule studies of DNA transcription using atomic force microscopy

    International Nuclear Information System (INIS)

    Billingsley, Daniel J; Crampton, Neal; Thomson, Neil H; Bonass, William A; Kirkham, Jennifer

    2012-01-01

    Atomic force microscopy (AFM) can detect single biomacromolecules with a high signal-to-noise ratio on atomically flat biocompatible support surfaces, such as mica. Contrast arises from the innate forces and therefore AFM does not require imaging contrast agents, leading to sample preparation that is relatively straightforward. The ability of AFM to operate in hydrated environments, including humid air and aqueous buffers, allows structure and function of biological and biomolecular systems to be retained. These traits of the AFM are ensuring that it is being increasingly used to study deoxyribonucleic acid (DNA) structure and DNA–protein interactions down to the secondary structure level. This report focuses in particular on reviewing the applications of AFM to the study of DNA transcription in reductionist single-molecule bottom-up approaches. The technique has allowed new insights into the interactions between ribonucleic acid (RNA) polymerase to be gained and enabled quantification of some aspects of the transcription process, such as promoter location, DNA wrapping and elongation. More recently, the trend is towards studying the interactions of more than one enzyme operating on a single DNA template. These methods begin to reveal the mechanics of gene expression at the single-molecule level and will enable us to gain greater understanding of how the genome is transcribed and translated into the proteome. (topical review)

  13. An Oxygen Scavenging System for Improvement of Dye Stability in Single-Molecule Fluorescence Experiments☆

    Science.gov (United States)

    Aitken, Colin Echeverría; Marshall, R. Andrew; Puglisi, Joseph D.

    2008-01-01

    The application of single-molecule fluorescence techniques to complex biological systems places demands on the performance of single fluorophores. We present an enzymatic oxygen scavenging system for improved dye stability in single-molecule experiments. We compared the previously described protocatechuic acid/protocatechuate-3,4-dioxygenase system to the currently employed glucose oxidase/catalase system. Under standardized conditions, we observed lower dissolved oxygen concentrations with the protocatechuic acid/protocatechuate-3,4-dioxygenase system. Furthermore, we observed increased initial lifetimes of single Cy3, Cy5, and Alexa488 fluorophores. We further tested the effects of chemical additives in this system. We found that biological reducing agents increase both the frequency and duration of blinking events of Cy5, an effect that scales with reducing potential. We observed increased stability of Cy3 and Alexa488 in the presence of the antioxidants ascorbic acid and n-propyl gallate. This new O2-scavenging system should have wide application for single-molecule fluorescence experiments. PMID:17921203

  14. Towards hybrid quantum systems: Trapping a single atom near a nanoscale solid-state structure

    Directory of Open Access Journals (Sweden)

    Tiecke T.G.

    2013-08-01

    Full Text Available We describe and demonstrate a method to deterministically trap single atoms near nanoscale solid-state objects. The trap is formed by the interference of an optical tweezer and its reflection from the nano object, creating a one-dimensional optical lattice where the first lattice site is at z0 ∼ λ/4 from the surface. Using a tapered optical fiber as the nanoscopic object, we characterize the loading into different lattice sites by means of the AC-Stark shift induced by a guided fiber mode. We demonstrate a loading efficiency of 94(6% into the first lattice site, and measure the cooperativity for the emission of the atom into the guided mode of the nanofiber. We show that by tailoring the dimensions of the nanofiber the distance of the trap to the surface can be adjusted. This method is applicable to a large variety of nanostructures and represents a promising starting point for interfacing single atoms with arbitrary nanoscale solid-state systems.

  15. BODIPY-pyrene and perylene dyads as heavy atom-free singlet oxygen sensitizers

    KAUST Repository

    Filatov, Mikhail A.

    2018-02-23

    Dyads combining BODIPY as an electron acceptor and pyrene or perylene as electron donor subunits were prepared and studied their photophysical properties studied by steady-state and transient spectroscopy. Depending on the structure of the subunits and polarity of the media, the dyads show either bright fluorescence or photo-induced electron transfer (PeT) in solution. Charge-transfer (CT) states formed as a result of PeT and were found to yield triplet excited states of the BODIPY. In the presence of molecular oxygen, the dyads sensitize singlet oxygen (1O2) with quantum yields of up to 0.75.

  16. Atomic and electronic structures of carbon nanotube covalent connecting with graphene by oxygen molecular

    Science.gov (United States)

    Wei, Jianwei; Wei, Qiang; Ma, Zengwei; Zeng, Hui

    2016-02-01

    Based on density functional theories, we have investigated the nanostructure in which boron and nitrogen co-doped carbon nanotube (CNT)/graphene (GR) were connected by an oxygen molecular. The geometry structure and electronic properties of the system were calculated carefully. The band structures indicate that the impurity state of oxygen transfer the semiconducting co-doped carbon nanotube/graphene into a semimetallic composite material. The results show that the connection can be achieved with energy release under a wider range of distance between the nanotube and graphene. It indicates that the connection between the nanotube and the graphene might be a self-assemble process.

  17. Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface

    International Nuclear Information System (INIS)

    Ample, F; Joachim, C; Duchemin, I; Hliwa, M

    2011-01-01

    Electron transport calculations were carried out for three terminal OR logic gates constructed either with a single molecule or with a surface dangling bond circuit interconnected on a Si(100)H surface. The corresponding multi-electrode multi-channel scattering matrix (where the central three terminal junction OR gate is the scattering center) was calculated, taking into account the electronic structure of the supporting Si(100)H surface, the metallic interconnection nano-pads, the surface atomic wires and the molecule. Well interconnected, an optimized OR molecule can only run at a maximum of 10 nA output current intensity for a 0.5 V bias voltage. For the same voltage and with no molecule in the circuit, the output current of an OR surface atomic scale circuit can reach 4 μA.

  18. Control of single-photon routing in a T-shaped waveguide by another atom

    Science.gov (United States)

    Huang, Jin-Song; Wang, Jing-Wen; Wang, Yan; Li, Yan-Ling; Huang, You-Wen

    2018-04-01

    Quantum routers with a high routing rate of much more than 0.5 are of great importance for quantum networks. We provide a scheme to perform bidirectional high routing-rate transfer in a T-shaped coupled-resonator waveguide (CRW), which extends a recent unidirectional scheme proposed by Lu et al. (Opt Express 23:22955, 2015). By locating an extra two-level atom in the infinite CRW channel of the T-shaped CRW with a three-level system, an effective potential is generated. Our numerical results show that high routing capability from the infinite CRW channel to the semi-infinite channel can be achieved, and routing capability from the semi-infinite CRW channel to the infinite channel can also be significantly enhanced, with the help of the effective potential. Therefore, the proposed double-atom configuration could be utilized as a bidirectional quantum routing controller to implement high transfer rate routing of single photons.

  19. Tunable room-temperature single photon emission from atomic defects in hexagonal boron nitride

    Science.gov (United States)

    Grosso, Gabriele; Moon, Hyowon; Lienhard, Benjamin; Efetov, Dmitri; Furchi, Marco; Jarillo-Herrero, Pablo; Ali, Sajid; Ford, Michael; Aharonovich, Igor; Englund, Dirk

    Two-dimensional van der Waals materials have emerged as promising platforms for solid-state quantum information processing devices with unusual potential for heterogeneous assembly. Recently, bright and photostable single photon emitters were reported from atomic defects in layered hexagonal boron nitride (hBN), but controlling inhomogeneous spectral distribution and reducing multi-photon emission presented open challenges. We demonstrate that strain control allows spectral tunability of hBN single photon emitters, and material processing sharply improves the single-photon purity. Our sample fabrication process relies on ion irradiation and high temperature annealing to isolate individual defects for single photon emission. Spectroscopy on this emitter reports high single photon purity of g(2)(0) =0.07, and high count rates exceeding 107 counts/sec at saturation. Furthermore, these emitters are stable to material transfer to other substrates, including a bendable beam that allows us to controllably apply strain. Our experiments indicate a maximum tuning of 6 meV and emission energy dependencies ranging from -3 to 6 meV/%. High-purity and photostable single photon emission at room temperature, together with spectral tunability and transferability, opens the door to scalable integration of high-quality quantum emitters in photonic quantum technologies.

  20. Plasmachemical generation of atomic iodine for iodine lasers pumped by singlet oxygen

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Schmiedberger, Josef; Čenský, Miroslav; Picková, Irena; Kodymová, Jarmila; Špalek, Otomar

    2008-01-01

    Roč. 102, č. 16 (2008), s. 1327-1331 ISSN 0009-2770 Grant - others:US Air Force EOARD(US) FA8655-06-1-3034 Institutional research plan: CEZ:AV0Z10100523 Keywords : COIL * chemical laser * atomic iodine * RF discharge Subject RIV: BH - Optics, Masers, Laser s Impact factor: 0.593, year: 2008 http://chemicke-listy.cz/docs/full/2008_16_s1327-s1331.pdf

  1. Communication: atomic force detection of single-molecule nonlinear optical vibrational spectroscopy.

    Science.gov (United States)

    Saurabh, Prasoon; Mukamel, Shaul

    2014-04-28

    Atomic Force Microscopy (AFM) allows for a highly sensitive detection of spectroscopic signals. This has been first demonstrated for NMR of a single molecule and recently extended to stimulated Raman in the optical regime. We theoretically investigate the use of optical forces to detect time and frequency domain nonlinear optical signals. We show that, with proper phase matching, the AFM-detected signals closely resemble coherent heterodyne-detected signals. Applications are made to AFM-detected and heterodyne-detected vibrational resonances in Coherent Anti-Stokes Raman Spectroscopy (χ((3))) and sum or difference frequency generation (χ((2))).

  2. Wavevector multiplexed atomic quantum memory via spatially-resolved single-photon detection.

    Science.gov (United States)

    Parniak, Michał; Dąbrowski, Michał; Mazelanik, Mateusz; Leszczyński, Adam; Lipka, Michał; Wasilewski, Wojciech

    2017-12-15

    Parallelized quantum information processing requires tailored quantum memories to simultaneously handle multiple photons. The spatial degree of freedom is a promising candidate to facilitate such photonic multiplexing. Using a single-photon resolving camera, we demonstrate a wavevector multiplexed quantum memory based on a cold atomic ensemble. Observation of nonclassical correlations between Raman scattered photons is confirmed by an average value of the second-order correlation function [Formula: see text] in 665 separated modes simultaneously. The proposed protocol utilizing the multimode memory along with the camera will facilitate generation of multi-photon states, which are a necessity in quantum-enhanced sensing technologies and as an input to photonic quantum circuits.

  3. Shot noise as a probe of spin-correlated transport through single atoms

    Science.gov (United States)

    Pradhan, S.; Fransson, J.

    2018-03-01

    We address the shot noise in the tunneling current through a local spin, pertaining to recent experiments on magnetic adatoms and single molecular magnets. We show that both uncorrelated and spin-correlated scattering processes contribute vitally to the noise spectrum. The spin-correlated scattering processes provide an additional contribution to the Landauer-Büttiker shot noise expression, accounting for correlations between the tunneling electrons and the localized spin moment. By calculating the Fano factor, we show that both super- and sub-Poissonian shot noise can be described within our approach. Our theory provides transparent insights into noise spectroscopy, consistent with recent experiments using local probing techniques on magnetic atoms.

  4. Kinetic Consequences of Chemisorbed Oxygen Atoms during Methane Oxidation on Group VIII Metal Clusters

    OpenAIRE

    Chin, Ya Huei

    2011-01-01

    Molecular insights and the kinetic relevance of reaction elementary steps for methane activation on Group VIII metal and oxide clusters are established based on kinetic, isotopic, and theoretical assessments. These fundamental understandings enable accurate prediction of complex rate dependencies and cluster size effects during methane conversion reactions in catalytic partial oxidation, reforming, and combustion processes.Kinetics of methane reactions with oxygen are described by several reg...

  5. Single electron detachment of carbon group and oxygen group elements incident on helium

    International Nuclear Information System (INIS)

    Huang Yongyi; Li Guangwu; Gao Yinghui; Yang Enbo; Gao Mei; Lu Fuquan; Zhang Xuemei

    2006-01-01

    The absolute single electron detachment (SED) cross sections of carbon group elements C - , Si - , Ge - in the energy range of 0.05-0.29 a.u. (5 keV-30 keV) and oxygen group elements O - and S - 0.08-0.27 a.u. (5 keV-30 keV), incident on helium are measured with growth rate method. In our energy region, the SED cross sections of C - , Si - , S - and Ge - increase with the projectiles velocity, at the same time, O - cross sections reach a conspicuous maximum at 0.18 a.u. Some abnormal behavior occurs in measurement of SED cross sections for the oxygen group collision with helium. Our results have been compared with a previous work

  6. Imaging and Force Recognition of Single Molecular Behaviors Using Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Mi Li

    2017-01-01

    Full Text Available The advent of atomic force microscopy (AFM has provided a powerful tool for investigating the behaviors of single native biological molecules under physiological conditions. AFM can not only image the conformational changes of single biological molecules at work with sub-nanometer resolution, but also sense the specific interactions of individual molecular pair with piconewton force sensitivity. In the past decade, the performance of AFM has been greatly improved, which makes it widely used in biology to address diverse biomedical issues. Characterizing the behaviors of single molecules by AFM provides considerable novel insights into the underlying mechanisms guiding life activities, contributing much to cell and molecular biology. In this article, we review the recent developments of AFM studies in single-molecule assay. The related techniques involved in AFM single-molecule assay were firstly presented, and then the progress in several aspects (including molecular imaging, molecular mechanics, molecular recognition, and molecular activities on cell surface was summarized. The challenges and future directions were also discussed.

  7. First-principles study of magnetic ordering of an Al infinite single-row atomic wire.

    Science.gov (United States)

    Ota, Tadashi; Hirose, Kikuji; Ono, Tomoya

    2009-02-11

    In this paper we present a detailed analysis of the atomic and spin-electronic structure of an Al infinite single-row atomic wire (Al-ISAW). Our work is based on ab initio self-consistent field calculations within the local density approximation, and we predict structural transformations during elongation using the norm-conserving (NC) and projector augmented-wave (PAW) pseudopotentials. The results obtained by the NC pseudopotential are in good agreement with those obtained by the PAW pseudopotential. We confirm that the Al-ISAW shows a metal-insulator transition and fractures when elongated beyond the equilibrium length. Then, a wire with antiferromagnetic ordering is found to be the lowest energetically. We find that the magnitude of spin polarization in the vicinity of nuclei is marginal and does not play an important role in the Peierls instability. The present results show that the NC pseudopotential can give an accurate physical picture of the atomic and spin-electronic structures of the Al-ISAW.

  8. Single Pd Atoms on θ-Al2O3 (010) Surface do not Catalyze NO Oxidation.

    Science.gov (United States)

    Narula, Chaitanya K; Allard, Lawrence F; Moses-DeBusk, Melanie; Stocks, G Malcom; Wu, Zili

    2017-04-03

    New convenient wet-chemistry synthetic routes have made it possible to explore catalytic activities of a variety of single supported atoms, however, the single supported atoms on inert substrates (e.g. alumina) are limited to adatoms and cations of Pt, Pd, and Ru. Previously, we have found that single supported Pt atoms are remarkable NO oxidation catalysts. In contrast, we report that Pd single atoms are completely inactive for NO oxidation. The diffuse reflectance infra-red spectroscopy (DRIFTS) results show the absence of nitrate formation on catalyst. To explain these results, we explored modified Langmuir-Hinshelwood type pathways that have been proposed for oxidation reactions on single supported atom. In the first pathway, we find that there is energy barrier for the release of NO 2 which prevent NO oxidation. In the second pathway, our results show that there is no driving force for the formation of O=N-O-O intermediate or nitrate on single supported Pd atoms. The decomposition of nitrate, if formed, is an endothermic event.

  9. Quantum Hall states of atomic Bose gases: Density profiles in single-layer and multilayer geometries

    International Nuclear Information System (INIS)

    Cooper, N. R.; Lankvelt, F. J. M. van; Reijnders, J. W.; Schoutens, K.

    2005-01-01

    We describe the density profiles of confined atomic Bose gases in the high-rotation limit, in single-layer and multilayer geometries. We show that, in a local-density approximation, the density in a single layer shows a landscape of quantized steps due to the formation of incompressible liquids, which are analogous to fractional quantum Hall liquids for a two-dimensional electron gas in a strong magnetic field. In a multilayered setup we find different phases, depending on the strength of the interlayer tunneling t. We discuss the situation where a vortex lattice in the three-dimensional condensate (at large tunneling) undergoes quantum melting at a critical tunneling t c 1 . For tunneling well below t c 1 one expects weakly coupled or isolated layers, each exhibiting a landscape of quantum Hall liquids. After expansion, this gives a radial density distribution with characteristic features (cusps) that provide experimental signatures of the quantum Hall liquids

  10. Simple and efficient absorption filter for single photons from a cold atom quantum memory.

    Science.gov (United States)

    Stack, Daniel T; Lee, Patricia J; Quraishi, Qudsia

    2015-03-09

    The ability to filter unwanted light signals is critical to the operation of quantum memories based on neutral atom ensembles. Here we demonstrate an efficient frequency filter which uses a vapor cell filled with (85)Rb and a buffer gas to attenuate both residual laser light and noise photons by nearly two orders of magnitude with little loss to the single photons associated with our cold (87)Rb quantum memory. This simple, passive filter provides an additional 18 dB attenuation of our pump laser and erroneous spontaneous emissions for every 1 dB loss of the single photon signal. We show that the addition of a frequency filter increases the non-classical correlations and the retrieval efficiency of our quantum memory by ≈ 35%.

  11. Optimized driving of superconducting artificial atoms for improved single-qubit gates

    Science.gov (United States)

    Chow, J. M.; Dicarlo, L.; Gambetta, J. M.; Motzoi, F.; Frunzio, L.; Girvin, S. M.; Schoelkopf, R. J.

    2010-10-01

    We employ simultaneous shaping of in-phase and out-of-phase resonant microwave drives to reduce single-qubit gate errors arising from the weak anharmonicity of transmon superconducting artificial atoms. To reduce the effect of higher levels present in the transmon spectrum, we apply Gaussian and derivative-of-Gaussian envelopes to the in-phase and out-of-phase quadratures, respectively, and optimize over their relative amplitude. Using randomized benchmarking, we obtain a minimum average error per gate of 0.007±0.005 using 4-ns-wide pulses, which is limited by decoherence. This simple optimization technique works for multiple transmons coupled to a single microwave resonator in a quantum bus architecture.

  12. Atmospheric plasma generates oxygen atoms as oxidizing species in aqueous solutions

    Czech Academy of Sciences Publication Activity Database

    Hefny, M.M.; Pattyn, C.; Lukeš, Petr; Benedikt, J.

    2016-01-01

    Roč. 49, č. 40 (2016), s. 404002 ISSN 0022-3727 R&D Projects: GA MŠk(CZ) LD14080 Grant - others:European Cooperation in Science and Technology(XE) COST TD1208 Institutional support: RVO:61389021 Keywords : atmospheric pressure plasma * transport of reactive species * reactive oxygen species * aqueous phase chemistry * plasma and liquids * phenol aqueous chemistry Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.588, year: 2016 http://iopscience.iop.org/article/10.1088/0022-3727/49/40/404002

  13. Hetero-atom doped carbon nanotubes for dye degradation and oxygen reduction reaction

    Science.gov (United States)

    Nandan, Ravi; Nanda, Karuna Kar

    2015-06-01

    We report the synthesis of nitrogen doped vertically aligned multi-walled (MWNCNTs) carbon nanotubes by pyrolysis and its catalytic performance for degradation of methylene blue (MB) dye & oxygen reduction reaction (ORR). The degradation of MB was monitored spectrophotometrically with time. Kinetic studies show the degradation of MB follows a first order kinetic with rate constant k=0.0178 min-1. The present rate constant is better than that reported for various supported/non-supported semiconducting nanomaterials. Further ORR performance in alkaline media makes MWNCNTs a promising cost-effective, fuel crossover tolerance, metal-free, eco-friendly cathode catalyst for direct alcohol fuel cell.

  14. Hetero-atom doped carbon nanotubes for dye degradation and oxygen reduction reaction

    Energy Technology Data Exchange (ETDEWEB)

    Nandan, Ravi, E-mail: aerawat27@gmail.com; Nanda, Karuna Kar [Materials Research Centre, Indian Institute of Science, Bangalore-560012 (India)

    2015-06-24

    We report the synthesis of nitrogen doped vertically aligned multi-walled (MWNCNTs) carbon nanotubes by pyrolysis and its catalytic performance for degradation of methylene blue (MB) dye & oxygen reduction reaction (ORR). The degradation of MB was monitored spectrophotometrically with time. Kinetic studies show the degradation of MB follows a first order kinetic with rate constant k=0.0178 min{sup −1}. The present rate constant is better than that reported for various supported/non-supported semiconducting nanomaterials. Further ORR performance in alkaline media makes MWNCNTs a promising cost-effective, fuel crossover tolerance, metal-free, eco-friendly cathode catalyst for direct alcohol fuel cell.

  15. N2O + CO reaction over single Ga or Ge atom embedded graphene: A DFT study

    Science.gov (United States)

    Esrafili, Mehdi D.; Vessally, Esmail

    2018-01-01

    The possibility of using a single Ga or Ge atom embedded graphene as an efficient catalyst for the reduction of N2O molecule by CO is examined. We perform density functional theory calculations to calculate adsorption energies as well as analysis of the structural and electronic properties of different species involved in the N2O + CO reaction. The large activation energy for the diffusion of the single Ga or Ge atom on the C vacancy site of graphene shows the high stability of both Ga- and Ge-embedded graphene sheets in the N2O reduction. The activation energy needed for the decomposition of N2O is calculated to be 18.4 and 14.1 kcal/mol over Ga- and Ge-embedded graphene, respectively. The results indicate that the Ge-embedded graphene may serve as an effective catalyst for the N2O reduction. Moreover, the activation energy for the disproportionation of N2O molecules that generates N2 and O2 is relatively high; so, the generation of these side products may be hindered by decreasing the temperature.

  16. Fabrication of metallic single electron transistors featuring plasma enhanced atomic layer deposition of tunnel barriers

    Science.gov (United States)

    Karbasian, Golnaz

    The continuing increase of the device density in integrated circuits (ICs) gives rise to the high level of power that is dissipated per unit area and consequently a high temperature in the circuits. Since temperature affects the performance and reliability of the circuits, minimization of the energy consumption in logic devices is now the center of attention. According to the International Technology Roadmaps for Semiconductors (ITRS), single electron transistors (SETs) hold the promise of achieving the lowest power of any known logic device, as low as 1x10-18 J per switching event. Moreover, SETs are the most sensitive electrometers to date, and are capable of detecting a fraction of an electron charge. Despite their low power consumption and high sensitivity for charge detection, room temperature operation of these devices is quite challenging mainly due to lithographical constraints in fabricating structures with the required dimensions of less than 10 nm. Silicon based SETs have been reported to operate at room temperature. However, they all suffer from significant variation in batch-to-batch performance, low fabrication yield, and temperature-dependent tunnel barrier height. In this project, we explored the fabrication of SETs featuring metal-insulator-metal (MIM) tunnel junctions. While Si-based SETs suffer from undesirable effect of dopants that result in irregularities in the device behavior, in metal-based SETs the device components (tunnel barrier, island, and the leads) are well-defined. Therefore, metal SETs are potentially more predictable in behavior, making them easier to incorporate into circuits, and easier to check against theoretical models. Here, the proposed fabrication method takes advantage of unique properties of chemical mechanical polishing (CMP) and plasma enhanced atomic layer deposition (PEALD). Chemical mechanical polishing provides a path for tuning the dimensions of the tunnel junctions, surpassing the limits imposed by electron beam

  17. Manipulating the Architecture of Atomically Thin Transition Metal (Hydr)oxides for Enhanced Oxygen Evolution Catalysis.

    Science.gov (United States)

    Dou, Yuhai; Zhang, Lei; Xu, Jiantie; He, Chun-Ting; Xu, Xun; Sun, Ziqi; Liao, Ting; Nagy, Balázs; Liu, Porun; Dou, Shi Xue

    2018-02-27

    Graphene-like nanomaterials have received tremendous research interest due to their atomic thickness and fascinating properties. Previous studies mainly focus on the modulation of their electronic structures, which undoubtedly optimizes the electronic properties, but is not the only determinant of performance in practical applications. Herein, we propose a generalized strategy to incrementally manipulate the architectures of several atomically thin transition metal (hydr)oxides, and study their effects on catalytic water oxidation. The results demonstrate the obvious superiority of a wrinkled nanosheet architecture in both catalytic activity and durability. For instance, wrinkled Ni(OH) 2 nanosheets display a low overpotential of 358.2 mV at 10 mA cm -2 , a high current density of 187.2 mA cm -2 at 500 mV, a small Tafel slope of 54.4 mV dec -1 , and excellent long-term durability with gradually optimized performance, significantly outperforming other nanosheet architectures and previously reported catalysts. The outstanding catalytic performance is mainly attributable to the 3D porous network structure constructed by wrinkled nanosheets, which not only provides sufficient contact between electrode materials and current collector, but also offers highly accessible channels for facile electrolyte diffusion and efficient O 2 escape. Our study provides a perspective on improving the performance of graphene-like nanomaterials in a wide range of practical applications.

  18. Reaction kinetics of oxygen on single-phase alloys, oxidation of nickel and niobium alloys

    International Nuclear Information System (INIS)

    Lalauze, Rene

    1973-01-01

    This research thesis first addresses the reaction kinetics of oxygen on alloys. It presents some generalities on heterogeneous reactions (conventional theory, theory of jumps), discusses the core reaction (with the influence of pressure), discusses the influence of metal self-diffusion on metal oxidation kinetics (equilibrium conditions at the interface, hybrid diffusion regime), reports the application of the hybrid diffusion model to the study of selective oxidation of alloys (Wagner model, hybrid diffusion model) and the study of the oxidation kinetics of an alloy forming a solid solution of two oxides. The second part reports the investigation of the oxidation of single phase nickel and niobium alloys (phase α, β and γ)

  19. Detecting and locating light atoms from high-resolution STEM images: The quest for a single optimal design.

    Science.gov (United States)

    Gonnissen, J; De Backer, A; den Dekker, A J; Sijbers, J; Van Aert, S

    2016-11-01

    In the present paper, the optimal detector design is investigated for both detecting and locating light atoms from high resolution scanning transmission electron microscopy (HR STEM) images. The principles of detection theory are used to quantify the probability of error for the detection of light atoms from HR STEM images. To determine the optimal experiment design for locating light atoms, use is made of the so-called Cramér-Rao Lower Bound (CRLB). It is investigated if a single optimal design can be found for both the detection and location problem of light atoms. Furthermore, the incoming electron dose is optimised for both research goals and it is shown that picometre range precision is feasible for the estimation of the atom positions when using an appropriate incoming electron dose under the optimal detector settings to detect light atoms. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Single-cell manipulation and DNA delivery technology using atomic force microscopy and nanoneedle.

    Science.gov (United States)

    Han, Sung-Woong; Nakamura, Chikashi; Miyake, Jun; Chang, Sang-Mok; Adachi, Taiji

    2014-01-01

    The recent single-cell manipulation technology using atomic force microscopy (AFM) not only allows high-resolution visualization and probing of biomolecules and cells but also provides spatial and temporal access to the interior of living cells via the nanoneedle technology. Here we review the development and application of single-cell manipulations and the DNA delivery technology using a nanoneedle. We briefly describe various DNA delivery methods and discuss their advantages and disadvantages. Fabrication of the nanoneedle, visualization of nanoneedle insertion into living cells, DNA modification on the nanoneedle surface, and the invasiveness of nanoneedle insertion into living cells are described. Different methods of DNA delivery into a living cell, such as lipofection, microinjection, and nanoneedles, are then compared. Finally, single-cell diagnostics using the nanoneedle and the perspectives of the nanoneedle technology are outlined. The nanoneedle-based DNA delivery technology provides new opportunities for efficient and specific introduction of DNA and other biomolecules into precious living cells with a high spatial resolution within a desired time frame. This technology has the potential to be applied for many basic cellular studies and for clinical studies such as single-cell diagnostics.

  1. First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO2 of Oxygen Vacancies

    Directory of Open Access Journals (Sweden)

    Zhong-Liang Zeng

    2015-01-01

    Full Text Available For the propose of considering the actual situation of electronic neutral, a simulation has been down on the basis of choosing the position of dual N and researching the oxygen vacancy. It is found that the reason why crystal material gets smaller is due to the emergence of impurity levels. By introducing the oxygen vacancy to the structure, the results show that while the oxygen vacancy is near the two nitrogen atoms which have a back to back position, its energy gets the lowest level and its structure gets the most stable state. From its energy band structure and density, the author finds that the impurity elements do not affect the migration of Fermi level while the oxygen vacancy has been increased. Instead of that, the conduction band of metal atoms moves to the Fermi level and then forms the N-type semiconductor material, but the photocatalytic activity is not as good as the dual N-doping state.

  2. A method for the retrieval of atomic oxygen density and temperature profiles from ground-based measurements of the O(+)(2D-2P) 7320 A twilight airglow

    Science.gov (United States)

    Fennelly, J. A.; Torr, D. G.; Richards, P. G.; Torr, M. R.; Sharp, W. E.

    1991-01-01

    This paper describes a technique for extracting thermospheric profiles of the atomic-oxygen density and temperature, using ground-based measurements of the O(+)(2D-2P) doublet at 7320 and 7330 A in the twilight airglow. In this method, a local photochemical model is used to calculate the 7320-A intensity; the method also utilizes an iterative inversion procedure based on the Levenberg-Marquardt method described by Press et al. (1986). The results demonstrate that, if the measurements are only limited by errors due to Poisson noise, the altitude profiles of neutral temperature and atomic oxygen concentration can be determined accurately using currently available spectrometers.

  3. Understanding the Oxygen Reduction Reaction on a Y/Pt(111) Single Crystal

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese; Johansson, Tobias Peter; Malacrida, Paolo

    2014-01-01

    Polymer electrolyte membrane fuel cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the oxygen reduction reaction (ORR) at the PEMFC cathode, prevents the commercialisation of this tec......Polymer electrolyte membrane fuel cells (PEMFC) hold promise as a zero-emission source of power, particularly suitable for automotive vehicles. However, the high loading of Pt required to catalyse the oxygen reduction reaction (ORR) at the PEMFC cathode, prevents the commercialisation...... of this technology. Improving the activity of Pt by alloying it with other metals could decrease the loading of Pt. An earlier theoretical study conducted at our laboratory identified PtxY as an active and stable catalyst for oxygen reduction. Experiments conducted on sputter-cleaned polycrystalline Pt3Y confirmed...... was significantly different from our initial expectations. In order to understand this phenomenon, we investigated a Y/Pt(111) single crystal, formed by depositing large amounts of Y om Pt(111) under ultra-high vacuum (UHV) conditions and annealing to high temperatures. We subsequently characterised the surface...

  4. Absolute rate constant, kinetic isotope effect, and mechanism of the reaction of ethylene oxide with oxygen(3P) atoms

    International Nuclear Information System (INIS)

    Bogan, D.J.; Hand, C.W.

    1978-01-01

    The kinetics of the reaction of ethylene oxide with O( 3 P) atoms has been investigated in detail using a discharge flow system with mass spectrometric and photometric detection. Absolute measurements of the rate constant, kinetic isotope effect, and stoichiometry have been made. The overall stoichiometry is 3 +- 1 oxygen atoms consumed per ethylene oxide molecule. Arrhenius parameters for the reaction of C 2 H 4 O with O are A = 10/sup (9.28+-0.08)/ L mol -1 s -1 and E = 5250 +- 150 cal mol -1 over the temperature range 298 to 691 0 K, and Arrhenius parameters for the kinetic isotope effect are A/sub H//A/sub D/ = 0.9 +- 0.20 and E/sub D/--E/sub H/ = 1460 +- 230 cal mol -1 , over the temperature range 482 to 691 0 K. The magnitude of the preexponential factor and the temperature dependence of the isotope effect establish that hydrogen abstraction, rather than insertion to form a dioxetane intermediate, is the sole reactive channel for ethylene oxide plus O( 3 P). The Arrhenius parameters are discussed and compared to other hydrogen abstraction reactions of O( 3 P). Comparison is also made to the reactions of O( 3 P) with other strained three-membered ring compounds. The final products H 2 , H 2 O, HCHO, CO, and CO 2 were identified, and a mechanism is proposed to account for their formation from the radical products of the initial step

  5. Preparation of high-content hexagonal boron nitride composite film and characterization of atomic oxygen erosion resistance

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yu; Li, Min; Gu, Yizhuo; Wang, Shaokai, E-mail: wsk@buaa.edu.cn; Zhang, Zuoguang

    2017-04-30

    Highlights: • Hexagonal boron nitride nanosheets can be well exfoliated with the help of nanofibrillated cellulose. • A carpet-like rough surface and distortion in crystal structure of h-BN are found in both h-BN film and h-BN/epoxy film after AO exposure. • H-BN/epoxy film exhibits a higher mass loss and erosion yield, different element content changes and chemical oxidations compared with h-BN film. - Abstract: Space aircrafts circling in low earth orbit are suffered from highly reactive atomic oxygen (AO). To shield AO, a flexible thin film with 80 wt.% hexagonal boron nitride (h-BN) and h-BN/epoxy film were fabricated through vacuum filtration and adding nanofibrillated cellulose fibers. H-BN nanosheets were hydroxylated for enhancing interaction in the films. Mass loss and erosion yield at accumulated AO fluence about 3.04 × 10{sup 20} atoms/cm{sup 2} were adopted to evaluate the AO resistance properties of the films. A carpet-like rough surface, chemical oxidations and change in crystal structure of h-BN were found after AO treatment, and the degrading mechanism was proposed. The mass loss and erosion yield under AO attack were compared between h-BN film and h-BN/epoxy film, and the comparison was also done for various types of shielding AO materials. Excellent AO resistance property of h-BN film is shown, and the reasons are analyzed.

  6. Preparation of high-content hexagonal boron nitride composite film and characterization of atomic oxygen erosion resistance

    Science.gov (United States)

    Zhang, Yu; Li, Min; Gu, Yizhuo; Wang, Shaokai; Zhang, Zuoguang

    2017-04-01

    Space aircrafts circling in low earth orbit are suffered from highly reactive atomic oxygen (AO). To shield AO, a flexible thin film with 80 wt.% hexagonal boron nitride (h-BN) and h-BN/epoxy film were fabricated through vacuum filtration and adding nanofibrillated cellulose fibers. H-BN nanosheets were hydroxylated for enhancing interaction in the films. Mass loss and erosion yield at accumulated AO fluence about 3.04 × 1020 atoms/cm2 were adopted to evaluate the AO resistance properties of the films. A carpet-like rough surface, chemical oxidations and change in crystal structure of h-BN were found after AO treatment, and the degrading mechanism was proposed. The mass loss and erosion yield under AO attack were compared between h-BN film and h-BN/epoxy film, and the comparison was also done for various types of shielding AO materials. Excellent AO resistance property of h-BN film is shown, and the reasons are analyzed.

  7. Atomic Force Microscope nanolithography on chromosomes to generate single-cell genetic probes.

    Science.gov (United States)

    Di Bucchianico, Sebastiano; Poma, Anna M; Giardi, Maria F; Di Leandro, Luana; Valle, Francesco; Biscarini, Fabio; Botti, Dario

    2011-06-28

    Chromosomal dissection provides a direct advance for isolating DNA from cytogenetically recognizable region to generate genetic probes for fluorescence in situ hybridization, a technique that became very common in cyto and molecular genetics research and diagnostics. Several reports describing microdissection methods (glass needle or a laser beam) to obtain specific probes from metaphase chromosomes are available. Several limitations are imposed by the traditional methods of dissection as the need for a large number of chromosomes for the production of a probe. In addition, the conventional methods are not suitable for single chromosome analysis, because of the relatively big size of the microneedles. Consequently new dissection techniques are essential for advanced research on chromosomes at the nanoscale level. We report the use of Atomic Force Microscope (AFM) as a tool for nanomanipulation of single chromosomes to generate individual cell specific genetic probes. Besides new methods towards a better nanodissection, this work is focused on the combination of molecular and nanomanipulation techniques which enable both nanodissection and amplification of chromosomal and chromatidic DNA. Cross-sectional analysis of the dissected chromosomes reveals 20 nm and 40 nm deep cuts. Isolated single chromosomal regions can be directly amplified and labeled by the Degenerate Oligonucleotide-Primed Polymerase Chain Reaction (DOP-PCR) and subsequently hybridized to chromosomes and interphasic nuclei. Atomic force microscope can be easily used to visualize and to manipulate biological material with high resolution and accuracy. The fluorescence in situ hybridization (FISH) performed with the DOP-PCR products as test probes has been tested succesfully in avian microchromosomes and interphasic nuclei. Chromosome nanolithography, with a resolution beyond the resolution limit of light microscopy, could be useful to the construction of chromosome band libraries and to the molecular

  8. Oxygen saturation and heart rate monitoring during a single session of early rehabilitation after cardiac surgery.

    Science.gov (United States)

    Sala, Vittorio; Petrucci, Lucia; Monteleone, Serena; Dall'Angelo, Anna; Miracca, Stefania; Conte, Teresa; Carlisi, Ettore; Ricotti, Susanna; D'Armini, Andrea M; Dalla Toffola, Elena

    2016-02-01

    Early rehabilitation after cardiac surgery aims to prevent immobilization, to reduce the effects of surgery on the respiratory function and to facilitate the recovery of autonomy in the activities of daily living (ADL), after discharge. Nevertheless the optimal perioperative physical therapy care for patients undergoing cardiac surgery is not well established. Moreover, most of the studies monitored peripheral oxygen saturation (SpO2) and heart rate (HR) during surgery or focused only on their recovery after rehabilitation and not on their pathways during a session of exercises. To monitor peripheral oxygen saturation and HR before, during and at the end of a single session of early rehabilitation after cardiac surgery, so testing our protocol's safety. A case series. Department of Cardiothoracic Surgery, inpatients. Forty-eight consecutive inpatients (35 M), mean age 61 years, with cardiovascular disease (CVD), who underwent cardiac surgery. We monitored SpO2%, HR, systemic blood pressure (BP), pain in the thoracic wound (VAS) and rate of perceived exertion (RPE) during the rehabilitation session after weaning from oxygen therapy. During all phases mean SpO2 was 94% (±1.8) and mean HR was 85 bpm (±13.3). Number of desaturation events were 14 in total and mean of % of time with SpO2<90% was 3 (±6.5) during all the rehabilitative session. Moreover, mean BP after reaching the sitting position was 124.7 (±11.9)/78.6 (±8.4) and after ambulation was 131.5 (±11.5)/82.9 (±7.3). The monitoring peripheral oxygen saturation and HR during and not only before and at the end of a standardized early rehabilitation session helped us to ensure the safety of our protocol. Because of its feasibility, safety and reproducibility our rehabilitation treatment has been applied to different types of surgical inpatients in order to limit the negative consequences of immobilization.

  9. Single d-metal atoms on F(s) and F(s+) defects of MgO(001): a theoretical study across the periodic table.

    Science.gov (United States)

    Neyman, Konstantin M; Inntam, Chan; Matveev, Alexei V; Nasluzov, Vladimir A; Rösch, Notker

    2005-08-24

    Single d-metal atoms on oxygen defects F(s) and F(s+) of the MgO(001) surface were studied theoretically. We employed an accurate density functional method combined with cluster models, embedded in an elastic polarizable environment, and we applied two gradient-corrected exchange-correlation functionals. In this way, we quantified how 17 metal atoms from groups 6-11 of the periodic table (Cu, Ag, Au; Ni, Pd, Pt; Co, Rh, Ir; Fe, Ru, Os; Mn, Re; and Cr, Mo, W) interact with terrace sites of MgO. We found bonding with F(s) and F(s+) defects to be in general stronger than that with O2- sites, except for Mn-, Re-, and Fe/F(s) complexes. In M/F(s) systems, electron density is accumulated on the metal center in a notable fashion. The binding energy on both kinds of O defects increases from 3d- to 4d- to 5d-atoms of a given group, at variance with the binding energy trend established earlier for the M/O2- complexes, 4d period, group 7 atoms are slightly destabilized compared to their group 6 congeners in both the F(s) and F(s+) complexes; for later transition elements, the binding energy increases gradually up to group 10 and finally decreases again in group 11, most strongly on the F(s) site. This trend is governed by the negative charge on the adsorbed atoms. We discuss implications for an experimental detection of metal atoms on oxide supports based on computed core-level energies.

  10. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-02

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

    Science.gov (United States)

    Chin, Ya-Huei Cathy; Buda, Corneliu; Neurock, Matthew; Iglesia, Enrique

    2011-10-12

    barrierless. In the absence of O(2), alternate weaker oxidants, such as H(2)O or CO(2), lead to a final kinetic regime in which C-H bond dissociation on *-* pairs at bare cluster surfaces limit CH(4) conversion rates. Rates become first-order in CH(4) and independent of coreactant and normal CH(4)/CD(4) kinetic isotope effects are observed. In this case, turnover rates increase with increasing dispersion, because low-coordination Pt atoms stabilize the C-H bond activation transition states more effectively via stronger binding to CH(3) and H fragments. These findings and their mechanistic interpretations are consistent with all rate and isotopic data and with theoretical estimates of activation barriers and of cluster size effects on transition states. They serve to demonstrate the essential role of the coverage and reactivity of chemisorbed oxygen in determining the type and effectiveness of surface structures in CH(4) oxidation reactions using O(2), H(2)O, or CO(2) as oxidants, as well as the diversity of rate dependencies, activation energies and entropies, and cluster size effects that prevail in these reactions. These results also show how theory and experiments can unravel complex surface chemistries on realistic catalysts under practical conditions and provide through the resulting mechanistic insights specific predictions for the effects of cluster size and surface coordination on turnover rates, the trends and magnitude of which depend sensitively on the nature of the predominant adsorbed intermediates and the kinetically relevant steps.

  12. Surface reaction mechanisms during ozone and oxygen plasma assisted atomic layer deposition of aluminum oxide.

    Science.gov (United States)

    Rai, Vikrant R; Vandalon, Vincent; Agarwal, Sumit

    2010-09-07

    We have elucidated the reaction mechanism and the role of the reactive intermediates in the atomic layer deposition (ALD) of aluminum oxide from trimethyl aluminum in conjunction with O(3) and an O(2) plasma. In situ attenuated total reflection Fourier transform infrared spectroscopy data show that both -OH groups and carbonates are formed on the surface during the oxidation cycle. These carbonates, once formed on the surface, are stable to prolonged O(3) exposure in the same cycle. However, in the case of plasma-assisted ALD, the carbonates decompose upon prolonged O(2) plasma exposure via a series reaction kinetics of the type, A (CH(3)) --> B (carbonates) --> C (Al(2)O(3)). The ratio of -OH groups to carbonates on the surface strongly depends on the oxidizing agent, and also the duration of the oxidation cycle in plasma-assisted ALD. However, in both O(3) and O(2) plasma cycles, carbonates are a small fraction of the total number of reactive sites compared to the hydroxyl groups.

  13. Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Lei, E-mail: cqglei@163.com [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Obot, Ime Bassey [Center of Research Excellence in Corrosion, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Zheng, Xingwen [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Shen, Xun [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Qiang, Yujie [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Kaya, Savaş; Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey)

    2017-06-01

    Highlights: • We obtained the habit information of α-Fe obtained by the “Morphology” module. • The adsorption of pyrrole, furan, and thiophene on Fe(110) surface were studied by DFT calculations. • Our DFT modeling provided a reasonable micro-explanation to the empirical rule. - Abstract: Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies of molecules containing heteroatoms is such that O < N < S. However, an atomic-level insight into the inhibition mechanism is still lacked. Thus, in this work, density functional theory calculations was used to investigate the adsorption of three typical heterocyclic molecules, i.e., pyrrole, furan, and thiophene, on Fe(110) surface. The approach is illustrated by carrying out geometric optimization of inhibitors on the stable and most exposed plane of α-Fe. Some salient features such as charge density difference, changes of work function, density of states were detailedly described. The present study is helpful to understand the afore-mentioned experiment rule.

  14. Crystallization behavior of single isotactic poly(methyl methacrylate) chains visualized by atomic force microscopy.

    Science.gov (United States)

    Anzai, Takahiro; Kawauchi, Mariko; Kawauchi, Takehiro; Kumaki, Jiro

    2015-01-08

    We have, for the first time, successfully visualized the crystallization behavior of a single isolated polymer chain at the molecular level by atomic force microscopy (AFM). Previously, we found that isotactic poly(methyl methacrylate) (it-PMMA) formed two-dimensional folded chain crystals composed of double-stranded helices upon compression of its Langmuir monolayer on a water surface, and the molecular images of the crystals deposited on mica were clearly visualized by AFM (Kumaki, J.; et al. J. Am. Chem. Soc. 2005, 127, 5788). In the present study, a high-molecular-weight it-PMMA was diluted in a monolayer of an it-PMMA oligomer which cannot crystallize at the experimental temperature due to its low molecular weight. At a low surface pressure, isolated amorphous chains of the high-molecular-weight it-PMMA solubilized in the oligomer monolayer were observed. On compression, the isolated chains converted to crystals composed of a single chain, typically some small crystallites linked by an amorphous chain like a necklace. Detailed AFM observations of the crystals indicated that the crystalline nuclei preferentially formed at the ends of the chains, and the size of the nuclei was almost independent of the molecular weight of it-PMMA over a wide range. At an extremely slow compression, crystallization was promoted, resulting in crystallization of the whole chain. The crystallization behavior of a single isolated chain provides new insights in understanding the polymer crystallization process.

  15. Self-sustained hysteretic motional oscillations of a single atom pumped by a laser standing wave

    CERN Document Server

    Kaplan, A E

    1999-01-01

    Summary form only given. Self-sustained oscillations/oscillators (SSO), man-made or naturally occurring, are some of the most universal phenomena. The common feature of all SSO is the so called positive feedback, which overcomes the damping by properly controlling the energy supply (pumping) from the outside source during the cycle of oscillations. Usually, the zero steady-state point of the system is unstable, and the oscillations grow up till they reach a stable limit cycle. The common quality of the resulting SSO is their well defined amplitude (the so called classical squeezing) at the expense of undetermined phase of oscillations. All the "mechanical motion" SSO known so far, were based on macro- systems, while it would be of great importance to develop a microscopic SS-oscillator based on a single particle (atom or ion), which would enable us to control the SSO mode from classical to quantum limits. The effect proposed is based on the interaction of a standing laser wave with an atom moving in along the...

  16. Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions.

    Science.gov (United States)

    Mitra, Mainak; Nimir, Hassan; Demeshko, Serhiy; Bhat, Satish S; Malinkin, Sergey O; Haukka, Matti; Lloret-Fillol, Julio; Lisensky, George C; Meyer, Franc; Shteinman, Albert A; Browne, Wesley R; Hrovat, David A; Richmond, Michael G; Costas, Miquel; Nordlander, Ebbe

    2015-08-03

    Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework have been synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl methyl)amine] (L(1)) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L(2)), where one or two pyridyl arms of N4Py have been replaced by corresponding (N-methyl)benzimidazolyl-containing arms. The complexes [Fe(II)(CH3CN)(L)](2+) (L = L(1) (1); L(2) (2)) were synthesized, and reaction of these ferrous complexes with iodosylbenzene led to the formation of the ferryl complexes [Fe(IV)(O)(L)](2+) (L = L(1) (3); L(2) (4)), which were characterized by UV-vis spectroscopy, high resolution mass spectrometry, and Mössbauer spectroscopy. Complexes 3 and 4 are relatively stable with half-lives at room temperature of 40 h (L = L(1)) and 2.5 h (L = L(2)). The redox potentials of 1 and 2, as well as the visible spectra of 3 and 4, indicate that the ligand field weakens as ligand pyridyl substituents are progressively substituted by (N-methyl)benzimidazolyl moieties. The reactivities of 3 and 4 in hydrogen-atom transfer (HAT) and oxygen-atom transfer (OAT) reactions show that both complexes exhibit enhanced reactivities when compared to the analogous N4Py complex ([Fe(IV)(O)(N4Py)](2+)), and that the normalized HAT rates increase by approximately 1 order of magnitude for each replacement of a pyridyl moiety; i.e., [Fe(IV)(O)(L(2))](2+) exhibits the highest rates. The second-order HAT rate constants can be directly related to the substrate C-H bond dissociation energies. Computational modeling of the HAT reactions indicates that the reaction proceeds via a high spin transition state.

  17. Absolute atomic oxygen and nitrogen densities in radio-frequency driven atmospheric pressure cold plasmas: Synchrotron vacuum ultra-violet high-resolution Fourier-transform absorption measurements

    International Nuclear Information System (INIS)

    Niemi, K.; O'Connell, D.; Gans, T.; Oliveira, N. de; Joyeux, D.; Nahon, L.; Booth, J. P.

    2013-01-01

    Reactive atomic species play a key role in emerging cold atmospheric pressure plasma applications, in particular, in plasma medicine. Absolute densities of atomic oxygen and atomic nitrogen were measured in a radio-frequency driven non-equilibrium plasma operated at atmospheric pressure using vacuum ultra-violet (VUV) absorption spectroscopy. The experiment was conducted on the DESIRS synchrotron beamline using a unique VUV Fourier-transform spectrometer. Measurements were carried out in plasmas operated in helium with air-like N 2 /O 2 (4:1) admixtures. A maximum in the O-atom concentration of (9.1 ± 0.7)×10 20 m −3 was found at admixtures of 0.35 vol. %, while the N-atom concentration exhibits a maximum of (5.7 ± 0.4)×10 19 m −3 at 0.1 vol. %

  18. Minimizing pulling geometry errors in atomic force microscope single molecule force spectroscopy.

    Science.gov (United States)

    Rivera, Monica; Lee, Whasil; Ke, Changhong; Marszalek, Piotr E; Cole, Daniel G; Clark, Robert L

    2008-10-01

    In atomic force microscopy-based single molecule force spectroscopy (AFM-SMFS), it is assumed that the pulling angle is negligible and that the force applied to the molecule is equivalent to the force measured by the instrument. Recent studies, however, have indicated that the pulling geometry errors can drastically alter the measured force-extension relationship of molecules. Here we describe a software-based alignment method that repositions the cantilever such that it is located directly above the molecule's substrate attachment site. By aligning the applied force with the measurement axis, the molecule is no longer undergoing combined loading, and the full force can be measured by the cantilever. Simulations and experimental results verify the ability of the alignment program to minimize pulling geometry errors in AFM-SMFS studies.

  19. Signature of f -electron conductance in α -Ce single-atom contacts

    Science.gov (United States)

    Kuntz, Sebastian; Berg, Oliver; Sürgers, Christoph; Löhneysen, Hilbert v.

    2017-08-01

    Cerium is a fascinating element exhibiting, with its different phases, long-range magnetic order and superconductivity in bulk form. The coupling of the 4 f electron to s d conduction electrons and to the lattice is responsible for unique structural and electronic properties like the isostructural first-order solid-solid transition from the cubic γ phase to the cubic α phase, which is accompanied by a huge volume collapse of 14%. We report experiments aiming at disentangling the 4 f contribution to the electric conductance of the different phases. On single-atom Ce contacts we observe a strongly enhanced conductance G . By controlling the content of α -Ce employing different rates of cooling, we find a strong correlation between the fraction of α -Ce and the magnitude of G at the last conductance plateau before the contact breaks. We attribute the enhanced conductance of α -Ce to the additional contribution of the 4 f level.

  20. Characterization of single-crystal sapphire substrates by X-ray methods and atomic force microscopy

    International Nuclear Information System (INIS)

    Prokhorov, I. A.; Zakharov, B. G.; Asadchikov, V. E.; Butashin, A. V.; Roshchin, B. S.; Tolstikhina, A. L.; Zanaveskin, M. L.; Grishchenko, Yu. V.; Muslimov, A. E.; Yakimchuk, I. V.; Volkov, Yu. O.; Kanevskii, V. M.; Tikhonov, E. O.

    2011-01-01

    The possibility of characterizing a number of practically important parameters of sapphire substrates by X-ray methods is substantiated. These parameters include wafer bending, traces of an incompletely removed damaged layer that formed as a result of mechanical treatment (scratches and marks), surface roughness, damaged layer thickness, and the specific features of the substrate real structure. The features of the real structure of single-crystal sapphire substrates were investigated by nondestructive methods of double-crystal X-ray diffraction and plane-wave X-ray topography. The surface relief of the substrates was investigated by atomic force microscopy and X-ray scattering. The use of supplementing analytical methods yields the most complete information about the structural inhomogeneities and state of crystal surface, which is extremely important for optimizing the technology of substrate preparation for epitaxy.

  1. Atomic force microscope observation of branching in single transcript molecules derived from human cardiac muscle

    Science.gov (United States)

    Reed, Jason; Hsueh, Carlin; Mishra, Bud; Gimzewski, James K.

    2008-09-01

    We have used an atomic force microscope to examine a clinically derived sample of single-molecule gene transcripts, in the form of double-stranded cDNA, (c: complementary) obtained from human cardiac muscle without the use of polymerase chain reaction (PCR) amplification. We observed a log-normal distribution of transcript sizes, with most molecules being in the range of 0.4-7.0 kilobase pairs (kb) or 130-2300 nm in contour length, in accordance with the expected distribution of mRNA (m: messenger) sizes in mammalian cells. We observed novel branching structures not previously known to exist in cDNA, and which could have profound negative effects on traditional analysis of cDNA samples through cloning, PCR and DNA sequencing.

  2. Filling of double vacancy in the K atomic shell with emission of one single photon

    International Nuclear Information System (INIS)

    Jalbert, G.

    1978-12-01

    A method was developed to calculate the transition rate for two-electron one-photon K(sub αα) transition (2s 2p → 1s 2 ). The method was tested for Ni with two K-shell vacancies in the initial state. The (sub αα) rate is calculated within the framework of a single system formed by the atom and the radiation. The transition is originated in the interactiion between the parts of that system. In the dipole approximation, the transition rate is obtained from the second order term of the time dependente perturbation theory. Hartree-Fock-Slater wave functions were used in the calculations for Ni. The results are compared with the available theoretical and experimental information. (Author) [pt

  3. Influence of crystal defects on the chemical reactivity of recoil atoms in oxygen-containing chromium compounds; Influence des defauts cristallins sur la reactivite chimique des atomes de recul dans des composes oxygenes du chrome

    Energy Technology Data Exchange (ETDEWEB)

    Costea, T. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    The influence of crystal defects on the chemical reactivity of recoil atoms produced by the reaction {sup 50}Cr (n,{gamma}){sup 51}Cr in oxygen-containing chromium compounds has been studied. Three methods have been used to introduce the defects: doping (K{sub 2}CrO{sub 4} doped with BaCrO{sub 4}), irradiation by ionizing radiation (K{sub 2}CrO{sub 4} irradiated in the presence of Li{sub 2}CO{sub 3}) and non-stoichiometry (the semi-conducting oxides of the CrO{sub 3}-Cr{sub 2}O{sub 3} series). The thermal annealing kinetics of the irradiated samples have been determined, and the activation energy has been calculated. In all cases it has been observed that there is a decrease in the activation energy for thermal annealing in the presence of the defects. In order to explain the annealing process, an electronic mechanism has been proposed based on the interaction between the recoil species and the charge-carriers (holes or electrons). (author) [French] On a etudie l'influence des defauts cristallins sur la reactivite chimique des atomes de recul produits par la reaction {sup 50}cr (n,{gamma}){sup 51}Cr, dans des composes oxygenes du chrome. Les defauts ont ete introduits par trois voies: dopage (K{sub 2}CrO{sub 4} dope avec BaCrO{sub 4}), irradiation avec des radiations ionisantes (K{sub 2}CrO{sub 4} irradie en presence de Li{sub 2}CO{sub 3}) et non-stoechiometrie (les oxydes semiconducteurs de la serie CrO{sub 3}-Cr{sub 2}O{sub 3}). On a determine la cinetique du recuit thermique des echantillons irradies et on a calcule l'energie d'activation. Dans tous les cas, on a observe, en presence des defauts, une diminution de l'energie d'activalion du recuit thermique. On a propose, pour expliquer les processus de recuit, un mecanisme electronique base sur l'interaction entre les especes de recul et les porteurs de charge (trous ou electrons). (auteur)

  4. Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics.

    Science.gov (United States)

    Wu, Wenzhuo; Wang, Lei; Li, Yilei; Zhang, Fan; Lin, Long; Niu, Simiao; Chenet, Daniel; Zhang, Xian; Hao, Yufeng; Heinz, Tony F; Hone, James; Wang, Zhong Lin

    2014-10-23

    The piezoelectric characteristics of nanowires, thin films and bulk crystals have been closely studied for potential applications in sensors, transducers, energy conversion and electronics. With their high crystallinity and ability to withstand enormous strain, two-dimensional materials are of great interest as high-performance piezoelectric materials. Monolayer MoS2 is predicted to be strongly piezoelectric, an effect that disappears in the bulk owing to the opposite orientations of adjacent atomic layers. Here we report the first experimental study of the piezoelectric properties of two-dimensional MoS2 and show that cyclic stretching and releasing of thin MoS2 flakes with an odd number of atomic layers produces oscillating piezoelectric voltage and current outputs, whereas no output is observed for flakes with an even number of layers. A single monolayer flake strained by 0.53% generates a peak output of 15 mV and 20 pA, corresponding to a power density of 2 mW m(-2) and a 5.08% mechanical-to-electrical energy conversion efficiency. In agreement with theoretical predictions, the output increases with decreasing thickness and reverses sign when the strain direction is rotated by 90°. Transport measurements show a strong piezotronic effect in single-layer MoS2, but not in bilayer and bulk MoS2. The coupling between piezoelectricity and semiconducting properties in two-dimensional nanomaterials may enable the development of applications in powering nanodevices, adaptive bioprobes and tunable/stretchable electronics/optoelectronics.

  5. Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: A first-principles investigation

    KAUST Repository

    Liu, Xin

    2015-01-01

    Taking CO oxidation as a probe, we investigated the electronic structure and reactivity of Pt atoms stabilized by vacancy defects on hexagonal boron nitride (h-BN) by first-principles-based calculations. As a joint effect of the high reactivity of both a single Pt atom and a boron vacancy defect (PtBV), the Pt-N interaction is -4.40 eV and is already strong enough to prohibit the diffusion and aggregation of the stabilized Pt atom. Facilitated by the upshifted Pt-d states originated from the Pt-N interaction, the barriers for CO oxidation through the Langmuir-Hinshelwood mechanism for formation and dissociation of peroxide-like intermediate and the regeneration are as low as 0.38, 0.10 and 0.04 eV, respectively, suggesting the superiority of PtBV as a catalyst for low temperature CO oxidation.

  6. High time resolution measurements of the thermosphere from Fabry-Perot Interferometer measurements of atomic oxygen

    Directory of Open Access Journals (Sweden)

    E. A. K. Ford

    2007-06-01

    Full Text Available Recent advances in the performance of CCD detectors have enabled a high time resolution study of the high latitude upper thermosphere with Fabry-Perot Interferometers (FPIs to be performed. 10-s integration times were used during a campaign in April 2004 on an FPI located in northern Sweden in the auroral oval. The FPI is used to study the thermosphere by measuring the oxygen red line emission at 630.0 nm, which emits at an altitude of approximately 240 km. Previous time resolutions have been 4 min at best, due to the cycle of look directions normally observed. By using 10 s rather than 40 s integration times, and by limiting the number of full cycles in a night, high resolution measurements down to 15 s were achievable. This has allowed the maximum variability of the thermospheric winds and temperatures, and 630.0 nm emission intensities, at approximately 240 km, to be determined as a few minutes. This is a significantly greater variability than the often assumed value of 1 h or more. A Lomb-Scargle analysis of this data has shown evidence of gravity wave activity with waves with short periods. Gravity waves are an important feature of mesosphere-lower thermosphere (MLT dynamics, observed using many techniques and providing an important mechanism for energy transfer between atmospheric regions. At high latitudes gravity waves may be generated in-situ by localised auroral activity. Short period waves were detected in all four clear nights when this experiment was performed, in 630.0 nm intensities and thermospheric winds and temperatures. Waves with many periodicities were observed, from periods of several hours, down to 14 min. These waves were seen in all parameters over several nights, implying that this variability is a typical property of the thermosphere.

  7. Using micro-patterned sensors and cell self-assembly for measuring the oxygen consumption rate of single cells

    International Nuclear Information System (INIS)

    Etzkorn, James R; Parviz, Babak A; Wu, Wen-Chung; Tian, Zhiyuan; Kim, Prince; Jang, Sei-Hum; Jen, Alex K-Y; Meldrum, Deirdre R

    2010-01-01

    We present a method for self-assembling arrays of live single cells on a glass chip using a photopatternable polymer to form micro-traps. We have studied the single-cell self-assembly method and optimized the process to obtain a 52% yield of single-trapped cells. We also report a method to measure the oxygen consumption rate of a single cell using micro-patterned sensors. These molecular oxygen sensors were fabricated around each micro-trap allowing optical interrogation of oxygen concentration in the immediate environment of the trapped cell. Micromachined micro-wells were then used to seal the trap, sensor and cell in order to determine the oxygen consumption rate of single cells. These techniques reported here add to the collection of tools for performing 'singe-cell' biology. An oxygen consumption rate of 1.05 ± 0.28 fmol min −1 was found for a data set consisting of 25 single A549 cells.

  8. Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

    DEFF Research Database (Denmark)

    Ruban, Andrei; Simak, S.I.; Korzhavyi, P.A.

    2002-01-01

    -electron potential and energy. In the case of a random alloy such interactions can be accounted for only by lifting the atomic-sphere and single-site approximations, in order to include the polarization due to local environment effects. Nevertheless, a simple parametrization of the screened Coulomb interactions......A quantitative description of the configurational part of the total energy of metallic alloys with substantial atomic size difference cannot be achieved in the atomic-sphere approximation: It needs to be corrected at least for the multipole-moment interactions in the Madelung part of the one...

  9. Ultrafast growth of single-crystal graphene assisted by a continuous oxygen supply

    Science.gov (United States)

    Xu, Xiaozhi; Zhang, Zhihong; Qiu, Lu; Zhuang, Jianing; Zhang, Liang; Wang, Huan; Liao, Chongnan; Song, Huading; Qiao, Ruixi; Gao, Peng; Hu, Zonghai; Liao, Lei; Liao, Zhimin; Yu, Dapeng; Wang, Enge; Ding, Feng; Peng, Hailin; Liu, Kaihui

    2016-11-01

    Graphene has a range of unique physical properties and could be of use in the development of a variety of electronic, photonic and photovoltaic devices. For most applications, large-area high-quality graphene films are required and chemical vapour deposition (CVD) synthesis of graphene on copper surfaces has been of particular interest due to its simplicity and cost effectiveness. However, the rates of growth for graphene by CVD on copper are less than 0.4 μm s-1, and therefore the synthesis of large, single-crystal graphene domains takes at least a few hours. Here, we show that single-crystal graphene can be grown on copper foils with a growth rate of 60 μm s-1. Our high growth rate is achieved by placing the copper foil above an oxide substrate with a gap of ∼15 μm between them. The oxide substrate provides a continuous supply of oxygen to the surface of the copper catalyst during the CVD growth, which significantly lowers the energy barrier to the decomposition of the carbon feedstock and increases the growth rate. With this approach, we are able to grow single-crystal graphene domains with a lateral size of 0.3 mm in just 5 s.

  10. Switchable diode effect in oxygen vacancy-modulated SrTiO{sub 3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Xinqiang; Shuai, Yao; Wu, Chuangui; Luo, Wenbo; Sun, Xiangyu; Zeng, Huizhong; Bai, Xiaoyuan; Gong, Chaoguan; Jian, Ke; Zhang, Wanli [University of Electronic Science and Technology of China, State Key Laboratory of Electronic Thin Films and Integrated Devices, Chengdu (China); Zhang, Lu; Guo, Hongliang [University of Electronic Science and Technology of China, The Center for Robotics, Chengdu (China); Tian, Benlang [26th Institute of China Electronics Technology Group Corporation, Chongqing (China)

    2017-09-15

    SrTiO{sub 3} (STO) single crystal wafer was annealed in vacuum, and co-planar metal-insulator-metal structure of Pt/Ti/STO/Ti/Pt were formed by sputtering Pt/Ti electrodes onto the surface of STO after annealing. The forming-free resistive switching behavior with self-compliance property was observed in the sample. The sample showed switchable diode effect, which is explained by a simple model that redistribution of oxygen vacancies (OVs) under the external electric field results in the formation of n-n{sup +} junction or n{sup +}-n junction (n donated n-type semiconductor; n{sup +} donated heavily doped n-type semiconductor). The self-compliance property is also interpreted by the formation of n-n{sup +}/n{sup +}-n junction caused by the migration of the OVs under the electric field. (orig.)

  11. Single- and double-slit collimating effects on fast-atom diffraction spectra

    Energy Technology Data Exchange (ETDEWEB)

    Gravielle, M.S., E-mail: msilvia@iafe.uba.ar; Miraglia, J.E.

    2016-09-01

    Diffraction patterns produced by fast He atoms grazingly impinging on a LiF(0 0 1) surface are investigated focusing on the influence of the beam collimation. Single- and double-slit collimating devices situated in front of the beam source are considered. To describe the scattering process we use the Surface Initial Value Representation (SIVR) approximation, which is a semi-quantum approach that incorporates a realistic description of the initial wave packet in terms of the collimating parameters. Our initial wave-packet model is based on the Van Cittert–Zernike theorem. For a single-slit collimation the width of the collimating aperture controls the shape of the azimuthal angle distribution, making different interference mechanisms visible, while the length of the slit affects the polar angle distribution. Additionally, we found that by means of a double-slit collimation it might be possible to obtain a wide polar angle distribution, which is associated with a large spread of the initial momentum perpendicular to the surface, derived from the uncertainty principle. It might be used as a simple way to probe the surface potential for different normal energies.

  12. Single Crystalline Film of Hexagonal Boron Nitride Atomic Monolayer by Controlling Nucleation Seeds and Domains.

    Science.gov (United States)

    Wu, Qinke; Park, Ji-Hoon; Park, Sangwoo; Jung, Seong Jun; Suh, Hwansoo; Park, Noejung; Wongwiriyapan, Winadda; Lee, Sungjoo; Lee, Young Hee; Song, Young Jae

    2015-11-05

    A monolayer hexagonal boron nitride (h-BN) film with controllable domain morphology and domain size (varying from less than 1 μm to more than 100 μm) with uniform crystalline orientation was successfully synthesized by chemical vapor deposition (CVD). The key for this extremely large single crystalline domain size of a h-BN monolayer is a decrease in the density of nucleation seeds by increasing the hydrogen gas flow during the h-BN growth. Moreover, the well-defined shape of h-BN flakes can be selectively grown by controlling Cu-annealing time under argon atmosphere prior to h-BN growth, which provides the h-BN shape varies in triangular, trapezoidal, hexagonal and complex shapes. The uniform crystalline orientation of h-BN from different nucleation seeds can be easily confirmed by polarized optical microscopy (POM) with a liquid crystal coating. Furthermore, seamlessly merged h-BN flakes without structural domain boundaries were evidence by a selective hydrogen etching after a full coverage of a h-BN film was achieved. This seamless large-area and atomic monolayer of single crystalline h-BN film can offer as an ideal and practical template of graphene-based devices or alternative two-dimensional materials for industrial applications with scalability.

  13. Electromechanical Characterization of Single GaN Nanobelt Probed with Conductive Atomic Force Microscope

    Science.gov (United States)

    Yan, X. Y.; Peng, J. F.; Yan, S. A.; Zheng, X. J.

    2018-04-01

    The electromechanical characterization of the field effect transistor based on a single GaN nanobelt was performed under different loading forces by using a conductive atomic force microscope (C-AFM), and the effective Schottky barrier height (SBH) and ideality factor are simulated by the thermionic emission model. From 2-D current image, the high value of the current always appears on the nanobelt edge with the increase of the loading force less than 15 nN. The localized (I-V) characteristic reveals a typical rectifying property, and the current significantly increases with the loading force at the range of 10-190 nN. The ideality factor is simulated as 9.8 within the scope of GaN nano-Schottky diode unity (6.5-18), therefore the thermionic emission current is dominant in the electrical transport of the GaN-tip Schottky junction. The SBH is changed through the piezoelectric effect induced by the loading force, and it is attributed to the enhanced current. Furthermore, a single GaN nanobelt has a high mechanical-induced current ratio that could be made use of in a nanoelectromechanical switch.

  14. Thermally stable single atom Pt/m-Al2O3 for selective hydrogenation and CO oxidation

    KAUST Repository

    Zhang, Zailei

    2017-07-27

    Single-atom metal catalysts offer a promising way to utilize precious noble metal elements more effectively, provided that they are catalytically active and sufficiently stable. Herein, we report a synthetic strategy for Pt single-atom catalysts with outstanding stability in several reactions under demanding conditions. The Pt atoms are firmly anchored in the internal surface of mesoporous Al2O3, likely stabilized by coordinatively unsaturated pentahedral Al3+ centres. The catalyst keeps its structural integrity and excellent performance for the selective hydrogenation of 1,3-butadiene after exposure to a reductive atmosphere at 200 °C for 24 h. Compared to commercial Pt nanoparticle catalyst on Al2O3 and control samples, this system exhibits significantly enhanced stability and performance for n-hexane hydro-reforming at 550 °C for 48 h, although agglomeration of Pt single-atoms into clusters is observed after reaction. In CO oxidation, the Pt single-atom identity was fully maintained after 60 cycles between 100 and 400 °C over a one-month period.

  15. Assembling three-dimensional nanostructures on metal surfaces with a reversible vertical single-atom manipulation: A theoretical modeling

    International Nuclear Information System (INIS)

    Yang Tianxing; Ye Xiang; Huang Lei; Xie Yiqun; Ke Sanhuang

    2012-01-01

    Highlights: ► We simulate the reversible vertical single-atom manipulations on several metal surfaces. ► We propose a method to predict whether a reversible vertical single-atom manipulation can be successful on several metal surfaces. ► A 3-dimensional Ni nanocluster is assembled on the Ni(1 1 1) surface using a Ni trimer-apex tip. - Abstract: We propose a theoretical model to show that pulling up an adatom from an atomic step requires a weaker force than from the flat surfaces of Al(0 0 1), Ni(1 1 1), Pt(1 1 0) and Au(1 1 0). Single adatom in the atomic step can be extracted vertically by a trimer-apex tip while can be released to the flat surface. This reversible vertical manipulation can then be used to fabricate a supported three-dimensional (3D) nanostructure on the Ni(1 1 1) surface. The present modeling can be used to predict whether the reversible vertical single-atom manipulation and thus the assembling of 3D nanostructures can be achieved on a metal surface.

  16. Intensity-gradient induced Sisyphus cooling of a single atom in a localized hollow-beam trap

    International Nuclear Information System (INIS)

    Yin, Yaling; Xia, Yong; Ren, Ruimin; Du, Xiangli; Yin, Jianping

    2015-01-01

    In order to realize a convenient and efficient laser cooling of a single atom, we propose a simple and promising scheme to cool a single neutral atom in a blue-detuned localized hollow-beam trap by intensity-gradient induced Sisyphus cooling, and study the dynamic process of the intensity-gradient cooling of a single 87 Rb atom in the localized hollow-beam trap by using Monte-Carlo simulations. Our study shows that a single 87 Rb atom with a temperature of 120 μK from a magneto-optical trap (MOT) can be directly cooled to a final temperature of 4.64 μK in our proposed scheme. We also investigate the dependences of the cooling results on the laser detuning δ of the localized hollow-beam, the power RP 0 of the re-pumping laser beam, the sizes of both the localized hollow-beam and the re-pumping beam, and find that there is a pair of optimal cooling parameters (δ and RP 0 ) for an expected lowest temperature, and the cooling results strongly depend on the size of the re-pumping beam, but weakly depend on the size of the localized hollow-beam. Finally, we further study the cooling potential of our localized hollow-beam trap for the initial temperature of a single atom, and find that a single 87 Rb atom with an initial temperature of higher than 1 mK can also be cooled directly to about 6.6 μK. (paper)

  17. Molecular Processes Studied at a Single-Molecule Level Using DNA Origami Nanostructures and Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Ilko Bald

    2014-09-01

    Full Text Available DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates.

  18. Process design and simulation for optimizing the oxygen concentration in Czochralski-grown single-crystal silicon

    International Nuclear Information System (INIS)

    Jung, Y. J.; Kim, W. K.; Jung, J. H.

    2014-01-01

    The highest-concentration impurity in a single-crystal silicon ingot is oxygen, which infiltrates the ingot during growth stage. This oxygen adversely affects the wafer is quality. This study was aimed at finding an optimal design for the Czochralski (Cz) process to enable high-quality and low cost (by reducing power consumption) wafer production by controlling the oxygen concentration in the silicon ingots. In the Cz process, the characteristics of silicon ingots during crystallization are greatly influenced by the design and the configuration of the hot zone, and by crystallization rate. In order to identify process conditions for obtaining an optimal oxygen concentration of 11 - 13 ppma (required for industrial-grade ingots), designed two shield shapes for the hot zone. Furthermore, oxygen concentrations corresponding to these two shapes were compared by evaluating each shape at five different production speeds. In addition, simulations were performed to identify the optimal shield design for industrial applications.

  19. Process design and simulation for optimizing the oxygen concentration in Czochralski-grown single-crystal silicon

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Y. J.; Kim, W. K.; Jung, J. H. [Yeungnam University, Gyeongsan (Korea, Republic of)

    2014-08-15

    The highest-concentration impurity in a single-crystal silicon ingot is oxygen, which infiltrates the ingot during growth stage. This oxygen adversely affects the wafer is quality. This study was aimed at finding an optimal design for the Czochralski (Cz) process to enable high-quality and low cost (by reducing power consumption) wafer production by controlling the oxygen concentration in the silicon ingots. In the Cz process, the characteristics of silicon ingots during crystallization are greatly influenced by the design and the configuration of the hot zone, and by crystallization rate. In order to identify process conditions for obtaining an optimal oxygen concentration of 11 - 13 ppma (required for industrial-grade ingots), designed two shield shapes for the hot zone. Furthermore, oxygen concentrations corresponding to these two shapes were compared by evaluating each shape at five different production speeds. In addition, simulations were performed to identify the optimal shield design for industrial applications.

  20. Low Po2 conditions induce reactive oxygen species formation during contractions in single skeletal muscle fibers

    Science.gov (United States)

    Shiah, Amy; Roberts, William J.; Chien, Michael T.; Wagner, Peter D.; Hogan, Michael C.

    2013-01-01

    Contractions in whole skeletal muscle during hypoxia are known to generate reactive oxygen species (ROS); however, identification of real-time ROS formation within isolated single skeletal muscle fibers has been challenging. Consequently, there is no convincing evidence showing increased ROS production in intact contracting fibers under low Po2 conditions. Therefore, we hypothesized that intracellular ROS generation in single contracting skeletal myofibers increases during low Po2 compared with a value approximating normal resting Po2. Dihydrofluorescein was loaded into single frog (Xenopus) fibers, and fluorescence was used to monitor ROS using confocal microscopy. Myofibers were exposed to two maximal tetanic contractile periods (1 contraction/3 s for 2 min, separated by a 60-min rest period), each consisting of one of the following treatments: high Po2 (30 Torr), low Po2 (3–5 Torr), high Po2 with ebselen (antioxidant), or low Po2 with ebselen. Ebselen (10 μM) was administered before the designated contractile period. ROS formation during low Po2 treatment was greater than during high Po2 treatment, and ebselen decreased ROS generation in both low- and high-Po2 conditions (P Po2. Force was reduced >30% for each condition except low Po2 with ebselen, which only decreased ∼15%. We concluded that single myofibers under low Po2 conditions develop accelerated and more oxidative stress than at Po2 = 30 Torr (normal human resting Po2). Ebselen decreases ROS formation in both low and high Po2, but only mitigates skeletal muscle fatigue during reduced Po2 conditions. PMID:23576612

  1. Xenon gas field ion source from a single-atom tip

    Science.gov (United States)

    Lai, Wei-Chiao; Lin, Chun-Yueh; Chang, Wei-Tse; Li, Po-Chang; Fu, Tsu-Yi; Chang, Chia-Seng; Tsong, T. T.; Hwang, Ing-Shouh

    2017-06-01

    Focused ion beam (FIB) systems have become powerful diagnostic and modification tools for nanoscience and nanotechnology. Gas field ion sources (GFISs) built from atomic-size emitters offer the highest brightness among all ion sources and thus can improve the spatial resolution of FIB systems. Here we show that the Ir/W(111) single-atom tip (SAT) can emit high-brightness Xe+ ion beams with a high current stability. The ion emission current versus extraction voltage was analyzed from 150 K up to 309 K. The optimal emitter temperature for maximum Xe+ ion emission was ˜150 K and the reduced brightness at the Xe gas pressure of 1 × 10-4 torr is two to three orders of magnitude higher than that of a Ga liquid metal ion source, and four to five orders of magnitude higher than that of a Xe inductively coupled plasma ion source. Most surprisingly, the SAT emitter remained stable even when operated at 309 K. Even though the ion current decreased with increasing temperature, the current at room temperature (RT) could still reach over 1 pA when the gas pressure was higher than 1 × 10-3 torr, indicating the feasibility of RT-Xe-GFIS for application to FIB systems. The operation temperature of Xe-SAT-GFIS is considerably higher than the cryogenic temperature required for the helium ion microscope (HIM), which offers great technical advantages because only simple or no cooling schemes can be adopted. Thus, Xe-GFIS-FIB would be easy to implement and may become a powerful tool for nanoscale milling and secondary ion mass spectroscopy.

  2. Influence of crystal defects on the chemical reactivity of recoil atoms in oxygen-containing chromium compounds

    International Nuclear Information System (INIS)

    Costea, T.

    1969-01-01

    The influence of crystal defects on the chemical reactivity of recoil atoms produced by the reaction 50 Cr (n,γ) 51 Cr in oxygen-containing chromium compounds has been studied. Three methods have been used to introduce the defects: doping (K 2 CrO 4 doped with BaCrO 4 ), irradiation by ionizing radiation (K 2 CrO 4 irradiated in the presence of Li 2 CO 3 ) and non-stoichiometry (the semi-conducting oxides of the CrO 3 -Cr 2 O 3 series). The thermal annealing kinetics of the irradiated samples have been determined, and the activation energy has been calculated. In all cases it has been observed that there is a decrease in the activation energy for thermal annealing in the presence of the defects. In order to explain the annealing process, an electronic mechanism has been proposed based on the interaction between the recoil species and the charge-carriers (holes or electrons). (author) [fr

  3. Oxygenated interface on biomass burn tar balls determined by single particle scanning transmission X-ray microscopy.

    Science.gov (United States)

    Tivanski, Alexei V; Hopkins, Rebecca J; Tyliszczak, Tolek; Gilles, Mary K

    2007-06-28

    Carbonaceous particles originating from biomass burning can account for a large fraction of organic aerosols in a local environment. Presently, their composition, physical and chemical properties, as well as their environmental effects are largely unknown. Tar balls, a distinct type of highly spherical carbonaceous biomass burn particles, have been observed in a number of field campaigns. The Yosemite Aerosol Characterization Study that took place in summer 2002 occurred during an active fire season in the western United States; tar balls collected during this field campaign are described in this article. Scanning transmission X-ray microscopy and near-edge X-ray absorption fine structure spectroscopy are used to determine the shape, structure, and size-dependent chemical composition of approximately 150 individual spherical particles ranging in size from 0.15 to 1.2 mum. The elemental composition of tar balls is approximately 55% atomic carbon and approximately 45% atomic oxygen. Oxygen is present primarily as carboxylic carbonyls and oxygen-substituted alkyl (O-alkyl-C) functional groups, followed by moderate amounts of ketonic carbonyls. The observed chemical composition, density, and carbon functional groups are distinctly different from soot or black carbon and more closely resemble high molecular weight polymeric humic-like substances, which could account for their reported optical properties. A detailed examination of the carboxylic carbonyl and O-alkyl-C functional groups as a function of particle size reveals a thin oxygenated interface layer. The high oxygen content, as well as the presence of water-soluble carboxylic carbonyl groups, could account for the reported hygroscopic properties of tar balls. The presence of the oxygenated layer is attributed to atmospheric processing of biomass burn particles.

  4. Combining confocal and atomic force microscopy to quantify single-virus binding to mammalian cell surfaces.

    Science.gov (United States)

    Newton, Richard; Delguste, Martin; Koehler, Melanie; Dumitru, Andra C; Laskowski, Pawel R; Müller, Daniel J; Alsteens, David

    2017-11-01

    Over the past five years, atomic force microscopy (AFM)-based approaches have evolved into a powerful multiparametric tool set capable of imaging the surfaces of biological samples ranging from single receptors to membranes and tissues. One of these approaches, force-distance curve-based AFM (FD-based AFM), uses a probing tip functionalized with a ligand to image living cells at high-resolution and simultaneously localize and characterize specific ligand-receptor binding events. Analyzing data from FD-based AFM experiments using appropriate probabilistic models allows quantification of the kinetic and thermodynamic parameters that describe the free-energy landscape of the ligand-receptor bond. We have recently developed an FD-based AFM approach to quantify the binding events of single enveloped viruses to surface receptors of living animal cells while simultaneously observing them by fluorescence microscopy. This approach has provided insights into the early stages of the interaction between a virus and a cell. Applied to a model virus, we probed the specific interaction with cells expressing viral cognate receptors and measured the affinity of the interaction. Furthermore, we observed that the virus rapidly established specific multivalent interactions and found that each bond formed in sequence strengthened the attachment of the virus to the cell. Here we describe detailed procedures for probing the specific interactions of viruses with living cells; these procedures cover tip preparation, cell sample preparation, step-by-step FD-based AFM imaging and data analysis. Experienced microscopists should be able to master the entire set of protocols in 1 month.

  5. Photopicking : In Situ Approach for Site-Specific Attachment of Single Multiprotein Nanoparticles to Atomic Force Microscopy Tips

    NARCIS (Netherlands)

    Liashkovich, Ivan; Rosso, Gonzalo; Rangl, Martina; Ebner, Andreas; Hafezi, Wali; Kühn, Joachim; Schön, Peter; Hinterdorfer, Peter; Shahin, Victor

    2017-01-01

    Ligand–receptor interactions are fundamental in life sciences and include hormone–receptor, protein–protein, pathogen–host, and cell–cell interactions, among others. Atomic force microscopy (AFM) proved to be invaluable for scrutinizing ligand–receptor interactions at the single molecular level.

  6. Open quantum systems and the two-level atom interacting with a single mode of the electromagnetic field

    International Nuclear Information System (INIS)

    Sandulescu, A.; Stefanescu, E.

    1987-07-01

    On the basis of Lindblad theory of open quantum systems we obtain new optical equations for the system of two-level atom interacting with a single mode of the electromagnetic field. The conventional Block equations in a generalized form with field phases are obtained in the hypothesis that all the terms are slowly varying in the rotating frame.(authors)

  7. First-principle study of single TM atoms X (X=Fe, Ru or Os) doped monolayer WS2 systems

    Science.gov (United States)

    Zhu, Yuan-Yan; Zhang, Jian-Min

    2018-05-01

    We report the structural, magnetic and electronic properties of the pristine and single TM atoms X (X = Fe, Ru or Os) doped monolayer WS2 systems based on first-principle calculations. The results show that the W-S bond shows a stronger covalent bond, but the covalency is obviously weakened after the substitution of W atom with single X atoms, especially for Ru (4d75s1) with the easily lost electronic configuration. The smaller total energies of the doped systems reveal that the spin-polarized states are energetically favorable than the non-spin-polarized states, and the smallest total energy of -373.918 eV shows the spin-polarized state of the Os doped monolayer WS2 system is most stable among three doped systems. In addition, although the pristine monolayer WS2 system is a nonmagnetic-semiconductor with a direct band gap of 1.813 eV, single TM atoms Fe and Ru doped monolayer WS2 systems transfer to magnetic-HM with the total moments Mtot of 1.993 and 1.962 μB , while single TM atom Os doped monolayer WS2 systems changes to magnetic-metal with the total moments Mtot of 1.569 μB . Moreover, the impurity states with a positive spin splitting energies of 0.543, 0.276 and 0.1999 eV near the Fermi level EF are mainly contributed by X-dxy and X-dx2-y2 states hybridized with its nearest-neighbor atom W-dz2 states for Fe, Ru and Os doped monolayer WS2 system, respectively. Finally, we hope that the present study on monolayer WS2 will provide a useful theoretical guideline for exploring low-dimensional spintronic materials in future experiments.

  8. Novel parallel plate condenser for single particle electrostatic force measurements in atomic force microscope

    KAUST Repository

    Kwek, Jin Wang

    2011-07-01

    A combination of small parallel plate condenser with Indium Tin Oxide (ITO) glass slides as electrodes and an atomic force microscope (AFM) is used to characterize the electrostatic behavior of single glass bead microparticles (105-150 μm) glued to the AFM cantilever. This novel setup allows measurements of the electrostatic forces acting on a particle in an applied electrical field to be performed in ambient air conditions. By varying the position of the microparticle between the electrodes and the strength of the applied electric field, the relative contributions of the particle net charge, induced and image charges were investigated. When the microparticle is positioned in the middle of the electrodes, the force acting on the microparticle was linear with the applied electric field and proportional to the microparticle net charge. At distances close to the bottom electrode, the force follows a parabolic relationship with the applied electric field reflecting the contributions of induced and image charges. The method can be used for the rapid evaluation of the charging and polarizability properties of the microparticle as well as an alternative to the conventional Faraday\\'s pail technique. © 2011 Elsevier B.V.

  9. Galvanomagnetic properties of atomic-disordered Sr2RuO4 single crystals

    International Nuclear Information System (INIS)

    Kar'kin, A.E.; Naumov, S.V.; Goshchitskij, V.N.; Balbashov, A.M.

    2005-01-01

    The effect of neutron-bombardment-induced atomic disorder on the galvanomagnetic properties of Sr 2 RuO 4 single crystals has been experimentally studied in a broad range of temperatures (1.7-380 K) and magnetic fields (up to 13.6 T). The disorder leads to the appearance of negative temperature coefficients for both the in-plane electric resistivity (ρ a ) and that along the c axis (ρ c ), as well as the negative magnetoresistance Δρ, which is strongly anisotropic to the magnetic field orientation (H || a and H || c), with the easy magnetization direction along the c axis and a weak dependence on the probing current direction in the low-temperature region. The experimental ρ a (T) and ρ c (T) curves obtained for the initial and radiation-disordered samples can be described in the framework of a theoretical model with two conductivity channels. The first channel corresponds to the charge carriers with increased effective masses and predominantly electron-electron scattering, the second channel corresponds to the charge carriers with lower effective masses exhibiting magnetic scattering at low temperatures [ru

  10. Computational Study on M1/POM Single-Atom Catalysts (M = Cu, Zn, Ag, and Au; POM = [PW12O40]3-): Metal-Support Interactions and Catalytic Cycle for Alkene Epoxidation.

    Science.gov (United States)

    Liu, Chun-Guang; Jiang, Meng-Xu; Su, Zhong-Min

    2017-09-05

    Geometrical structures, metal-support interactions, and infrared (IR) spectroscopy of a series of M 1 /POM (M = Cu, Zn, Ag, and Au; POM = [PW 12 O 40 ] 3- ) single-atom catalysts (SACs), and catalytic cycle for alkene epoxidation catalyzed by M 1 /POM SACs were studied using density functional theory (DFT) calculations. The calculations demonstrate that the most probable anchoring sties for the isolated single atoms studied here in the M 1 /POM SACs are the fourfold hollow sites on the surface of POM support. The bonding interaction between single metal atom and surface of POM support comes from the molecular orbitals with a mixture of d atomic orbital of metal and 2p group orbital of surface oxygen atoms of POM cage. The calculated adsorption energy of isolated metal atoms in these M 1 /POM SACs indicates that the early transition metals (Cu and Zn) have high thermal stability. The DFT-derived IR spectra show that the four characteristic peaks of free Keggin-type POM structure split into six because of introduction of isolated metal atom. Compared with other metal atoms, the Zn 1 /POM SAC has the high reactivity for activity of dioxygen molecule, because the dioxygen moiety in Zn 1 /POM SAC displays O 2 - · radical feature with [POM 4- ·Zn 2+ O 2 - ·] 3- configuration. Finally, a catalytic cycle for ethylene epoxidation by O 2 catalyzed by Zn 1 /POM SAC was proposed based on our DFT calculations. Supported noble-metal SACs are among the most important catalysts currently. However, noble metals are expensive and of limited supply. Development of non-noble-metal SACs is of essential importance. Therefore, the reported Zn 1 /POM SAC would be very useful to guide the search for SACs into non-noble metals.

  11. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms

    DEFF Research Database (Denmark)

    Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K.

    2017-01-01

    A catalyst consisting of vanadium oxide submonolayers supported on rutile titanium dioxide is used for a variety of reactions. One important question is the difference between the activity of monomeric clusters (having one vanadium atom) and polymeric clusters (having more than one vanadium atom...

  12. Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems.

    Science.gov (United States)

    Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin; Kestell, John D; Boscoboinik, Alejandro M; Kim, Taejin; Stacchiola, Dario J; Lu, Deyu; Boscoboinik, J Anibal

    2017-07-17

    The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. In this work, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, the permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. These findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.

  13. Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems

    Science.gov (United States)

    Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin; Kestell, John D.; Boscoboinik, Alejandro M.; Kim, Taejin; Stacchiola, Dario J.; Lu, Deyu; Boscoboinik, J. Anibal

    2017-07-01

    The confinement of noble gases on nanostructured surfaces, in contrast to bulk materials, at non-cryogenic temperatures represents a formidable challenge. In this work, individual Ar atoms are trapped at 300 K in nano-cages consisting of (alumino)silicate hexagonal prisms forming a two-dimensional array on a planar surface. The trapping of Ar atoms is detected in situ using synchrotron-based ambient pressure X-ray photoelectron spectroscopy. The atoms remain in the cages upon heating to 400 K. The trapping and release of Ar is studied combining surface science methods and density functional theory calculations. While the frameworks stay intact with the inclusion of Ar atoms, the permeability of gasses (for example, CO) through them is significantly affected, making these structures also interesting candidates for tunable atomic and molecular sieves. These findings enable the study of individually confined noble gas atoms using surface science methods, opening up new opportunities for fundamental research.

  14. Functionalization of gold and nanocrystalline diamond atomic force microscope tips for single molecule force spectroscopy

    Science.gov (United States)

    Drew, Michael E.

    The atomic force microscope (AFM) has fueled interest in nanotechnology because of its ability to image surfaces at the nanometer level and act as a molecular force sensor. Functionalization of the surface of an AFM tip surface in a stable, controlled manner expands the capabilities of the AFM and enables additional applications in the fields of single molecule force spectroscopy and nanolithography. Two AFM tip functionalizations are described: the assembly of tripodal molecular tips onto gold AFM tips and the photochemical attachment of terminal alkenes to nanocrystalline diamond (NCD) AFM tips. Two separate tripodal molecules with different linker lengths and a monopodal molecule terminated with biotin were synthesized to attach to a gold AFM tip for single molecule force spectroscopy. The immobilization of these molecules was examined by contact angle measurements, spectroscopic ellipsometry, infrared, and near edge x-ray absorption fine structure (NEXAFS) spectroscopy. All three molecules displayed rupture forces that agreed with previously reported values for the biotin--avidin rupture. The tripodal molecular tip displayed narrower distribution in their force histograms than the monopodal molecular tip. The performance of the tripodal molecular tip was compared to the monopodal molecular tip in single molecule force spectroscopy studies. Over repeated measurements, the distribution of forces for the monopodal molecular tip shifted to lower forces, whereas the distribution for the tripodal molecular tip remained constant throughout. Loading rate dependence and control experiments further indicated that the rupture forces of the tripod molecular tips were specific to the biotin--NeutrAvidin interaction. The second functionalization method used the photochemical attachment of undecylenic acid to NCD AFM tips. The photochemical attachment of undecylenic acid to hydrogen-terminated NCD wafer surfaces was investigated by contact angle measurements, x

  15. A single atom-based generation of Bell states of two cavities

    OpenAIRE

    Messina, A.

    2002-01-01

    A new conditional scheme for generating Bell states of two spatially separated high-Q cavities is reported. Our method is based on the passage of one atom only through the two cavities. A distinctive feature of our treatment is that it incorporates from the very beginning the unavoidable presence of fluctuations in the atom-cavity interaction times. The possibility of successfully implementing our proposal against cavity losses and atomic spontaneous decay is carefully discussed.

  16. Single Cell Responses to Spatially Controlled Photosensitized Production of Extracellular Singlet Oxygen

    DEFF Research Database (Denmark)

    Pedersen, Brian Wett; Sinks, Louise E.; Breitenbach, Thomas

    2011-01-01

    The response of individual HeLa cells to extracellularly produced singlet oxygen was examined. The spatial domain of singlet oxygen production was controlled using the combination of a membrane-impermeable Pd porphyrin-dendrimer, which served as a photosensitizer, and a focused laser, which served...... to localize the sensitized production of singlet oxygen. Cells in close proximity to the domain of singlet oxygen production showed morphological changes commonly associated with necrotic cell death. The elapsed post-irradiation “waiting period” before necrosis became apparent depended on (a) the distance...... between the cell membrane and the domain irradiated, (b) the incident laser fluence and, as such, the initial concentration of singlet oxygen produced, and (c) the lifetime of singlet oxygen. The data imply that singlet oxygen plays a key role in this process of light-induced cell death. The approach...

  17. Acid-facilitated product release from a Mo(IV) center: relevance to oxygen atom transfer reactivity of molybdenum oxotransferases.

    Science.gov (United States)

    Li, Feifei; Talipov, Marat R; Dong, Chao; Bali, Sofia; Ding, Keying

    2018-03-01

    We report that pyridinium ions (HPyr + ) accelerate the conversion of [Tp*Mo IV OCl(OPMe 3 )] (1) to [Tp*Mo IV OCl(NCCH 3 )] (2) by 10 3 -fold, affording 2 in near-quantitative yield; Tp* = hydrotris(3,5-dimethyl-1-pyrazolyl)borate. This novel reactivity and the mechanism of this reaction were investigated in detail. The formation of 2 followed pseudo-first-order kinetics, with the observed pseudo-first-order rate constant (k obs ) linearly correlated with [HPyr + ]. An Eyring plot revealed that this HPyr + -facilitated reaction has a small positive value of ∆S ‡ indicative of a dissociative interchange (I d ) mechanism, different from the slower associative interchange (I a ) mechanism in the absence of HPyr + marked with a negative ∆S ‡ . Interestingly, log(k obs ) was found to be linearly correlated to the acidity of substituted pyridinium ions. This novel reactivity is further investigated using combined DFT and ab initio coupled cluster methods. Different reaction pathways, including I d , I a , and possible alternative routes in the absence or presence of HPyr + , were considered, and enthalpy and free energies were calculated for each pathway. Our computational results further underscored that the I d route is energetically favored in the presence of HPyr + , in contrast with the preferred I a -NNO pathway in the absence of HPyr + . Our computational results also revealed molecular-level details for the HPyr + -facilitated I d route. Specifically, HPyr + initially becomes hydrogen-bonded to the oxygen atom of the Mo(IV)-OPMe 3 moiety, which lowers the activation barrier for the Mo-OPMe 3 bond cleavage in a rate-limiting step to dissociate the OPMe 3 product. The implications of our results were discussed in the context of molybdoenzymes, particularly the reductive half-reaction of sulfite oxidase.

  18. Redox-inactive metal ions promoted the catalytic reactivity of non-heme manganese complexes towards oxygen atom transfer.

    Science.gov (United States)

    Choe, Cholho; Yang, Ling; Lv, Zhanao; Mo, Wanling; Chen, Zhuqi; Li, Guangxin; Yin, Guochuan

    2015-05-21

    Redox-inactive metal ions can modulate the reactivity of redox-active metal ions in a variety of biological and chemical oxidations. Many synthetic models have been developed to help address the elusive roles of these redox-inactive metal ions. Using a non-heme manganese(II) complex as the model, the influence of redox-inactive metal ions as a Lewis acid on its catalytic efficiency in oxygen atom transfer was investigated. In the absence of redox-inactive metal ions, the manganese(II) catalyst is very sluggish, for example, in cyclooctene epoxidation, providing only 9.9% conversion with 4.1% yield of epoxide. However, addition of 2 equiv. of Al(3+) to the manganese(II) catalyst sharply improves the epoxidation, providing up to 97.8% conversion with 91.4% yield of epoxide. EPR studies of the manganese(II) catalyst in the presence of an oxidant reveal a 16-line hyperfine structure centered at g = 2.0, clearly indicating the formation of a mixed valent di-μ-oxo-bridged diamond core, Mn(III)-(μ-O)2-Mn(IV). The presence of a Lewis acid like Al(3+) causes the dissociation of this diamond Mn(III)-(μ-O)2-Mn(IV) core to form monomeric manganese(iv) species which is responsible for improved epoxidation efficiency. This promotional effect has also been observed in other manganese complexes bearing various non-heme ligands. The findings presented here have provided a promising strategy to explore the catalytic reactivity of some di-μ-oxo-bridged complexes by adding non-redox metal ions to in situ dissociate those dimeric cores and may also provide clues to understand the mechanism of methane monooxygenase which has a similar diiron diamond core as the intermediate.

  19. On the relationship between the population of the fine structure levels of the ground electronic state of atomic oxygen and the translational temperature

    Science.gov (United States)

    Sharma, R.; Zygelman, B.; von Esse, F.; Dalgarno, A.

    1994-08-01

    Using a recent calculation of the cross sections for fine structure changing collisions during an encounter between two oxygen atoms in the ground electronic state, we determine the population of the fine structure levels of oxygen as a function of altitude for four model atmospheres representing conditions at 0 deg longitude, 45 deg latitude, at midday and midnight, and high and low solar and geomagnetic activity. We include the effect of electron impacts. The fine structure levels are shown to be in local thermodynamic equilibrium (LTE) at the local neutral atom translational temperature for altitudes up to 350 km and 400 km for midnight and midday, respectively, at low activity, and up to at least 600 km at high activity. At higher altitudes spotaneous emission causes deviation from LTE and overpopulates the lowest (J = 2) level at the expense of the other two levels.

  20. Single transition metal atom embedded into a MoS2nanosheet as a promising catalyst for electrochemical ammonia synthesis.

    Science.gov (United States)

    Zhao, Jia; Zhao, Jingxiang; Cai, Qinghai

    2018-03-21

    The electrochemical reduction of N2 to NH3 (NRR) under ambient conditions is significant for sustainable agriculture. Here, by means of density functional theory (DFT) computations, the potential of a series of single transition metal (TM) atoms embedded into a MoS2 monolayer with an S-vacancy (TM/MoS2) as electrocatalysts for NRR was systematically investigated. Our DFT results revealed that among all these considered candidate catalysts, the single Mo atom embedded into the MoS2 nanosheet was found to be the most active catalyst for NRR with an onset potential of -0.53 V, in which the hydrogenation of the adsorbed N2* to N2H* is the potential-determining step. The high stabilization of the N2H* species is responsible for the superior performance of the embedded Mo atom for the NRR, which is well consistent with its d-band center. Our findings may facilitate the further design of single-atom electrocatalysts with high efficiency for NH3 synthesis at room temperature.

  1. Confined-interface-directed synthesis of Palladium single-atom catalysts on graphene/amorphous carbon

    DEFF Research Database (Denmark)

    Xi, Jiangbo; Sun, Hongyu; Zhang, Zheye

    2018-01-01

    The maximized atomic efficiency of supported catalysts is highly desired in heterogeneous catalysis. Therefore, the design and development of active, stable, and atomic metal-based catalysts remains a formidable challenge. To tackle these problems, it is necessary to investigate the interaction b...

  2. Magnetism, Spin Texture, and In-Gap States: Atomic Specialization at the Surface of Oxygen-Deficient SrTiO_{3}.

    Science.gov (United States)

    Altmeyer, Michaela; Jeschke, Harald O; Hijano-Cubelos, Oliver; Martins, Cyril; Lechermann, Frank; Koepernik, Klaus; Santander-Syro, Andrés F; Rozenberg, Marcelo J; Valentí, Roser; Gabay, Marc

    2016-04-15

    Motivated by recent spin- and angular-resolved photoemission (SARPES) measurements of the two-dimensional electronic states confined near the (001) surface of oxygen-deficient SrTiO_{3}, we explore their spin structure by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic nonmagnetic DFT calculations display Rashba-like spin winding with a splitting of a few meV and when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ∼100  meV at the Γ point, consistent with SARPES findings. While magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. Furthermore, we observe an atomic specialization phenomenon, namely, two types of electronic contributions: one is from Ti atoms neighboring the oxygen vacancies that acquire rather large magnetic moments and mostly create in-gap states; another comes from the partly polarized t_{2g} itinerant electrons of Ti atoms lying further away from the oxygen vacancy, which form the two-dimensional electron system and are responsible for the Rashba spin winding and the spin splitting at the Fermi surface.

  3. A practical theoretical formalism for atomic multielectron processes: direct multiple ionization by a single auger decay or by impact of a single electron or photon

    Science.gov (United States)

    Liu, Pengfei; Zeng, Jiaolong; Yuan, Jianmin

    2018-04-01

    Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. Direct multielectron processes (DMEP) are the most complicated among the general multiple electron processes and are the most difficult to describe theoretically. In this work, a unified and accurate theoretical formalism is proposed on the DMEP of atoms including the multiple auger decay and multiple ionization by an impact of a single electron or a single photon based on the atomic collision theory described by a correlated many-body Green's function. Such a practical treatment is made possible by taking consideration of the different coherence features of the atoms (matter waves) in the initial and final states. We first explain how the coherence characteristics of the ejected continuum electrons is largely destructed, by taking the electron impact direct double ionization process as an example. The direct double ionization process is completely different from the single ionization where the complete interference can be maintained. The detailed expressions are obtained for the energy correlations among the continuum electrons and energy resolved differential and integral cross sections according to the separation of knock-out (KO) and shake-off (SO) mechanisms for the electron impact direct double ionization, direct double and triple auger decay, and double and triple photoionization (TPI) processes. Extension to higher order DMEP than triple ionization is straight forward by adding contributions of the following KO and SO processes. The approach is applied to investigate the electron impact double ionization processes of C+, N+, and O+, the direct double and triple auger decay of the K-shell excited states of C+ 1s2{s}22{p}2{}2D and {}2P, and the double and TPI of lithium. Comparisons with the experimental and other theoretical investigations wherever available in the literature show that our

  4. Controlling Hydrogen Activation, Spillover, and Desorption with Pd-Au Single-Atom Alloys.

    Science.gov (United States)

    Lucci, Felicia R; Darby, Matthew T; Mattera, Michael F G; Ivimey, Christopher J; Therrien, Andrew J; Michaelides, Angelos; Stamatakis, Michail; Sykes, E Charles H

    2016-02-04

    Key descriptors in hydrogenation catalysis are the nature of the active sites for H2 activation and the adsorption strength of H atoms to the surface. Using atomically resolved model systems of dilute Pd-Au surface alloys and density functional theory calculations, we determine key aspects of H2 activation, diffusion, and desorption. Pd monomers in a Au(111) surface catalyze the dissociative adsorption of H2 at temperatures as low as 85 K, a process previously expected to require contiguous Pd sites. H atoms preside at the Pd sites and desorb at temperatures significantly lower than those from pure Pd (175 versus 310 K). This facile H2 activation and weak adsorption of H atom intermediates are key requirements for active and selective hydrogenations. We also demonstrate weak adsorption of CO, a common catalyst poison, which is sufficient to force H atoms to spill over from Pd to Au sites, as evidenced by low-temperature H2 desorption.

  5. Correlated motion of two atoms trapped in a single-mode cavity field

    International Nuclear Information System (INIS)

    Asboth, Janos K.; Domokos, Peter; Ritsch, Helmut

    2004-01-01

    We study the motion of two atoms trapped at distant positions in the field of a driven standing-wave high-Q optical resonator. Even without any direct atom-atom interaction the atoms are coupled through their position dependent influence on the intracavity field. For sufficiently good trapping and low cavity losses the atomic motion becomes significantly correlated and the two particles oscillate in their wells preferentially with a 90 deg. relative phase shift. The onset of correlations seriously limits cavity cooling efficiency, raising the achievable temperature to the Doppler limit. The physical origin of the correlation can be traced back to a cavity mediated crossfriction, i.e., a friction force on one particle depending on the velocity of the second particle. Choosing appropriate operating conditions allows for engineering these long range correlations. In addition this cross-friction effect can provide a basis for sympathetic cooling of distant trapped clouds

  6. Improved method for Mica functionalization used in single molecule imaging of DNA with atomic force microscopy

    Directory of Open Access Journals (Sweden)

    Hana Zapletalová

    2016-07-01

    Full Text Available The modified procedure of 1-(3-aminopropylsilatrane (APS compound synthesis based on a new derivative (3‑aminopropyltrimethoxysilane for the purpose of DNA immobilization for AFM single imaging is described. New reaction pathway based on kinetically driven reaction approach is described. Necessity of two‑step purification process is proved; ability of purified APS to provide four times smoother surfaces in comparison with a crude product is demonstrated. Various analytical methods such mass spectroscopy and 1H NMR were used to show structure and enhanced purity of the APS product. APS mediates fixation of DNA molecules to mica substrates to be used for DNA imaging under Atomic Force Microscope. The use of an APS compound for simple and rapid silanization of mica surface is demonstrated. The advantages of APS‑based method are based mainly on low roughness of modified mica and homogeneous surface coverage by short sequence dsDNA (246 bp. The product obtained by the condensation reaction was purified in a two step process whose effectiveness was demonstrated not only by reduction of the silanized surface roughness, but also by mass spectroscopy (MS‑ESi, MALDI‑TOF method and proton magnetic resonance spectroscopy. Experiments demonstrate that 1‑(3‑aminopropylsilatrane can be used to fix dsDNA molecules to a mica surface to be visualized by either the tapping mode or the force‑volume mode of AFM microscopy, as demonstrated by experiments. Moreover, necessity of advanced purification protocol is demonstrated by AFM based roughness measurements – pure vs crude APS product. The kinetics of APS‑layer aging, caused by silicon oxide growth on silanized layers, was studied by water contact angle measurements and is discussed.

  7. Effective and Durable Co Single Atomic Cocatalysts for Photocatalytic Hydrogen Production.

    Science.gov (United States)

    Zhao, Qi; Yao, Weifeng; Huang, Cunping; Wu, Qiang; Xu, Qunjie

    2017-12-13

    This research reports for the first time that single cobalt atoms anchored in nitrogen-doped graphene (Co-NG) can serve as a highly effective and durable cocatalyst for visible light photocatalytic hydrogen production from water. Results show that, under identical conditions, the hydrogen production rate (1382 μmol/h) for 0.25 wt % Co-NG-loaded CdS photocatalyst (0.25 wt % Co-NG/CdS) is 3.42 times greater than that of nitrogen-doped graphene (NG) loaded CdS photocatalyst (NG/CdS) and about 1.3 times greater than the greatest hydrogen production rate (1077 μmol/h) for 1.5 wt % Pt nanoparticle loaded CdS photocatalyst (1.5 wt % Pt-NPs/CdS). At 420 nm irradiation, the quantum efficiency of the 0.25 wt % Co-NG/CdS photocatalyst is 50.5%, the highest efficiency among those literature-reported non-noble metal cocatalysts. The Co-NG/CdS nanocomposite-based photocatalyst also has an extended durability. No activity decline was detected during three cyclic photocatalytic life span tests. The very low cocatalyst loading, along with the facile preparation technology for this non-noble metal cocatalyst, will significantly reduce the hydrogen production costs and finally lead to the commercialization of the solar catalytic hydrogen production process. Based on experimental results, we conclude that Co-NG can successfully replace noble metal cocatalysts as a highly effective and durable cocatalyst for renewable solar hydrogen production. This finding will point to a new way for the development of highly effective, long life span, non-noble metal-based cocatalysts for renewable and cost-effective hydrogen production.

  8. Studies of single walled carbon nanotubes for biomedical, mechanical and electrical applications using atomic force microscopy

    Science.gov (United States)

    Lahiji, Roya Roientan

    The promise of carbon nanotubes to provide high-strength composites implies that carbon nanotubes might find widespread use throughout the world, implying that humans everywhere will be exposed to carbon nanotube-containing materials. In order to study what effects if any carbon nanotubes might have on the function of living cells, we have studied the association of single stranded DNA (ssDNA) with single wall carbon nanotubes (SWCNTs) as a first step toward understanding the interaction of SWCNTs with living matter. Studies have been performed on both as-received and chemically oxidized SWCNTs to better understand the preferential association of ssDNA with SWCNTs. Samples of T30 ssDNA:SWCNT were examined under ambient conditions using non-contact Atomic Force Microscopy (AFM)) techniques. AFM images of well-dispersed, as-received SWCNTs revealed isolated features on the SWCNT that are 1.4 to 2.8 nm higher than the bare SWCNT itself. X-ray Photoemission Spectroscopy (XPS) confirmed these features to be T30 ssDNA in nature. Chemically oxidizing SWCNTs before dispersion by sonication is found to be an effective way to increase the number of T30 ssDNA features. A series of experiments showed that free radical scavengers such as ascorbic acid and trolox can effectively prevent the conjugation of ssDNA to SWCNTs, suggesting a significant role of free radicals in this association. Also hybridization of the complimentary ssDNA sequences showed the covalent nature of this association. These results are important to understanding the precise mechanism of ssDNA:SWCNT association and provide valuable information for future use in electronics, biosensors and as a possible drug carrier into individual cells. If SWCNTs are used in biosensor or circuit design applications then it is important to note how much energy can be stored in a SWCNT based on its shape and configuration before a permanent damage is introduced to it. Therefore a study has been done on bending SWCNTs into

  9. The effect of topological defects and oxygen adsorption on the electronic transport properties of single-walled carbon-nanotubes

    International Nuclear Information System (INIS)

    Grujicic, M.; Cao, G.; Singh, R.

    2003-01-01

    Ab initio density functional theory (DFT) calculations of the interactions between isolated infinitely-long semiconducting zig-zag (10, 0) or isolated infinitely-long metallic arm-chair (5, 5) single-walled carbon-nanotubes (SWCNTs) and single oxygen-molecules are carried out in order to determine the character of molecular-oxygen adsorption and its effect on electronic transport properties of these SWCNTs. A Green's function method combined with a nearest-neighbor tight-binding Hamiltonian in a non-orthogonal basis is used to compute the electrical conductance of SWCNTs and its dependence on the presence of topological defects in SWCNTs and of molecular-oxygen adsorbates. The computational results obtained show that in both semiconducting and metallic SWCNTs, oxygen-molecules are physisorbed to the defect-free nanotube walls, but when such walls contain topological defects, oxygen-molecules become strongly chemisorbed. In semiconducting (10, 0) SWCNTs, physisorbed O 2 -molecules are found to significantly increase electrical conductance while the effect of 7-5-5-7 defects is practically annulled by chemisorbed O 2 -molecules. In metallic (5, 5) SWCNTs, both O 2 adsorbates and 7-5-5-7 defects are found to have a relatively small effect on electrical conductance of these nanotubes

  10. Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit.

    Science.gov (United States)

    Lucci, Felicia R; Liu, Jilei; Marcinkowski, Matthew D; Yang, Ming; Allard, Lawrence F; Flytzani-Stephanopoulos, Maria; Sykes, E Charles H

    2015-10-09

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One promising approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum-copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C-C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with butadiene hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions.

  11. Selective hydrogenation of 1,3-butadiene on platinum–copper alloys at the single-atom limit

    Science.gov (United States)

    Lucci, Felicia R.; Liu, Jilei; Marcinkowski, Matthew D.; Yang, Ming; Allard, Lawrence F.; Flytzani-Stephanopoulos, Maria; Sykes, E. Charles H.

    2015-01-01

    Platinum is ubiquitous in the production sectors of chemicals and fuels; however, its scarcity in nature and high price will limit future proliferation of platinum-catalysed reactions. One promising approach to conserve platinum involves understanding the smallest number of platinum atoms needed to catalyse a reaction, then designing catalysts with the minimal platinum ensembles. Here we design and test a new generation of platinum–copper nanoparticle catalysts for the selective hydrogenation of 1,3-butadiene,, an industrially important reaction. Isolated platinum atom geometries enable hydrogen activation and spillover but are incapable of C–C bond scission that leads to loss of selectivity and catalyst deactivation. γ-Alumina-supported single-atom alloy nanoparticle catalysts with hydrogenation to butenes under mild conditions, demonstrating transferability from the model study to the catalytic reaction under practical conditions. PMID:26449766

  12. Photosensitized production of singlet oxygen: spatially-resolved optical studies in single cells

    DEFF Research Database (Denmark)

    Breitenbach, Thomas; Kuimova, Marina; Gbur, Peter

    2009-01-01

    be monitored using viability assays. Time- and spatially-resolved optical measurements of both singlet oxygen and its precursor, the excited state sensitizer, reflect the complex and dynamic morphology of the cell. These experiments help elucidate photoinduced, oxygen-dependent events that compromise cell...

  13. Tunable reactivity of supported single metal atoms by impurity engineering of the MgO(001) support.

    Science.gov (United States)

    Pašti, Igor A; Johansson, Börje; Skorodumova, Natalia V

    2018-02-28

    Development of novel materials may often require a rational use of high price components, like noble metals, in combination with the possibility to tune their properties in a desirable way. Here we present a theoretical DFT study of Au and Pd single atoms supported by doped MgO(001). By introducing B, C and N impurities into the MgO(001) surface, the interaction between the surface and the supported metal adatoms can be adjusted. Impurity atoms act as strong binding sites for Au and Pd adatoms and can help to produce highly dispersed metal particles. The reactivity of metal atoms supported by doped MgO(001), as probed by CO, is altered compared to their counterparts on pristine MgO(001). We find that Pd atoms on doped MgO(001) are less reactive than on perfect MgO(001). In contrast, Au adatoms bind CO much more strongly when placed on doped MgO(001). In the case of Au on N-doped MgO(001) we find that charge redistribution between the metal atom and impurity takes place even when not in direct contact, which enhances the interaction of Au with CO. The presented results suggest possible ways for optimizing the reactivity of oxide supported metal catalysts through impurity engineering.

  14. About vortex-like atomic motion in a loaded single crystal

    Science.gov (United States)

    Dmitriev, A. I.; Nikonov, A. Yu.

    2017-12-01

    The paper presents a molecular dynamics study of internal stress and atomic displacement redistributions in a preliminary loaded solid. The study demonstrates the possibility of self-organized vortices as dynamic defects of typical size 1-5 nm due to atomic motion in the elastic region at the stage of relaxation. The simulation results agree well with experimental data on strain localization in elastic distortion regions which gives rise to nanodipoles of partial disclinations.

  15. Circuit-quantum electrodynamics with direct magnetic coupling to single-atom spin qubits in isotopically enriched 28Si

    Directory of Open Access Journals (Sweden)

    Guilherme Tosi

    2014-08-01

    Full Text Available Recent advances in silicon nanofabrication have allowed the manipulation of spin qubits that are extremely isolated from noise sources, being therefore the semiconductor equivalent of single atoms in vacuum. We investigate the possibility of directly coupling an electron spin qubit to a superconducting resonator magnetic vacuum field. By using resonators modified to increase the vacuum magnetic field at the qubit location, and isotopically purified 28Si substrates, it is possible to achieve coupling rates faster than the single spin dephasing. This opens up new avenues for circuit-quantum electrodynamics with spins, and provides a pathway for dispersive read-out of spin qubits via superconducting resonators.

  16. Matrix-isolation studies on the radiation-induced chemistry in H₂O/CO₂ systems: reactions of oxygen atoms and formation of HOCO radical.

    Science.gov (United States)

    Ryazantsev, Sergey V; Feldman, Vladimir I

    2015-03-19

    The radiation-induced transformations occurring upon X-ray irradiation of solid CO2/H2O/Ng systems (Ng = Ar, Kr, Xe) at 8-10 K and subsequent annealing up to 45 K were studied by Fourier transform infrared spectroscopy. The infrared (IR) spectra of deposited matrices revealed the presence of isolated monomers, dimers, and intermolecular H2O···CO2 complexes. Irradiation resulted in effective decomposition of matrix-isolated carbon dioxide and water yielding CO molecules and OH radicals, respectively. Annealing of the irradiated samples led to formation of O3, HO2, and a number of xenon hydrides of HXeY type (in the case of xenon matrices). The formation of these species was used for monitoring of the postirradiation thermally induced chemical reactions involving O and H atoms generated by radiolysis. It was shown that the radiolysis of CO2 in noble-gas matrices produced high yields of stabilized oxygen atoms. In all cases, the temperatures at which O atoms become mobile and react are lower than those of H atoms. Dynamics and reactivity of oxygen atoms was found to be independent of the precursor nature. In addition, the formation of HOCO radicals was observed in all the noble-gas matrices at remarkably low temperatures. The IR spectra of HOCO and DOCO were first characterized in krypton and xenon matrices. It was concluded that the formation of HOCO was mainly due to the radiation-induced evolution of the weakly bound H2O···CO2 complexes. This result indicates the significance of weak intermolecular interactions in the radiation-induced chemical processes in inert low-temperature media.

  17. Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO2.

    Science.gov (United States)

    DeRita, Leo; Dai, Sheng; Lopez-Zepeda, Kimberly; Pham, Nicholas; Graham, George W; Pan, Xiaoqing; Christopher, Phillip

    2017-10-11

    Oxide-supported precious metal nanoparticles are widely used industrial catalysts. Due to expense and rarity, developing synthetic protocols that reduce precious metal nanoparticle size and stabilize dispersed species is essential. Supported atomically dispersed, single precious metal atoms represent the most efficient metal utilization geometry, although debate regarding the catalytic activity of supported single precious atom species has arisen from difficulty in synthesizing homogeneous and stable single atom dispersions, and a lack of site-specific characterization approaches. We propose a catalyst architecture and characterization approach to overcome these limitations, by depositing ∼1 precious metal atom per support particle and characterizing structures by correlating scanning transmission electron microscopy imaging and CO probe molecule infrared spectroscopy. This is demonstrated for Pt supported on anatase TiO 2 . In these structures, isolated Pt atoms, Pt iso , remain stable through various conditions, and spectroscopic evidence suggests Pt iso species exist in homogeneous local environments. Comparing Pt iso to ∼1 nm preoxidized (Pt ox ) and prereduced (Pt metal ) Pt clusters on TiO 2 , we identify unique spectroscopic signatures of CO bound to each site and find CO adsorption energy is ordered: Pt iso ≪ Pt metal atoms bonded to TiO 2 and that Pt iso exhibits optimal reactivity because every atom is exposed for catalysis and forms an interfacial site with TiO 2 . This approach should be generally useful for studying the behavior of supported precious metal atoms.

  18. Solar light-induced production of reactive oxygen species by single walled carbon nanotubes in water

    Science.gov (United States)

    Photosensitizing processes of engineered nanomaterials (ENMs) which include photo-induced production of reactive oxygen species (ROS) convert light energy into oxidizing chemical energy that mediates transformations of nanomaterials. The oxidative stress associated with ROS may p...

  19. Pulmonary Oxygen Toxicity with Exercise: Single MK 25 Rebreather Dives or Split 6-Hour Exposures

    Science.gov (United States)

    2007-10-01

    pressure (PO2) adds possible local effects of oxygen on lung tissue and systemic toxic effects throughout the body. Previous work at Navy Experimental Diving...and may include elastic and additional hydrostatic loading. The MK 25 (Draeger LAR V) 100% oxygen rebreather has a chest-mounted rebreathing bag...ammunition. Compressed air release simulated recoil . A pseudorandom sequence of reflective targets was presented to the subject over two minutes, and

  20. Quasifree (p , 2 p ) Reactions on Oxygen Isotopes: Observation of Isospin Independence of the Reduced Single-Particle Strength

    Science.gov (United States)

    Atar, L.; Paschalis, S.; Barbieri, C.; Bertulani, C. A.; Díaz Fernández, P.; Holl, M.; Najafi, M. A.; Panin, V.; Alvarez-Pol, H.; Aumann, T.; Avdeichikov, V.; Beceiro-Novo, S.; Bemmerer, D.; Benlliure, J.; Boillos, J. M.; Boretzky, K.; Borge, M. J. G.; Caamaño, M.; Caesar, C.; Casarejos, E.; Catford, W.; Cederkall, J.; Chartier, M.; Chulkov, L.; Cortina-Gil, D.; Cravo, E.; Crespo, R.; Dillmann, I.; Elekes, Z.; Enders, J.; Ershova, O.; Estrade, A.; Farinon, F.; Fraile, L. M.; Freer, M.; Galaviz Redondo, D.; Geissel, H.; Gernhäuser, R.; Golubev, P.; Göbel, K.; Hagdahl, J.; Heftrich, T.; Heil, M.; Heine, M.; Heinz, A.; Henriques, A.; Hufnagel, A.; Ignatov, A.; Johansson, H. T.; Jonson, B.; Kahlbow, J.; Kalantar-Nayestanaki, N.; Kanungo, R.; Kelic-Heil, A.; Knyazev, A.; Kröll, T.; Kurz, N.; Labiche, M.; Langer, C.; Le Bleis, T.; Lemmon, R.; Lindberg, S.; Machado, J.; Marganiec-Gałązka, J.; Movsesyan, A.; Nacher, E.; Nikolskii, E. Y.; Nilsson, T.; Nociforo, C.; Perea, A.; Petri, M.; Pietri, S.; Plag, R.; Reifarth, R.; Ribeiro, G.; Rigollet, C.; Rossi, D. M.; Röder, M.; Savran, D.; Scheit, H.; Simon, H.; Sorlin, O.; Syndikus, I.; Taylor, J. T.; Tengblad, O.; Thies, R.; Togano, Y.; Vandebrouck, M.; Velho, P.; Volkov, V.; Wagner, A.; Wamers, F.; Weick, H.; Wheldon, C.; Wilson, G. L.; Winfield, J. S.; Woods, P.; Yakorev, D.; Zhukov, M.; Zilges, A.; Zuber, K.; R3B Collaboration

    2018-01-01

    Quasifree one-proton knockout reactions have been employed in inverse kinematics for a systematic study of the structure of stable and exotic oxygen isotopes at the R3B /LAND setup with incident beam energies in the range of 300 - 450 MeV /u . The oxygen isotopic chain offers a large variation of separation energies that allows for a quantitative understanding of single-particle strength with changing isospin asymmetry. Quasifree knockout reactions provide a complementary approach to intermediate-energy one-nucleon removal reactions. Inclusive cross sections for quasifree knockout reactions of the type O A (p ,2 p )N-1A have been determined and compared to calculations based on the eikonal reaction theory. The reduction factors for the single-particle strength with respect to the independent-particle model were obtained and compared to state-of-the-art ab initio predictions. The results do not show any significant dependence on proton-neutron asymmetry.

  1. Inducing magnetism in pure organic molecules by single magnetic atom doping.

    Science.gov (United States)

    Iancu, Violeta; Braun, Kai-Felix; Schouteden, Koen; Van Haesendonck, Chris

    2014-09-05

    We report on in situ chemical reactions between an organic trimesic acid (TMA) ligand and a Co atom center. By varying the substrate temperature, we are able to explore the Co-TMA interactions and create novel magnetic complexes that preserve the chemical structure of the ligands. Using scanning tunneling microscopy and spectroscopy combined with density functional theory calculations, we elucidate the structure and the properties of the newly synthesized complex at atomic or molecular size level. Hybridization between the atomic orbitals of the Co and the π orbitals of the ligand results in a delocalized spin distribution onto the TMA. The here demonstrated possibility to conveniently magnetize such versatile molecules opens up new potential applications for TMAs in molecular spintronics.

  2. Ultrafast terahertz control of extreme tunnel currents through single atoms on a silicon surface

    DEFF Research Database (Denmark)

    Jelic, Vedran; Iwaszczuk, Krzysztof; Nguyen, Peter H.

    2017-01-01

    Ultrafast control of current on the atomic scale is essential for future innovations in nanoelectronics. Extremely localized transient electric fields on the nanoscale can be achieved by coupling picosecond duration terahertz pulses to metallic nanostructures. Here, we demonstrate terahertz...... scanning tunnelling microscopy (THz-STM) in ultrahigh vacuum as a new platform for exploring ultrafast non-equilibrium tunnelling dynamics with atomic precision. Extreme terahertz-pulse-driven tunnel currents up to 10(7) times larger than steady-state currents in conventional STM are used to image...... individual atoms on a silicon surface with 0.3nm spatial resolution. At terahertz frequencies, the metallic-like Si(111)-(7 x 7) surface is unable to screen the electric field from the bulk, resulting in a terahertz tunnel conductance that is fundamentally different than that of the steady state. Ultrafast...

  3. Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations.

    Science.gov (United States)

    Xie, Hujun; Liu, Chengcheng; Yuan, Ying; Zhou, Tao; Fan, Ting; Lei, Qunfang; Fang, Wenjun

    2016-01-21

    The mechanisms for the oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives (Cp* = η(5)-C5Me5) by nitrous oxide via selective oxygen atom transfer reactions have been systematically studied by means of density functional theory (DFT) calculations. On the basis of the calculations, we investigated the original mechanism proposed by Hillhouse and co-workers for the activation of N2O. The calculations showed that the complex with an initial O-coordination of N2O to the coordinatively unsaturated Hf center is not a local minimum. Then we proposed a new reaction mechanism to investigate how N2O is activated and why N2O selectively oxidize phenyl and hydride ligands of . Frontier molecular orbital theory analysis indicates that N2O is activated by nucleophilic attack by the phenyl or hydride ligand. Present calculations provide new insights into the activation of N2O involving the direct oxygen atom transfer from nitrous oxide to metal-ligand bonds instead of the generally observed oxygen abstraction reaction to generate metal-oxo species.

  4. An Unusual Strong Visible-Light Absorption Band in Red Anatase TiO2 Photocatalyst Induced by Atomic Hydrogen-Occupied Oxygen Vacancies.

    Science.gov (United States)

    Yang, Yongqiang; Yin, Li-Chang; Gong, Yue; Niu, Ping; Wang, Jian-Qiang; Gu, Lin; Chen, Xingqiu; Liu, Gang; Wang, Lianzhou; Cheng, Hui-Ming

    2018-02-01

    Increasing visible light absorption of classic wide-bandgap photocatalysts like TiO 2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry of these photocatalysts is essential to narrow their bandgap for a strong visible-light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail-like absorption band in hydrogen-free oxygen-deficient TiO 2 , an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO 2 by intentionally introducing atomic hydrogen-mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo-electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide-bandgap semiconductors to fully capture solar light. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. The shape of oxygen abundance profiles explored with MUSE: evidence for widespread deviations from single gradients

    Science.gov (United States)

    Sánchez-Menguiano, L.; Sánchez, S. F.; Pérez, I.; Ruiz-Lara, T.; Galbany, L.; Anderson, J. P.; Krühler, T.; Kuncarayakti, H.; Lyman, J. D.

    2018-02-01

    We characterised the oxygen abundance radial distribution of a sample of 102 spiral galaxies observed with VLT/MUSE using the O3N2 calibrator. The high spatial resolution of the data allowed us to detect 14345 H II regions with the same image quality as with photometric data, avoiding any dilution effect. We developed a new methodology to automatically fit the abundance radial profiles, finding that 55 galaxies of the sample exhibit a single negative gradient. The remaining 47 galaxies also display, as well as this negative trend, either an inner drop in the abundances (21), an outer flattening (10), or both (16), which suggests that these features are a common property of disc galaxies. The presence and depth of the inner drop depends on the stellar mass of the galaxies with the most massive systems presenting the deepest abundance drops, while there is no such dependence in the case of the outer flattening. We find that the inner drop appears always around 0.5 re, while the position of the outer flattening varies over a wide range of galactocentric distances. Regarding the main negative gradient, we find a characteristic slope in the sample of αO/H =-0.10 ± 0.03 dex /re. This slope is independent of the presence of bars and the density of the environment. However, when inner drops or outer flattenings are detected, slightly steeper gradients are observed. This suggests that radial motions might play an important role in shaping the abundance profiles. We define a new normalisation scale ("the abundance scale length", rO/H) for the radial profiles based on the characteristic abundance gradient, with which all the galaxies show a similar position for the inner drop ( 0.5 rO/H) and the outer flattening ( 1.5 rO/H). Finally, we find no significant dependence of the dispersion around the negative gradient with any property of the galaxies, with values compatible with the uncertainties associated with the derivation of the abundances.

  6. 3D Late Gadolinium Enhancement in a Single Prolonged Breath-hold using Supplemental Oxygenation and Hyperventilation

    Science.gov (United States)

    Roujol, Sébastien; Basha, Tamer A.; Akçakaya, Mehmet; Foppa, Murilo; Chan, Raymond H.; Kissinger, Kraig V.; Goddu, Beth; Berg, Sophie; Manning, Warren J.; Nezafat, Reza

    2013-01-01

    Purpose: To evaluate the feasibility of 3D single breath-hold late gadolinium enhancement (LGE) of the left ventricle (LV) using supplemental oxygen and hyperventilation and compressed-sensing acceleration. Methods: Breath-hold metrics (breath-hold duration, diaphragmatic/LV position drift, and maximum variation of RR interval) without and with supplemental oxygen and hyperventilation were assessed in healthy adult subjects using a real time single shot acquisition. Ten healthy subjects and 13 patients then underwent assessment of the proposed 3D breath-hold LGE acquisition (FOV=320×320×100 mm3, resolution=1.6×1.6×5.0 mm3, acceleration rate of 4) and a free breathing acquisition with right hemidiaphragm navigator (NAV) respiratory gating. Semi-quantitative grading of overall image quality, motion artifact, myocardial nulling, and diagnostic value was performed by consensus of two blinded observers. Results: Supplemental oxygenation and hyperventilation increased the breath-hold duration (35±11 s to 58±21 s, p0.01). LGE images were of similar quality when compared to free breathing acquisitions but with reduced total scan time (85±22 s to 35±6 s, pbreath-holding and enable single breath-hold 3D accelerated LGE with similar image quality as free breathing with NAV. PMID:24186772

  7. One-step formation of a single atomic-layer transistor by the selective fluorination of a graphene film.

    Science.gov (United States)

    Ho, Kuan-I; Liao, Jia-Hong; Huang, Chi-Hsien; Hsu, Chang-Lung; Zhang, Wenjing; Lu, Ang-Yu; Li, Lain-Jong; Lai, Chao-Sung; Su, Ching-Yuan

    2014-03-12

    In this study, the scalable and one-step fabrication of single atomic-layer transistors is demonstrated by the selective fluorination of graphene using a low-damage CF4 plasma treatment, where the generated F-radicals preferentially fluorinated the graphene at low temperature (semiconductor/insulator can be directly formed in a single layer of graphene using a one-step fluorination process by introducing a Au thin-film as a buffer layer. With this heterojunction structure, it would be possible to fabricate transistors in a single graphene film via a one-step fluorination process, in which pristine graphene, partial F-graphene, and highly F-graphene serve as the source/drain contacts, the channel, and the channel isolation in a transistor, respectively. The demonstrated graphene transistor exhibits an on-off ratio above 10, which is 3-fold higher than that of devices made from pristine graphene. This efficient transistor fabrication method produces electrical heterojunctions of graphene over a large area and with selective patterning, providing the potential for the integration of electronics down to the single atomic-layer scale. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Atomic mechanism for the growth of wafer-scale single-crystal graphene: theoretical perspective and scanning tunneling microscopy investigations

    Science.gov (United States)

    Niu, Tianchao; Zhang, Jialin; Chen, Wei

    2017-12-01

    Chemical vapor deposition (CVD) is the most promising approach for producing low-cost, high-quality, and large area graphene. Revealing the graphene growth mechanism at the atomic-scale is of great importance for realizing single crystal graphene (SCG) over wafer scale. Density functional theoretical (DFT) calculations are playing an increasingly important role in revealing the structure of the most stable carbon species, understanding the evolution processes, and disclosing the active sites. Scanning tunneling microscopy (STM) is a powerful surface characterization tool to illustrate the real space distribution and atomic structures of growth intermediates during the CVD process. Combining them together can provide valuable information to improve the atomically controlled growth of SCG. Starting from a basic concept of the substrate effect on realizing SCG, this review covers the progress made in theoretical investigations on various carbon species during graphene growth on different transition metal substrates, in the STM study of the structural intermediates on transition metal surfaces, and in synthesizing graphene nanoribbons with atomic-precise width and edge structure, ending with a perspective on the future development of 2D materials beyond graphene.

  9. Single-resonance optical pumping spectroscopy and application in dressed-state measurement with atomic vapor cell at room temperature.

    Science.gov (United States)

    Liang, Qiangbing; Yang, Baodong; Zhang, Tiancai; Wang, Junmin

    2010-06-21

    By monitoring the transmission of probe laser beam (also served as coupling laser beam) which is locked to a cycling hyperfine transition of cesium D(2) line, while pumping laser is scanned across cesium D(1) or D(2) lines, the single-resonance optical pumping (SROP) spectra are obtained with atomic vapor cell. The SROP spectra indicate the variation of the zero-velocity atoms population of one hyperfine fold of ground state, which is optically pumped into another hyperfine fold of ground state by pumping laser. With the virtue of Doppler-free linewidth, high signal-to-noise ratio (SNR), flat background and elimination of crossover resonance lines (CRLs), the SROP spectra with atomic vapor cell around room temperature can be employed to measure dressed-state splitting of ground state, which is normally detected with laser-cooled atomic sample only, even if the dressed-state splitting is much smaller than the Doppler-broaden linewidth at room temperature.

  10. Influence of the oxygen concentration of atomic-layer-deposited HfO2 films on the dielectric property and interface trap density

    Science.gov (United States)

    Park, Jaehoo; Cho, Moonju; Kim, Seong Keun; Park, Tae Joo; Lee, Suk Woo; Hong, Sug Hun; Hwang, Cheol Seong

    2005-03-01

    The influence of the ozone concentration (160-370g/m3) during atomic layer deposition of HfO2-gate dielectrics on the dielectric performance of the films grown on Si was studied. Although ozone was effective in reducing the impurity concentration in the film compared to H2O, the higher concentration slightly deteriorated the dielectric performance. More importantly, the degradation in the interface trap property with increasing post-annealing temperature became more serious as the ozone concentration increased. Investigation of the interface states using x-ray photoelectron spectroscopy revealed that the excessive oxygen incorporated during the film growth made the interfacial sub-oxide species (SiO, Si2O3, and silicate) and SiO2 coordinate more with oxygen. This increased the interface trap density and degraded the interface properties.

  11. The entanglement of two moving atoms interacting with a single-mode field via a three-photon process

    International Nuclear Information System (INIS)

    Chao, Wu; Mao-Fa, Fang

    2010-01-01

    In this paper, the entanglement of two moving atoms induced by a single-mode field via a three-photon process is investigated. It is shown that the entanglement is dependent on the category of the field, the average photon number N, the number p of half-wave lengths of the field mode and the atomic initial state. Also, the sudden death and the sudden birth of the entanglement are detected in this model and the results show that the existence of the sudden death and the sudden birth depends on the parameter and the category of the mode field. In addition, the three-photon process is a higher order nonlinear process. (general)

  12. Precision measurement of single atoms strongly coupled to the higher-order transverse modes of a high-finesse optical cavity

    Energy Technology Data Exchange (ETDEWEB)

    Du, Jinjin; Li, Wenfang; Wen, Ruijuan; Li, Gang; Zhang, Pengfei; Zhang, Tiancai [State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Opto-Electronics, Shanxi University, Taiyuan 030006 (China)

    2013-08-19

    We have experimentally demonstrated the strong coupling between single atoms and the higher-order Hermite-Gaussian transverse modes in a high-finesse optical microcavity. Compared to the usual low-order symmetric transverse modes, multiple lobes and the asymmetric spatial pattern of the titled modes provide more information about the motion of single atoms in the cavity. The motional information can be extracted from the measured transmission spectra, which includes the velocities and the positions of the atoms in vertical and off-axis directions. The scheme has great potential in time-resolved atom-cavity microscopy and in tracking the three-dimensional single atom trajectory in real time.

  13. High resolution imaging of superficial mosaicity in single crystals using grazing incidence fast atom diffraction

    Science.gov (United States)

    Lalmi, B.; Khemliche, H.; Momeni, A.; Soulisse, P.; Roncin, P.

    2012-11-01

    A new table top technique is used to simultaneously analyze the local morphology of crystalline surfaces as well as the misalignment of large scale domains at the topmost surface layer. The approach is based on fast atom diffraction at grazing incidence (GIFAD); the diffraction pattern yields the structural characteristics and the topology of the surface electronic density with atomic resolution. If superficial mosaicity is present, diffraction patterns arising from each mosaic domain can be distinguished, providing high sensitivity to the properties of each of the domains. Taking NaCl(001) as an example, we observe a discrete tilt angle distribution of the mosaic domains following an arithmetic progression with a 0.025° ± 0.005° difference; a twist mosaic angle of 0.09° ± 0.01° is also observed.

  14. Multiparametric atomic force microscopy imaging of single bacteriophages extruding from living bacteria

    Science.gov (United States)

    Alsteens, David; Trabelsi, Heykel; Soumillion, Patrice; Dufrêne, Yves F.

    2013-12-01

    Force-distance (FD) curve-based atomic force microscopy is a valuable tool to simultaneously image the structure and map the biophysical properties of biological samples at the nanoscale. Traditionally, FD-based atomic force microscopy has been severely limited by its poor temporal and lateral resolutions. Here we report the use of advanced FD-based technology combined with biochemically sensitive tips to image filamentous bacteriophages extruding from living bacteria at unprecedented speed and resolution. Directly correlated multiparametric images of the structure, adhesion and elasticity of infected bacteria demonstrate that the sites of assembly and extrusion localize at the bacterial septum in the form of soft nanodomains surrounded by stiff cell wall material. The quantitative nano-bio-imaging method presented here offers a wealth of opportunities for mapping the physical properties and molecular interactions of complex biosystems, from viruses to tissues.

  15. Temperature effects on the atomic structure and kinetics in single crystal electrochemistry

    Energy Technology Data Exchange (ETDEWEB)

    Gründer, Yvonne; Markovic, Nenad M.; Thompson, Paul; Lucas, Christopher A.

    2015-01-01

    The influence of temperature on the atomic structure at the electrochemical interface has been studied using in-situ surface x-ray scattering (SXS) during the formation of metal monolayers on a Au(111) electrode. For the surface reconstruction of Au(111), higher temperatures increase the mobility of surface atoms in the unreconstructed phase which then determines the surface ordering during the formation of the reconstruction. For the underpotential deposition (UPD) systems, the surface diffusion of the depositing metal adatoms is significantly reduced at low temperatures which results in the frustration of ordered structures in the case of Cu UPD, occurring on a Br-modified surface, and in the formation of a disordered Ag monolayer during Ag UPD. The results indicate that temperature changes affect the mass transport and diffusion of metal adatoms on the electrode surface. This demonstrates the importance of including temperature as a variable in studying surface structure and reactions at the electrochemical interface.

  16. Direct Atomic Force Microscopy Observation of DNA Tile Crystal Growth at the Single-Molecule Level

    OpenAIRE

    Evans, Constantine G.; Hariadi, Rizal F.; Winfree, Erik

    2012-01-01

    While the theoretical implications of models of DNA tile self-assembly have been extensively researched and such models have been used to design DNA tile systems for use in experiments, there has been little research testing the fundamental assumptions of those models. In this paper, we use direct observation of individual tile attachments and detachments of two DNA tile systems on a mica surface imaged with an atomic force microscope (AFM) to compile statistics of tile attachments and detach...

  17. Reconstructive surgery for male stress urinary incontinence: Experiences using the ATOMS system at a single center

    Directory of Open Access Journals (Sweden)

    Krause, Jens

    2014-12-01

    Full Text Available Objective: To propose possible success-driven solutions for problem and complication rates encountered with the ATOMS sling system, based on first-hand experience; and to provide possible actual alternative scenarios for the treatment of male . Patients and methods: During the defined period (between 4/2010 and 04/2014, 36 patients received ATOMS system implants at our clinic. We collected pre- and post-operative evaluation data using the International Consultation on Incontinence Questionnaire Short Form (ICIQ SF. As an expansion of the questionnaire, we added questions about post-operative perineal pain, the general satisfaction with the results of the intervention and willingness to recommend the operation to a best friend. Results: Our data shows a relatively high explantation rate, but a surprisingly high patient satisfaction rate. Explantation was required mainly due to late onset infections or other symptomatic factors. Compared to other studies early onset infections were rare. Conclusion: A non-invasive, uncomplicated adjustable system to alleviate male stress urinary incontinence remains a challenge. Although there are various systems available for the treatment of male stress urinary incontinence, it seems that despite the advantages of the ATOMS system, an artificial sphincter system may pose more advantages based on our experience, understanding and knowledge of its well-documented long-term solutions and problems.

  18. Spectroscopic ellipsometric investigation of clean and oxygen covered copper single crystal surfaces

    NARCIS (Netherlands)

    Hanekamp, L.J.; Lisowski, W.F.; Bootsma, G.A.

    1982-01-01

    Spectroscopic ellipsometric measurements (400–820 nm) have been performed on clean and oxygen covered Cu(110) and Cu(111) surfaces in an AES-LEED UHV system. The complex dielectric functions of the clean surfaces were calculated from measurements between room temperature and 600 K. In contrast with

  19. Experimental Elucidation of the Oxygen Reduction Volcano in Base on a Pt Alloy Single Crystal

    DEFF Research Database (Denmark)

    Jensen, Kim Degn; Tymoczko, Jakub; Bandarenka, Aliaksandr S.

    2016-01-01

    It is of fundamental importance to understand the factors controlling trends in activity for electrocatalytic reactions as a function of pH. In the case of the oxygen reduction reaction, numerous reports suggest significant divergences between noble metals surface catalytic performances in acid...

  20. Probing adsorption phenomena on a single crystal Pt-alloy surface under oxygen reduction reaction conditions

    DEFF Research Database (Denmark)

    Bondarenko, Alexander S.; Stephens, Ifan E.L.; Bech, Lone

    2012-01-01

    The adsorption dynamics of *OH and *O species at Pt(111) and Cu/Pt(111) near-surface alloy (NSA) surfaces in oxygen-free and O2-saturated 0.1M HClO4 was investigated. Subsurface Cu modifies the electronic structure at the Pt(111) surface resulting in weaker bonding to adsorbates like *OH, *H or *...