Ultrafast electron microscopy in materials science, biology, and chemistry

International Nuclear Information System (INIS)

King, Wayne E.; Campbell, Geoffrey H.; Frank, Alan; Reed, Bryan; Schmerge, John F.; Siwick, Bradley J.; Stuart, Brent C.; Weber, Peter M.

2005-01-01

The use of pump-probe experiments to study complex transient events has been an area of significant interest in materials science, biology, and chemistry. While the emphasis has been on laser pump with laser probe and laser pump with x-ray probe experiments, there is a significant and growing interest in using electrons as probes. Early experiments used electrons for gas-phase diffraction of photostimulated chemical reactions. More recently, scientists are beginning to explore phenomena in the solid state such as phase transformations, twinning, solid-state chemical reactions, radiation damage, and shock propagation. This review focuses on the emerging area of ultrafast electron microscopy (UEM), which comprises ultrafast electron diffraction (UED) and dynamic transmission electron microscopy (DTEM). The topics that are treated include the following: (1) The physics of electrons as an ultrafast probe. This encompasses the propagation dynamics of the electrons (space-charge effect, Child's law, Boersch effect) and extends to relativistic effects. (2) The anatomy of UED and DTEM instruments. This includes discussions of the photoactivated electron gun (also known as photogun or photoelectron gun) at conventional energies (60-200 keV) and extends to MeV beams generated by rf guns. Another critical aspect of the systems is the electron detector. Charge-coupled device cameras and microchannel-plate-based cameras are compared and contrasted. The effect of various physical phenomena on detective quantum efficiency is discussed. (3) Practical aspects of operation. This includes determination of time zero, measurement of pulse-length, and strategies for pulse compression. (4) Current and potential applications in materials science, biology, and chemistry. UEM has the potential to make a significant impact in future science and technology. Understanding of reaction pathways of complex transient phenomena in materials science, biology, and chemistry will provide fundamental

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

Science.gov (United States)

Domingo, Luis R

2016-09-30

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Fabrication and electronic transport studies of single nanocrystal systems

Energy Technology Data Exchange (ETDEWEB)

Klein, David Louis [Univ. of California, Berkeley, CA (United States). Dept. of Physics

1997-05-01

Semiconductor and metallic nanocrystals exhibit interesting electronic transport behavior as a result of electrostatic and quantum mechanical confinement effects. These effects can be studied to learn about the nature of electronic states in these systems. This thesis describes several techniques for the electronic study of nanocrystals. The primary focus is the development of novel methods to attach leads to prefabricated nanocrystals. This is because, while nanocrystals can be readily synthesized from a variety of materials with excellent size control, means to make electrical contact to these nanocrystals are limited. The first approach that will be described uses scanning probe microscopy to first image and then electrically probe surfaces. It is found that electronic investigations of nanocrystals by this technique are complicated by tip-sample interactions and environmental factors such as salvation and capillary forces. Next, an atomic force microscope technique for the catalytic patterning of the surface of a self assembled monolayer is described. In principle, this nano-fabrication technique can be used to create electronic devices which are based upon complex arrangements of nanocrystals. Finally, the fabrication and electrical characterization of a nanocrystal-based single electron transistor is presented. This device is fabricated using a hybrid scheme which combines electron beam lithography and wet chemistry to bind single nanocrystals in tunneling contact between closely spaced metallic leads. In these devices, both Au and CdSe nanocrystals show Coulomb blockade effects with characteristic energies of several tens of meV. Additional structure is seen the transport behavior of CdSe nanocrystals as a result of its electronic structure.

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Directory of Open Access Journals (Sweden)

Luis R. Domingo

2016-09-01

Full Text Available A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT, is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT, the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

OpenAIRE

Luis R. Domingo

2016-01-01

A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through ...

Dissolution chemistry and biocompatibility of single-crystalline silicon nanomembranes and associated materials for transient electronics.

Science.gov (United States)

Hwang, Suk-Won; Park, Gayoung; Edwards, Chris; Corbin, Elise A; Kang, Seung-Kyun; Cheng, Huanyu; Song, Jun-Kyul; Kim, Jae-Hwan; Yu, Sooyoun; Ng, Joanne; Lee, Jung Eun; Kim, Jiyoung; Yee, Cassian; Bhaduri, Basanta; Su, Yewang; Omennetto, Fiorenzo G; Huang, Yonggang; Bashir, Rashid; Goddard, Lynford; Popescu, Gabriel; Lee, Kyung-Mi; Rogers, John A

2014-06-24

Single-crystalline silicon nanomembranes (Si NMs) represent a critically important class of material for high-performance forms of electronics that are capable of complete, controlled dissolution when immersed in water and/or biofluids, sometimes referred to as a type of "transient" electronics. The results reported here include the kinetics of hydrolysis of Si NMs in biofluids and various aqueous solutions through a range of relevant pH values, ionic concentrations and temperatures, and dependence on dopant types and concentrations. In vitro and in vivo investigations of Si NMs and other transient electronic materials demonstrate biocompatibility and bioresorption, thereby suggesting potential for envisioned applications in active, biodegradable electronic implants.

Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

Science.gov (United States)

Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

Evidence for single metal two electron oxidative addition and reductive elimination at uranium.

Science.gov (United States)

Gardner, Benedict M; Kefalidis, Christos E; Lu, Erli; Patel, Dipti; McInnes, Eric J L; Tuna, Floriana; Wooles, Ashley J; Maron, Laurent; Liddle, Stephen T

2017-12-01

Reversible single-metal two-electron oxidative addition and reductive elimination are common fundamental reactions for transition metals that underpin major catalytic transformations. However, these reactions have never been observed together in the f-block because these metals exhibit irreversible one- or multi-electron oxidation or reduction reactions. Here we report that azobenzene oxidises sterically and electronically unsaturated uranium(III) complexes to afford a uranium(V)-imido complex in a reaction that satisfies all criteria of a single-metal two-electron oxidative addition. Thermolysis of this complex promotes extrusion of azobenzene, where H-/D-isotopic labelling finds no isotopomer cross-over and the non-reactivity of a nitrene-trap suggests that nitrenes are not generated and thus a reductive elimination has occurred. Though not optimally balanced in this case, this work presents evidence that classical d-block redox chemistry can be performed reversibly by f-block metals, and that uranium can thus mimic elementary transition metal reactivity, which may lead to the discovery of new f-block catalysis.

Single-electron charging effects

International Nuclear Information System (INIS)

Ruggiero, S.T.

1990-01-01

The status of our project on single-electron tunneling is at this point excellent. As outlined in our original proposal, a key goal in the development of this project was the demonstration and exploration of the microwave properties of single-electron systems. As discussed here, such work has to date been carried out

Single-electron charging effects

International Nuclear Information System (INIS)

Ruggiero, S.T.

1991-01-01

The status of our project on single-electron tunneling is, again, excellent. As outlined in our original proposal, a key goal in the development of this project was the demonstration and exploration of the microwave properties of single-electron system. As discussed in this paper such work has to data been carried out. Also as discussed in our previous progress report, the next step in the experimental evolution of the project will be to use lithographically-defined small dots as capacitors as outlined in our proposal. At this point we have made such microdotsdots as will be discussed. We have also continued our work with metal droplets to form single-electron tunnel systems

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Science.gov (United States)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Energy Technology Data Exchange (ETDEWEB)

Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

Sensing single electrons with single molecules

International Nuclear Information System (INIS)

Plakhotnik, Taras

2007-01-01

We propose a new methodology for probing transport of just one electron, a process of great importance both in nature and in artificial devices. Our idea for locating a single electron is analogues to the conventional GPS where signals from several satellites are used to locate a macro object. Using fluorescent molecules as tiny sensors, it is possible to determine 3D displacement vector of an electron

Precise measurement of a subpicosecond electron single bunch by the femtosecond streak camera

International Nuclear Information System (INIS)

Uesaka, M.; Ueda, T.; Kozawa, T.; Kobayashi, T.

1998-01-01

Precise measurement of a subpicosecond electron single bunch by the femtosecond streak camera is presented. The subpicosecond electron single bunch of energy 35 MeV was generated by the achromatic magnetic pulse compressor at the S-band linear accelerator of nuclear engineering research laboratory (NERL), University of Tokyo. The electric charge per bunch and beam size are 0.5 nC and the horizontal and vertical beam sizes are 3.3 and 5.5 mm (full width at half maximum; FWHM), respectively. Pulse shape of the electron single bunch is measured via Cherenkov radiation emitted in air by the femtosecond streak camera. Optical parameters of the optical measurement system were optimized based on much experiment and numerical analysis in order to achieve a subpicosecond time resolution. By using the optimized optical measurement system, the subpicosecond pulse shape, its variation for the differents rf phases in the accelerating tube, the jitter of the total system and the correlation between measured streak images and calculated longitudinal phase space distributions were precisely evaluated. This measurement system is going to be utilized in several subpicosecond analyses for radiation physics and chemistry. (orig.)

Design of an electronic performance support system for food chemistry laboratory classes

NARCIS (Netherlands)

Kolk, van der J.

2013-01-01

The design oriented research described in this thesis aims at designing an realizing an electronic performance support system for food chemistry laboratory classes (labEPSS). Four design goals related to food chemistry laboratory classes were identified. Firstly, labEPSS should avoid extraneous

Single Molecule Electronics and Devices

Science.gov (United States)

Tsutsui, Makusu; Taniguchi, Masateru

2012-01-01

The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule. PMID:22969345

From trace chemistry to single atom chemistry

International Nuclear Information System (INIS)

Adloff, J.P.

1993-01-01

Hot atom chemistry in the vast majority of experimental works deals with the trace amount of radioactive matters. Accordingly, the concept of trace chemistry is at the heart of hot atom chemistry. Some aspects of the chemistry at trace scale and at subtrace scale are presented together with the related problems of speciation and the complication which may arise due to the formation of radio colloids. The examples of 127 I(n,γ) 128 I and 132 Te (β - ) 132 I are shown, and the method based on radioactivity was used. The procedure of separating the elements in pitchblende is shown as the example of the chemistry of traces. 13 27 Al+ 2 4 He→ 0 1 n+ 15 30 P and 15 30 P→ 14 30 Si+e + +V are shown, and how to recognize the presence of radioactive colloids is explained. The formation of radiocolloids is by the sorption of a trace radioelement on pre-existing colloidal impurity or the self-condensation of monomeric species. The temporal parameters of the nature of reactions at trace concentration are listed. The examples of Class A and Class B reactions are shown. The kinetics of reactions at trace level, radon concentration, anthropogenic Pu and natural Pu in environment, the behavior of Pu atoms and so on are described. (K.I.)

Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry.

Science.gov (United States)

Pham, Van Dong; Repain, Vincent; Chacon, Cyril; Bellec, Amandine; Girard, Yann; Rousset, Sylvie; Abad, Enrique; Dappe, Yannick J; Smogunov, Alexander; Lagoute, Jérôme

2017-11-28

The ability to trap adatoms with an organic molecule on a surface has been used to obtain a range of molecular functionalities controlled by the choice of the molecular trapping site and local deprotonation. The tetraphenylporphyrin molecule used in this study contains three types of trapping sites: two carbon rings (phenyl and pyrrole) and the center of a macrocycle. Catching a gold adatom on the carbon rings leads to an electronic doping of the molecule, whereas trapping the adatom at the macrocycle center with single deprotonation leads to a molecular rotor and a second deprotonation leads to a molecular jumper. We call "atom trapping chemistry" the control of the structure, electronic, and dynamical properties of a molecule achieved by trapping metallic atoms with a molecule on a surface. In addition to the examples previously described, we show that more complex structures can be envisaged.

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.

Single Molecule Spectroscopy in Chemistry, Physics and Biology Nobel Symposium

CERN Document Server

Gräslund, Astrid; Widengren, Jerker

2010-01-01

Written by the leading experts in the field, this book describes the development and current state-of-the-art in single molecule spectroscopy. The application of this technique, which started 1989, in physics, chemistry and biosciences is displayed.

Electron spin interactions in chemistry and biology fundamentals, methods, reactions mechanisms, magnetic phenomena, structure investigation

CERN Document Server

Likhtenshtein, Gertz

2016-01-01

This book presents the versatile and pivotal role of electron spin interactions in nature. It provides the background, methodologies and tools for basic areas related to spin interactions, such as spin chemistry and biology, electron transfer, light energy conversion, photochemistry, radical reactions, magneto-chemistry and magneto-biology. The book also includes an overview of designing advanced magnetic materials, optical and spintronic devices and photo catalysts. This monograph appeals to scientists and graduate students working in the areas related to spin interactions physics, biophysics, chemistry and chemical engineering.

Large-scale separation of single-walled carbon nanotubes by electronic type using click chemistry

Science.gov (United States)

Um, Jo-Eun; Song, Sun Gu; Yoo, Pil J.; Song, Changsik; Kim, Woo-Jae

2018-01-01

Single-walled carbon nanotubes (SWCNTs) can be either metallic or semiconducting, making their separation critical for applications in nanoelectronics, biomedical materials, and solar cells. Herein, we investigate a novel solution-phase separation method based on click chemistry (azide-alkyne Huisgen cycloaddition) and determine its efficiency and scalability. In this method, metallic SWCNTs in metallic/semiconducting SWCNT mixtures are selectively functionalized with alkyne groups by being reacted with 4-propargyloxybenezenediazonium tetrafluoroborate. Subsequently, silica nanoparticles are functionalized with azide groups and reacted with alkyne-bearing metallic SWCNTs in the SWCNT mixture in the presence of a Cu catalyst. As a result, metallic SWCNTs are anchored on silica powder, whereas non-functionalized semiconducting SWCNTs remain in solution. Low-speed centrifugation effectively removes the silica powder with attached metallic SWCNTs, furnishing a solution of highly pure semiconducting SWCNTs, as confirmed by Raman and UV-vis/near-infrared absorption measurements. This novel separation scheme exhibits the advantage of simultaneously separating both metallic and semiconducting SWCNTs from their mixtures, being cost-effective and therefore applicable at an industrial scale.

Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics.

Science.gov (United States)

Ischenko, Anatoly A; Weber, Peter M; Miller, R J Dwayne

2017-08-23

One of the grand challenges in chemistry has been to directly observe atomic motions during chemical processes. The depiction of the nuclear configurations in space-time to understand barrier crossing events has served as a unifying intellectual theme connecting the different disciplines of chemistry. This challenge has been cast as an imaging problem in which the technical issues reduce to achieving not only sufficient simultaneous space-time resolution but also brightness for sufficient image contrast to capture the atomic motions. This objective has been met with electrons as the imaging source. The review chronicles the first use of electron structural probes to study reactive intermediates, to the development of high bunch charge electron pulses with sufficient combined spatial-temporal resolution and intensity to literally light up atomic motions, as well as the means to characterize the electron pulses in terms of temporal brightness and image reconstruction. The use of femtosecond Rydberg spectroscopy as a novel means to use internal electron scattering within the molecular reference frame to obtain similar information on reaction dynamics is also discussed. The focus is on atomically resolved chemical reaction dynamics with pertinent references to work in other areas and forms of spectroscopy that provide additional information. Effectively, we can now directly observe the far-from-equilibrium atomic motions involved in barrier crossing and categorize chemistry in terms of a power spectrum of a few dominant reaction modes. It is this reduction in dimensionality that makes chemical reaction mechanisms transferrable to seemingly arbitrarily complex (large N) systems, up to molecules as large as biological macromolecules (N > 1000 atoms). We now have a new way to reformulate reaction mechanisms using an experimentally determined dynamic mode basis that in combination with recent theoretical advances has the potential to lead to a new conceptual basis for

Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry.

Science.gov (United States)

Zhang, Peng; Yuly, Jonathon L; Lubner, Carolyn E; Mulder, David W; King, Paul W; Peters, John W; Beratan, David N

2017-09-19

How can proteins drive two electrons from a redox active donor onto two acceptors at very different potentials and distances? And how can this transaction be conducted without dissipating very much energy or violating the laws of thermodynamics? Nature appears to have addressed these challenges by coupling thermodynamically uphill and downhill electron transfer reactions, using two-electron donor cofactors that have very different potentials for the removal of the first and second electron. Although electron bifurcation is carried out with near perfection from the standpoint of energy conservation and electron delivery yields, it is a biological energy transduction paradigm that has only come into focus recently. This Account provides an exegesis of the biophysical principles that underpin electron bifurcation. Remarkably, bifurcating electron transfer (ET) proteins typically send one electron uphill and one electron downhill by similar energies, such that the overall reaction is spontaneous, but not profligate. Electron bifurcation in the NADH-dependent reduced ferredoxin: NADP + oxidoreductase I (Nfn) is explored in detail here. Recent experimental progress in understanding the structure and function of Nfn allows us to dissect its workings in the framework of modern ET theory. The first electron that leaves the two-electron donor flavin (L-FAD) executes a positive free energy "uphill" reaction, and the departure of this electron switches on a second thermodynamically spontaneous ET reaction from the flavin along a second pathway that moves electrons in the opposite direction and at a very different potential. The singly reduced ET products formed from the bifurcating flavin are more than two nanometers distant from each other. In Nfn, the second electron to leave the flavin is much more reducing than the first: the potentials are said to be "crossed." The eventually reduced cofactors, NADH and ferredoxin in the case of Nfn, perform crucial downstream redox

Single Molecule Spectroscopy of Electron Transfer

International Nuclear Information System (INIS)

Holman, Michael; Zang, Ling; Liu, Ruchuan; Adams, David M.

2009-01-01

The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

Electron Transfer in Chemistry and Biology - The Primary Events in ...

Indian Academy of Sciences (India)

transfers, occurs in a cascade in many biological processes, including photosynthesis. ... the model reactions of photosynthetic ... biological relevance. GENERAL I ARTICLE of electrons, respectively. This has entirely changed the earlier framework of interpreting reactions in chemistry and biology. This shift in emphasis ...

Picosecond, single pulse electron linear accelerator

International Nuclear Information System (INIS)

Kikuchi, Riichi; Kawanishi, Masaharu

1979-01-01

The picosecond, single pulse electron linear accelerators, are described, which were installed in the Nuclear Engineering Laboratory of the University of Tokyo and in the Nuclear Radiation Laboratory of the Osaka University. The purpose of the picosecond, single pulse electron linear accelerators is to investigate the very short time reaction of the substances, into which gamma ray or electron beam enters. When the electrons in substances receive radiation energy, the electrons get high kinetic energy, and the energy and the electric charge shift, at last to the quasi-stable state. This transient state can be experimented with these special accelerators very accurately, during picoseconds, raising the accuracy of the time of incidence of radiation and also raising the accuracy of observation time. The outline of these picosecond, single pulse electron linear accelerators of the University of Tokyo and the Osaka University, including the history, the systems and components and the output beam characteristics, are explained. For example, the maximum energy 30 -- 35 MeV, the peak current 1 -- 8 n C, the pulse width 18 -- 40 ps, the pulse repetition rate 200 -- 720 pps, the energy spectrum 1 -- 1.8% and the output beam diameter 2 -- 5 mm are shown as the output beam characteristics of the accelerators in both universities. The investigations utilizing the picosecond single pulse electron linear accelerators, such as the investigation of short life excitation state by pulsed radiation, the dosimetry study of pulsed radiation, and the investigation of the transforming mechanism and the development of the transforming technology from picosecond, single pulse electron beam to X ray, vacuum ultraviolet ray and visual ray, are described. (Nakai, Y.)

Electron Transfer in Chemistry and Biology – The Primary Events

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 12. Electron Transfer in Chemistry and Biology – The Primary Events in Photosynthesis. V Krishnan. General Article Volume 2 Issue 12 December 1997 pp 77-86. Fulltext. Click here to view fulltext PDF. Permanent link:

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

Science.gov (United States)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Non-linear phenomena in electronic systems consisting of coupled single-electron oscillators

International Nuclear Information System (INIS)

Kikombo, Andrew Kilinga; Hirose, Tetsuya; Asai, Tetsuya; Amemiya, Yoshihito

2008-01-01

This paper describes non-linear dynamics of electronic systems consisting of single-electron oscillators. A single-electron oscillator is a circuit made up of a tunneling junction and a resistor, and produces simple relaxation oscillation. Coupled with another, single electron oscillators exhibit complex behavior described by a combination of continuous differential equations and discrete difference equations. Computer simulation shows that a double-oscillator system consisting of two coupled oscillators produces multi-periodic oscillation with a single attractor, and that a quadruple-oscillator system consisting of four oscillators also produces multi-periodic oscillation but has a number of possible attractors and takes one of them determined by initial conditions

A high efficiency superconducting nanowire single electron detector

NARCIS (Netherlands)

Rosticher, M.; Ladan, F.R.; Maneval, J.P.; Dorenbos, S.N.; Zijlstra, T.; Klapwijk, T.M.; Zwiller, V.; Lupa?cu, A.; Nogues, G.

2010-01-01

We report the detection of single electrons using a Nb0.7Ti0.3N superconducting wire deposited on an oxidized silicon substrate. While it is known that this device is sensitive to single photons, we show that it also detects single electrons with kilo-electron-volt energy emitted from the cathode of

Single-electron tunneling in InP nanowires

NARCIS (Netherlands)

Franceschi, De S.; Dam, Van J.A.; Bakkers, E.P.A.M.; Feiner, L.F.; Gurevich, L.; Kouwenhoven, L.P.

2003-01-01

A study was performed on single-electron tunneling in InP nanowires. The contact resistances as low as ~10 k¿, with minor temperature dependence were obtained. The Coulomb-blockade behavior was shown with single-electron charging energies of ~1 meV.

Radiation chemistry

International Nuclear Information System (INIS)

Rodgers, F.; Rodgers, M.A.

1987-01-01

The contents of this book include: Interaction of ionizing radiation with matter; Primary products in radiation chemistry; Theoretical aspects of radiation chemistry; Theories of the solvated electron; The radiation chemistry of gases; Radiation chemistry of colloidal aggregates; Radiation chemistry of the alkali halides; Radiation chemistry of polymers; Radiation chemistry of biopolymers; Radiation processing and sterilization; and Compound index

Single-electron quantum tomography in quantum Hall edge channels

International Nuclear Information System (INIS)

Grenier, Ch; Degiovanni, P; Herve, R; Bocquillon, E; Parmentier, F D; Placais, B; Berroir, J M; Feve, G

2011-01-01

We propose a quantum tomography protocol to measure single-electron coherence in quantum Hall edge channels, and therefore access for the first time the wavefunction of single-electron excitations propagating in ballistic quantum conductors. Its implementation would open the way to quantitative studies of single-electron decoherence and would provide a quantitative tool for analyzing single- to few-electron sources. We show how this protocol could be implemented using ultrahigh-sensitivity noise measurement schemes.

Giant current fluctuations in an overheated single-electron transistor

NARCIS (Netherlands)

Laakso, M.A.; Heikkilä, T.T.; Nazarov, Y.V.

2010-01-01

Interplay of cotunneling and single-electron tunneling in a thermally isolated single-electron transistor leads to peculiar overheating effects. In particular, there is an interesting crossover interval where the competition between cotunneling and single-electron tunneling changes to the dominance

Third International Electronic Conference on Medicinal Chemistry (ECMC-3

Directory of Open Access Journals (Sweden)

Annie Mayence

2018-02-01

Full Text Available The third International Electronic Conference on Medicinal Chemistry, organized and sponsored by MDPI AG, publisher, and the journal Pharmaceuticals, took place in November 2017 on the SciForum website (www.sciforum.net/conference/ecmc-3. Around 300 authors from 34 different countries participated at the event, which hosted more than 70 presentations, keynotes, videos, and posters. A short description of some works presented during that scientific meeting is disclosed in this report.

Macroscopic charge quantization in single-electron devices

NARCIS (Netherlands)

Burmistrov, I.S.; Pruisken, A.M.M.

2010-01-01

In a recent paper by the authors [I. S. Burmistrov and A. M. M. Pruisken, Phys. Rev. Lett. 101, 056801 (2008)] it was shown that single-electron devices (single-electron transistor or SET) display "macroscopic charge quantization" which is completely analogous to the quantum Hall effect observed on

Application of positron annihilation induced auger electron spectroscopy to the study of surface chemistry

International Nuclear Information System (INIS)

Weiss, A.H.; Yang, G.; Nangia, A.; Kim, J.H.; Fazleev, N.G.

1996-01-01

Positron annihilation induced Auger Electron Spectroscopy (PAES), makes use a beam of low energy positrons to excite Auger transitions by annihilating core electrons. This novel mechanism provides PAES with a number of unique features which distinguishes it from other methods of surface analysis. In PAES the very large collisionally induced secondary electron background which is present under the low energy Auger peaks using conventional techniques can be eliminated by using a positron beam whose energy is below the range of Auger electron energies. In addition, PAES is more surface selective than conventional Auger Spectroscopy because the PAES signal originates almost exclusively from the topmost atomic layer due to the fact that the positrons annihilating with the core electrons are trapped in an image correlation well just outside the surface. In this paper, recent applications of Positron Annihilation Induced Auger Electron Spectroscopy (PAES) to the study of surface structure and surface chemistry will be discussed including studies of the growth, alloying and inter-diffusion of ultrathin layers of metals, metals on semiconductors, and semiconductors on semiconductors. In addition, the possibilities for future application of PAES to the study of catalysis and surface chemistry will be outlined. (author)

Marcus wins nobel prize in chemistry for electron transfer theory

International Nuclear Information System (INIS)

Levi, B.G.

1993-01-01

This article describes the work of Rudolf Marcus of Caltech leading to his receipt of the 1992 Nobel Prize in Chemistry open-quotes for his contributions to the theory of electron transfer reactions in chemical systems.close quotes Applications of Marcus' theory include such diverse phenomena as photosynthesis, electrically conducting polymers, chemiluminescence, and corrosion. Historical aspects of his career are given. 10 refs., 1 fig

Current status and future perspectives of electron interactions with molecules, clusters, surfaces, and interfaces [Workshop on Fundamental challenges in electron-driven chemistry; Workshop on Electron-driven processes: Scientific challenges and technological opportunities

Energy Technology Data Exchange (ETDEWEB)

Becker, Kurt H.; McCurdy, C. William; Orlando, Thomas M.; Rescigno, Thomas N.

2000-09-01

This report is based largely on presentations and discussions at two workshops and contributions from workshop participants. The workshop on Fundamental Challenges in Electron-Driven Chemistry was held in Berkeley, October 9-10, 1998, and addressed questions regarding theory, computation, and simulation. The workshop on Electron-Driven Processes: Scientific Challenges and Technological Opportunities was held at Stevens Institute of Technology, March 16-17, 2000, and focused largely on experiments. Electron-molecule and electron-atom collisions initiate and drive almost all the relevant chemical processes associated with radiation chemistry, environmental chemistry, stability of waste repositories, plasma-enhanced chemical vapor deposition, plasma processing of materials for microelectronic devices and other applications, and novel light sources for research purposes (e.g. excimer lamps in the extreme ultraviolet) and in everyday lighting applications. The life sciences are a rapidly advancing field where the important role of electron-driven processes is only now beginning to be recognized. Many of the applications of electron-initiated chemical processes require results in the near term. A large-scale, multidisciplinary and collaborative effort should be mounted to solve these problems in a timely way so that their solution will have the needed impact on the urgent questions of understanding the physico-chemical processes initiated and driven by electron interactions.

Characterizing physical properties and heterogeneous chemistry of single particles in air using optical trapping-Raman spectroscopy

Science.gov (United States)

Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

2017-12-01

Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from

Interfacial and Thin Film Chemistry in Electron Device Fabrication

Science.gov (United States)

1992-01-01

Chemistry During Electronic Processing" by Professor Richard Osgood, Jr.; "In Situ Optical Diagnostics of Semiconductors Prepared by Laser Chemical Processing...N(Igde Area Code) 22c OFF ft SYMBO. Professors Georee Flynn and Richard Os~ood I MSL DD Form 1473, JUN 86 Previous edotions are obsolete SECURITY...and D. L. Smith, Phys.I Rev. Lett. 62, 649 (1989). 19. E. A. Caridi, T. Y. Chang, K. W. Goossen and L. F. Eastman, AOLi Phvs. Tett. 56, 659 (1990). 1

Time-dependent quantum chemistry of laser driven many-electron molecules

International Nuclear Information System (INIS)

Nguyen-Dang, Thanh-Tung; Couture-Bienvenue, Étienne; Viau-Trudel, Jérémy; Sainjon, Amaury

2014-01-01

A Time-Dependent Configuration Interaction approach using multiple Feshbach partitionings, corresponding to multiple ionization stages of a laser-driven molecule, has recently been proposed [T.-T. Nguyen-Dang and J. Viau-Trudel, J. Chem. Phys. 139, 244102 (2013)]. To complete this development toward a fully ab-initio method for the calculation of time-dependent electronic wavefunctions of an N-electron molecule, we describe how tools of multiconfiguration quantum chemistry such as the management of the configuration expansion space using Graphical Unitary Group Approach concepts can be profitably adapted to the new context, that of time-resolved electronic dynamics, as opposed to stationary electronic structure. The method is applied to calculate the detailed, sub-cycle electronic dynamics of BeH 2 , treated in a 3–21G bound-orbital basis augmented by a set of orthogonalized plane-waves representing continuum-type orbitals, including its ionization under an intense λ = 800 nm or λ = 80 nm continuous-wave laser field. The dynamics is strongly non-linear at the field-intensity considered (I ≃ 10 15 W/cm 2 ), featuring important ionization of an inner-shell electron and strong post-ionization bound-electron dynamics

Integrating a Single Tablet PC in Chemistry, Engineering, and Physics Courses

Science.gov (United States)

Rogers, James W.; Cox, James R.

2008-01-01

A tablet PC is a versatile computer that combines the computing power of a notebook with the pen functionality of a PDA (Cox and Rogers 2005b). The authors adopted tablet PC technology in order to improve the process and product of the lecture format in their chemistry, engineering, and physics courses. In this high-tech model, a single tablet PC…

From nanofabrication to self-fabrication--tailored chemistry for control of single molecule electronic devices

DEFF Research Database (Denmark)

Moth-Poulsen, Kasper; Bjørnholm, Thomas

2010-01-01

as alternatives to the dominant top-down nanofabrication techniques. One example is solution-based self-assembly of a molecule enclosed by two gold nanorod electrodes. This article will discuss recent attempts to control the self-assembly process by the use of supramolecular chemistry and how to tailor...

Coherent control of single electrons: a review of current progress

Science.gov (United States)

Bäuerle, Christopher; Glattli, D. Christian; Meunier, Tristan; Portier, Fabien; Roche, Patrice; Roulleau, Preden; Takada, Shintaro; Waintal, Xavier

2018-05-01

In this report we review the present state of the art of the control of propagating quantum states at the single-electron level and its potential application to quantum information processing. We give an overview of the different approaches that have been developed over the last few years in order to gain full control over a propagating single-electron in a solid-state system. After a brief introduction of the basic concepts, we present experiments on flying qubit circuits for ensemble of electrons measured in the low frequency (DC) limit. We then present the basic ingredients necessary to realise such experiments at the single-electron level. This includes a review of the various single-electron sources that have been developed over the last years and which are compatible with integrated single-electron circuits. This is followed by a review of recent key experiments on electron quantum optics with single electrons. Finally we will present recent developments in the new physics that has emerged using ultrashort voltage pulses. We conclude our review with an outlook and future challenges in the field.

Direct single electron detection with a CMOS detector for electron microscopy

International Nuclear Information System (INIS)

Faruqi, A.R.; Henderson, R.; Pryddetch, M.; Allport, P.; Evans, A.

2005-01-01

We report the results of an investigation into the use of a monolithic active pixel sensor (MAPS) for electron microscopy. MAPS, designed originally for astronomers at the Rutherford Appleton Laboratories, was installed in a 120 kV electron microscope (Philips CM12) at the MRC Laboratory in Cambridge for tests which included recording single electrons at 40 and 120 keV, and measuring signal-to-noise ratio (SNR), spatial resolution and radiation sensitivity. Our results show that, due to the excellent SNR and resolution, it is possible to register single electrons. The radiation damage to the detector is apparent with low doses and gets progressively greater so that its lifetime is limited to 600,000-900,000 electrons/pixel (very approximately 10-15 krad). Provided this detector can be radiation hardened to reduce its radiation sensitivity several hundred fold and increased in size, it will provide excellent performance for all types of electron microscopy

Highly efficient electron gun with a single-atom electron source

International Nuclear Information System (INIS)

Ishikawa, Tsuyoshi; Urata, Tomohiro; Cho, Boklae; Rokuta, Eiji; Oshima, Chuhei; Terui, Yoshinori; Saito, Hidekazu; Yonezawa, Akira; Tsong, Tien T.

2007-01-01

The authors have demonstrated highly collimated electron-beam emission from a practical electron gun with a single-atom electron source; ∼80% of the total emission current entered the electron optics. This ratio was two or three orders of magnitude higher than those of the conventional electron sources such as a cold field emission gun and a Zr/O/W Schottky gun. At the pressure of less than 1x10 -9 Pa, the authors observed stable emission of 20 nA, which generates the specimen current of 5 pA required for scanning electron microscopes

Characteristics of trapped electrons and electron traps in single crystals

International Nuclear Information System (INIS)

Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

1979-01-01

Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

Electron-Scavenging Chemistry of Benzoquinone on TiO2(110)

Energy Technology Data Exchange (ETDEWEB)

Henderson, Michael A.; Shen, Mingmin

2017-04-03

The chemistry of benzoquinone (BQ) on TiO2(110) was examined using temperature programmed desorption (TPD), electron energy loss spectroscopy (EELS) and Auger electron spectroscopy (AES). BQ adsorbs mostly molecularly on the clean surface, although EELS demonstrates that electrons from surface Ti3+ sites at oxygen vacancy sites (VO) are readily oxidized by the high electron scavenging ability of the molecule. In contrast, when the surface is covered with water, subsequently adsorbed BQ molecules that scavenge surface electrons also abstract H from surface OHbr groups to form hydroquinone (HQ), which desorbs at ~450 K. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The research was performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

Complex chemistry

International Nuclear Information System (INIS)

Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

2006-06-01

This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

Electron-vibron coupling effects on electron transport via a single-molecule magnet

Science.gov (United States)

McCaskey, Alexander; Yamamoto, Yoh; Warnock, Michael; Burzurí, Enrique; van der Zant, Herre S. J.; Park, Kyungwha

2015-03-01

We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters, vibrational energies, and electron-vibron coupling strengths of the Fe4 are computed using DFT. A giant spin model is applied to the Fe4 with only two charge states, specifically a neutral state with a total spin S =5 and a singly charged state with S =9 /2 , which is consistent with our DFT result and experiments on Fe4 single-molecule transistors. In sequential electron tunneling, we find that the magnetic anisotropy gives rise to new features in the conductance peaks arising from vibrational excitations. In particular, the peak height shows a strong, unusual dependence on the direction as well as magnitude of applied B field. The magnetic anisotropy also introduces vibrational satellite peaks whose position and height are modified with the direction and magnitude of applied B field. Furthermore, when multiple vibrational modes with considerable electron-vibron coupling have energies close to one another, a low-bias current is suppressed, independently of gate voltage and applied B field, although that is not the case for a single mode with a similar electron-vibron coupling. In the former case, the conductance peaks reveal a stronger B -field dependence than in the latter case. The new features appear because the magnetic anisotropy barrier is of the same order of magnitude as the energies of vibrational modes with significant electron-vibron coupling. Our findings clearly show the interesting interplay between magnetic anisotropy and electron-vibron coupling in electron transport via the Fe4. Similar behavior can be observed in transport via other anisotropic magnetic molecules.

Neuronal synchrony detection on single-electron neural networks

International Nuclear Information System (INIS)

Oya, Takahide; Asai, Tetsuya; Kagaya, Ryo; Hirose, Tetsuya; Amemiya, Yoshihito

2006-01-01

Synchrony detection between burst and non-burst spikes is known to be one functional example of depressing synapses. Kanazawa et al. demonstrated synchrony detection with MOS depressing synapse circuits. They found that the performance of a network with depressing synapses that discriminates between burst and random input spikes increases non-monotonically as the static device mismatch is increased. We designed a single-electron depressing synapse and constructed the same network as in Kanazawa's study to develop noise-tolerant single-electron circuits. We examined the temperature characteristics and explored possible architecture that enables single-electron circuits to operate at T > 0 K

Relative effect of solder flux chemistry on the humidity related failures in electronics

DEFF Research Database (Denmark)

Verdingovas, Vadimas; Jellesen, Morten Stendahl; Ambat, Rajan

2015-01-01

Purpose - This paper aims to investigate the effect of no-clean flux chemistry with various weak organic acids (WOAs) as activators on the corrosion reliability of electronics with emphasis on the hygroscopic nature of the residue. Design/methodology/approach - The hygroscopicity of flux residue...... in the impedance measurements were observed. Practical implications - The findings are attributed to the deliquescence RH of the WOA(s) in the flux and chemistry of water-layer formation. The results show the importance of WOA type in relation to its solubility and deliquescence RH on the corrosion reliability...

ESR-ENDOR study of x-irradiated single crystals of α.D.glucopyranose and α-methyl.D.glucopyranoside; environmental effects upon radiation and free radical chemistry in carbohydrate model systems

International Nuclear Information System (INIS)

Madden, K.P.

1980-01-01

Single crystals of x-irradiated α-D-glucopyranose (αGlu) and α-methyl-D-glucopyranoside (αMeGlu) were studied using electron spin resonance and electron nuclear double resonance spectroscopy, to determine products and reaction mechanisms in carbohydrate radiation and free-radical chemistry. Four free-radical products were identified in αMeGlu single crystals irradiated and studied at 77K. Irradiation and observation at 12K produced yet another species. Four free radicals were identified in αGlu single crystals irradiated and observed at 12K and 77K. Free radical reaction in αGlu and αMeGlu were induced by slowly warming crystals irradiated at 77K until conversion occurred. Environmental influences upon these free-radical reaction mechanisms are discussed. The results from previous work on irradiated aqueous glasses of αGlu is briefly reviewed, and compared to those obtained from the single crystal system

Single electron counting using a dual MCP assembly

International Nuclear Information System (INIS)

Yang, Yuzhen; Liu, Shulin; Zhao, Tianchi; Yan, Baojun; Wang, Peiliang; Yu, Yang; Lei, Xiangcui; Yang, Luping; Wen, Kaile; Qi, Ming

2016-01-01

The gain, pulse height resolution and peak-to-valley ratio of single electrons detected by using a Chevron configured Microchannel Plate (MCP) assembly are studied. The two MCPs are separated by a 280 µm gap and are biased by four electrodes. The purpose of the study is to determine the optimum bias voltage arrangements for single electron counting. By comparing the results of various bias voltage combinations, we conclude that good performance for the electron counting can be achieved by operating the MCP assembly in saturation mode. In addition, by applying a small reverse bias voltage across the gap while adjusting the bias voltages of the MCPs, optimum performance of electron counting can be obtained. - Highlights: • Dual MCPs assembly with four electrodes using different voltage combinations has been investigated for single electron counting. • Both the MCP voltages and the gap voltage can affect the gain, pulse height resolution and P/V ratio. • A high gain of the first stage MCP, a saturation mode of the second stage MCP and an appropriately reverse gap voltage can improve the resolution greatly. • The optimum voltage arrangements is significant for the design of MCP detectors in single electron counting applications.

Spatial and temporal resolution in cryo-electron microscopy : a scope for nano-chemistry

NARCIS (Netherlands)

Frederik, P.M.; Sommerdijk, N.A.J.M.

2005-01-01

Cryo-electron microscopy has evolved in an established approach to study the structure of bio-colloids. Recent developments in instrumentation and automation, often demanded by life sciences, made cryo-EM a general tool in colloid chemistry. Recently improved instrumentation for vitrification has

Single-electron tunnel junction array

International Nuclear Information System (INIS)

Likharev, K.K.; Bakhvalov, N.S.; Kazacha, G.S.; Serdyukova, S.I.

1989-01-01

The authors have carried out an analysis of statics and dynamics of uniform one-dimensional arrays of ultrasmall tunnel junctions. The correlated single-electron tunneling in the junctions of the array results in its behavior qualitatively similar to that of the Josephson transmission line. In particular, external electric fields applied to the array edges can inject single-electron-charged solitons into the array interior. Shape of such soliton and character of its interactions with other solitons and the array edges are very similar to those of the Josephson vortices (sine-Gordon solitons) in the Josephson transmission line. Under certain conditions, a coherent motion of the soliton train along the array is possible, resulting in generation of narrowband SET oscillations with frequency f/sub s/ = /e where is the dc current flowing along the array

Single-electron charging effects

International Nuclear Information System (INIS)

Ruggiero, S.T.

1991-01-01

The status of our project on single-electron tunneling is, again, excellent. As outlined in our original proposal, a key goal for this project has been the development of a scanning tunneling instrument for the purpose of imaging individual particles and tunneling into these particles at high magnetic fields. Further progress is discussed in this report

Electron-induced chemistry in microhydrated sulfuric acid clusters

Science.gov (United States)

Lengyel, Jozef; Pysanenko, Andriy; Fárník, Michal

2017-11-01

We investigate the mixed sulfuric acid-water clusters in a molecular beam experiment with electron attachment and negative ion mass spectrometry and complement the experiment by density functional theory (DFT) calculations. The microhydration of (H2SO4)m(H2O)n clusters is controlled by the expansion conditions, and the electron attachment yields the main cluster ion series (H2SO4)m(H2O)nHSO4- and (H2O)nH2SO4-. The mass spectra provide an experimental evidence for the onset of the ionic dissociation of sulfuric acid and ion-pair (HSO4- ṡ ṡ ṡ H3O+) formation in the neutral H2SO4(H2O)n clusters with n ≥ 5 water molecules, in excellent agreement with the theoretical predictions. In the clusters with two sulfuric acid molecules (H2SO4)2(H2O)n this process starts as early as n ≥ 2 water molecules. The (H2SO4)m(H2O)nHSO4- clusters are formed after the dissociative electron attachment to the clusters containing the (HSO4- ṡ ṡ ṡ H3O+) ion-pair structure, which leads to the electron recombination with the H3O+ moiety generating H2O molecule and the H-atom dissociation from the cluster. The (H2O)nH2SO4- cluster ions point to an efficient caging of the H atom by the surrounding water molecules. The electron-energy dependencies exhibit an efficient electron attachment at low electron energies below 3 eV, and no resonances above this energy, for all the measured mass peaks. This shows that in the atmospheric chemistry only the low-energy electrons can be efficiently captured by the sulfuric acid-water clusters and converted into the negative ions. Possible atmospheric consequences of the acidic dissociation in the clusters and the electron attachment to the sulfuric acid-water aerosols are discussed.

Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view

CERN Document Server

Site, Luigi

2014-01-01

This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.

Radiation chemistry and advanced polymer materials studied by picosecond pulse radiolysis combined with femtosecond laser

International Nuclear Information System (INIS)

Tagawa, S.; Yoshida, Y.; Miki, M.; Yamamoto, T.; Ushida, K.; Izumi, Y.

1996-01-01

We have synchronized a single picosecond MeV electron pulse from L-band linear accelerator (linac) of The Institute of Scientific and Industrial Research of Osaka University to a single femtosecond laser pulse of Ti:Sapphire laser. It is an essential technique for the future femtosecond pulse radiolysis and is also applied to many kinds of combined application of more than two different beams from accelerators in very short time range. Radiation chemistry and new type of polymers have been studied by LL (laser-linac) twin picosecond pulse radiolysis. Especially the early events in radiation chemistry such as geminate recombination processes of electrons and radical cations are have been studied in both liquids and solids. (author)

Nanospintronics: when spintronics meets single electron physics

International Nuclear Information System (INIS)

Seneor, Pierre; Bernand-Mantel, Anne; Petroff, Frederic

2007-01-01

As spintronics goes nano, new phenomena are predicted resulting from the interplay between spin dependent transport and single electron physics. The long term goal of manipulating spins one by one would open a promising path to quantum computing. Towards this end, there is an ever-growing effort to connect spin tanks (i.e. ferromagnetic leads) to smaller and smaller objects in order to study spintronics in reduced dimensions. As the dimensions are reduced, spin dependent transport is predicted to interplay with quantum and/or single electron charging effects. We review experiments and theories on the interplay between Coulomb blockade and spin properties (namely magneto-Coulomb effects) in structures where a single nano-object is connected to ferromagnetic leads. We then discuss briefly future directions in the emerging field of nanospintronics towards quantum dots, carbon nanotubes and single molecule magnets

Characterizing the response of a scintillator-based detector to single electrons

International Nuclear Information System (INIS)

Sang, Xiahan; LeBeau, James M.

2016-01-01

Here we report the response of a high angle annular dark field scintillator-based detector to single electrons. We demonstrate that care must be taken when determining the single electron intensity as significant discrepancies can occur when quantifying STEM images with different methods. To account for the detector response, we first image the detector using very low beam currents (∼8 fA), and subsequently model the interval between consecutive single electrons events. We find that single electrons striking the detector present a wide distribution of intensities, which we show is not described by a simple function. Further, we present a method to accurately account for the electrons within the incident probe when conducting quantitative imaging. The role detector settings play on determining the single electron intensity is also explored. Finally, we extend our analysis to describe the response of the detector to multiple electron events within the dwell interval of each pixel. - Highlights: • We show that the statistical description of single electron response of scintillator based detectors can be measured using a combination of small beam currents and short dwell times. • The average intensity from the probability distribution function can be used to normalize STEM images regardless of beam current and contrast settings. • We obtain consistent QSTEM normalization results from the single electron method and the conventional detector scan method.

Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

Science.gov (United States)

Adib, Kaveh

Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

Understanding the Role of Water on Electron-Initiated Processes and Radical Chemistry

Energy Technology Data Exchange (ETDEWEB)

Garrett, Bruce C [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Colson, Steven D [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dixon, David A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Laufer, Allan H [US Department of Energy Office of Science Office of Basic Energy Sciences; Ray, Douglas [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2003-06-10

On September 26–28, 2002, a workshop entitled “Understanding the Role of Water on Electron-Initiated Processes and Radical Chemistry” was held to assess new research opportunities in electron-driven processes and radical chemistry in aqueous systems. Of particular interest was the unique and complex role that the structure of water plays in influencing these processes. Novel experimental and theoretical approaches to solving long-standing problems in the field were explored. A broad selection of participants from universities and the national laboratories contributed to the workshop, which included scientific and technical presentations and parallel sessions for discussions and report writing.

Electron irradiation effect on single crystal of niobium

International Nuclear Information System (INIS)

Otero, M.P.; Lucki, G.

1984-01-01

The effect of electron irradiation (900 KeV) on gliding dislocations of single crystal Nb with its tensile axe in the [941] orientation was observed for the in-situ deformation in a high voltage electron microscope (HVEM) at Argonne National Laboratory. The experimental was carried out by the 1 hour-electron irradiation with no stress applied. Straight dislocations actuating as sinks for the electron produced defects became helicoidal as the irradiation proceeded. Frenkel pairs were created in Nb for electron energies > = 650 KeV and, as the single vacancies do not undergo long-range migration in Nb at temperatures much below 620 K, the defects that are entrapped by the dislocations are self-interstitials produced by electron displacement. Applying the stress it was possible to observe that modified dislocations did not glide while the dislocations not affected by the irradiation are visibly in movement. This important result explains the neutron and electron-irradiation induced work-hardening effect for Nb that was previously observed. (Author) [pt

Molecular electronics with single molecules in solid-state devices.

Science.gov (United States)

Moth-Poulsen, Kasper; Bjørnholm, Thomas

2009-09-01

The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule, and on how the electron transport properties of the molecule depend on the strength of the electronic coupling between it and the electrodes. A variety of phenomena are observed depending on whether this coupling is weak, intermediate or strong.

Electron-induced chemistry in microhydrated sulfuric acid clusters

Directory of Open Access Journals (Sweden)

J. Lengyel

2017-11-01

Full Text Available We investigate the mixed sulfuric acid–water clusters in a molecular beam experiment with electron attachment and negative ion mass spectrometry and complement the experiment by density functional theory (DFT calculations. The microhydration of (H2SO4m(H2On clusters is controlled by the expansion conditions, and the electron attachment yields the main cluster ion series (H2SO4m(H2OnHSO4− and (H2OnH2SO4−. The mass spectra provide an experimental evidence for the onset of the ionic dissociation of sulfuric acid and ion-pair (HSO4−  ⋅  ⋅  ⋅  H3O+ formation in the neutral H2SO4(H2On clusters with n ≥ 5 water molecules, in excellent agreement with the theoretical predictions. In the clusters with two sulfuric acid molecules (H2SO42(H2On this process starts as early as n ≥ 2 water molecules. The (H2SO4m(H2OnHSO4− clusters are formed after the dissociative electron attachment to the clusters containing the (HSO4−  ⋅  ⋅  ⋅  H3O+ ion-pair structure, which leads to the electron recombination with the H3O+ moiety generating H2O molecule and the H-atom dissociation from the cluster. The (H2OnH2SO4− cluster ions point to an efficient caging of the H atom by the surrounding water molecules. The electron-energy dependencies exhibit an efficient electron attachment at low electron energies below 3 eV, and no resonances above this energy, for all the measured mass peaks. This shows that in the atmospheric chemistry only the low-energy electrons can be efficiently captured by the sulfuric acid–water clusters and converted into the negative ions. Possible atmospheric consequences of the acidic dissociation in the clusters and the electron attachment to the sulfuric acid–water aerosols are discussed.

Probing the local environment of a single OPE3 molecule using inelastic tunneling electron spectroscopy.

Science.gov (United States)

Frisenda, Riccardo; Perrin, Mickael L; van der Zant, Herre S J

2015-01-01

We study single-molecule oligo(phenylene ethynylene)dithiol junctions by means of inelastic electron tunneling spectroscopy (IETS). The molecule is contacted with gold nano-electrodes formed with the mechanically controllable break junction technique. We record the IETS spectrum of the molecule from direct current measurements, both as a function of time and electrode separation. We find that for fixed electrode separation the molecule switches between various configurations, which are characterized by different IETS spectra. Similar variations in the IETS signal are observed during atomic rearrangements upon stretching of the molecular junction. Using quantum chemistry calculations, we identity some of the vibrational modes which constitute a chemical fingerprint of the molecule. In addition, changes can be attributed to rearrangements of the local molecular environment, in particular at the molecule-electrode interface. This study shows the importance of taking into account the interaction with the electrodes when describing inelastic contributions to transport through single-molecule junctions.

Molecular electronics with single molecules in solid-state devices

DEFF Research Database (Denmark)

Moth-Poulsen, Kasper; Bjørnholm, Thomas

2009-01-01

The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule...

Quantum-Sequencing: Fast electronic single DNA molecule sequencing

Science.gov (United States)

Casamada Ribot, Josep; Chatterjee, Anushree; Nagpal, Prashant

2014-03-01

A major goal of third-generation sequencing technologies is to develop a fast, reliable, enzyme-free, high-throughput and cost-effective, single-molecule sequencing method. Here, we present the first demonstration of unique ``electronic fingerprint'' of all nucleotides (A, G, T, C), with single-molecule DNA sequencing, using Quantum-tunneling Sequencing (Q-Seq) at room temperature. We show that the electronic state of the nucleobases shift depending on the pH, with most distinct states identified at acidic pH. We also demonstrate identification of single nucleotide modifications (methylation here). Using these unique electronic fingerprints (or tunneling data), we report a partial sequence of beta lactamase (bla) gene, which encodes resistance to beta-lactam antibiotics, with over 95% success rate. These results highlight the potential of Q-Seq as a robust technique for next-generation sequencing.

Electron-vibron coupling effects on electron transport via a single-molecule magnet

NARCIS (Netherlands)

McCaskey, A.; Yamamoto, Y.; Warnock, M.; Burzuri, E.; Van der Zant, H.S.J.; Park, K.

2015-01-01

We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe4, by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters,

25th anniversary article: progress in chemistry and applications of functional indigos for organic electronics.

Science.gov (United States)

Głowacki, Eric Daniel; Voss, Gundula; Sariciftci, Niyazi Serdar

2013-12-17

Indigo and its derivatives are dyes and pigments with a long and distinguished history in organic chemistry. Recently, applications of this 'old' structure as a functional organic building block for organic electronics applications have renewed interest in these molecules and their remarkable chemical and physical properties. Natural-origin indigos have been processed in fully bio-compatible field effect transistors, operating with ambipolar mobilities up to 0.5 cm(2) /Vs and air-stability. The synthetic derivative isoindigo has emerged as one of the most successful building-blocks for semiconducting polymers for plastic solar cells with efficiencies > 5%. Another isomer of indigo, epindolidione, has also been shown to be one of the best reported organic transistor materials in terms of mobility (∼2 cm(2) /Vs) and stability. This progress report aims to review very recent applications of indigoids in organic electronics, but especially to logically bridge together the hereto independent research directions on indigo, isoindigo, and other materials inspired by historical dye chemistry: a field which was the root of the development of modern chemistry in the first place. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Statistical Methods for Single-Particle Electron Cryomicroscopy

DEFF Research Database (Denmark)

Jensen, Katrine Hommelhoff

Electron cryomicroscopy (cryo-EM) is a form of transmission electron microscopy, aimed at reconstructing the 3D structure of a macromolecular complex from a large set of 2D projection images, as they exhibit a very low signal-to-noise ratio (SNR). In the single-particle reconstruction (SPR) probl...

The molecular electron density distribution meeting place of X-ray diffraction and quantum chemistry intermediate - between theory and experiment

NARCIS (Netherlands)

Feil, D.; Feil, Dirk

1992-01-01

Quantum chemistry and the concepts used daily in chemistry are increasingly growing apart. Among the concepts that are able to bridge the gap between theory and experimental practice, electron density distribution has an important place. The study of this distribution has led to new developments in

Evaluation of meteorological parameters over a coniferous forest in a single-column chemistry-climate model

NARCIS (Netherlands)

Ganzeveld, L.N.; Klemm, O.; Rappenglück, B.; Valverde-Canossa, J.

2006-01-01

The simulated micrometerology by a single-column chemistry-climate model (SCM) has been evaluated by comparison with BEWA2000 field campaign measurements over a coniferous forest, July-August 2001. This comparison indicates the limitations in the representation of the SCM's micrometeorological

Efficient electronic entanglement concentration assisted by single mobile electrons

International Nuclear Information System (INIS)

Sheng Yu-Bo; Zhou Lan

2013-01-01

We present an efficient entanglement concentration protocol (ECP) for mobile electrons with charge detection. This protocol is quite different from other ECPs for one can obtain a maximally entangled pair from a pair of less-entangled state and a single mobile electron with a certain probability. With the help of charge detection, it can be repeated to reach a higher success probability. It also does not need to know the coefficient of the original less-entangled states. All these advantages may make this protocol useful in current distributed quantum information processing

A review of electron-capture and electron-transfer dissociation tandem mass spectrometry in polymer chemistry

International Nuclear Information System (INIS)

Hart-Smith, Gene

2014-01-01

Graphical abstract: -- Highlights: •ECD and ETD can produce unique and diagnostically useful polymer ion fragmentation data. •The operating principles of ECD and ETD are discussed in relation to other dissociation techniques. •Key characteristics of ECD and ETD spectra, as observed from biological analytes, are discussed. •ECD and ETD analyses are compared to CID analyses for different classes of synthetic polymer. -- Abstract: Mass spectrometry (MS)-based studies of synthetic polymers often characterise detected polymer components using mass data alone. However when mass-based characterisations are ambiguous, tandem MS (MS/MS) offers a means by which additional analytical information may be collected. This review provides a synopsis of two particularly promising methods of dissociating polymer ions during MS/MS: electron-capture and electron-transfer dissociation (ECD and ETD, respectively). The article opens with a summary of the basic characteristics and operating principles of ECD and ETD, and relates these techniques to other methods of dissociating gas-phase ions, such as collision-induced dissociation (CID). Insights into ECD- and ETD-based MS/MS, gained from studies into proteins and peptides, are then discussed in relation to polymer chemistry. Finally, ECD- and ETD-based studies into various classes of polymer are summarised; for each polymer class, ECD- and ETD-derived data are compared to CID-derived data. These discussions identify ECD and ETD as powerful means by which unique and diagnostically useful polymer ion fragmentation data may be generated, and techniques worthy of increased utilisation by the polymer chemistry community

"Size-Independent" Single-Electron Tunneling.

Science.gov (United States)

Zhao, Jianli; Sun, Shasha; Swartz, Logan; Riechers, Shawn; Hu, Peiguang; Chen, Shaowei; Zheng, Jie; Liu, Gang-Yu

2015-12-17

Incorporating single-electron tunneling (SET) of metallic nanoparticles (NPs) into modern electronic devices offers great promise to enable new properties; however, it is technically very challenging due to the necessity to integrate ultrasmall (<10 nm) particles into the devices. The nanosize requirements are intrinsic for NPs to exhibit quantum or SET behaviors, for example, 10 nm or smaller, at room temperature. This work represents the first observation of SET that defies the well-known size restriction. Using polycrystalline Au NPs synthesized via our newly developed solid-state glycine matrices method, a Coulomb Blockade was observed for particles as large as tens of nanometers, and the blockade voltage exhibited little dependence on the size of the NPs. These observations are counterintuitive at first glance. Further investigations reveal that each observed SET arises from the ultrasmall single crystalline grain(s) within the polycrystal NP, which is (are) sufficiently isolated from the nearest neighbor grains. This work demonstrates the concept and feasibility to overcome orthodox spatial confinement requirements to achieve quantum effects.

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.

Science.gov (United States)

Nakata, Maho; Shimazaki, Tomomi

2017-06-26

Large-scale molecular databases play an essential role in the investigation of various subjects such as the development of organic materials, in silico drug design, and data-driven studies with machine learning. We have developed a large-scale quantum chemistry database based on first-principles methods. Our database currently contains the ground-state electronic structures of 3 million molecules based on density functional theory (DFT) at the B3LYP/6-31G* level, and we successively calculated 10 low-lying excited states of over 2 million molecules via time-dependent DFT with the B3LYP functional and the 6-31+G* basis set. To select the molecules calculated in our project, we referred to the PubChem Project, which was used as the source of the molecular structures in short strings using the InChI and SMILES representations. Accordingly, we have named our quantum chemistry database project "PubChemQC" ( http://pubchemqc.riken.jp/ ) and placed it in the public domain. In this paper, we show the fundamental features of the PubChemQC database and discuss the techniques used to construct the data set for large-scale quantum chemistry calculations. We also present a machine learning approach to predict the electronic structure of molecules as an example to demonstrate the suitability of the large-scale quantum chemistry database.

Noncovalent Molecular Electronics.

Science.gov (United States)

Gryn'ova, G; Corminboeuf, C

2018-05-03

Molecular electronics covers several distinctly different conducting architectures, including organic semiconductors and single-molecule junctions. The noncovalent interactions, abundant in the former, are also often found in the latter, i.e., the dimer junctions. In the present work, we draw the parallel between the two types of noncovalent molecular electronics for a range of π-conjugated heteroaromatic molecules. In silico modeling allows us to distill the factors that arise from the chemical nature of their building blocks and from their mutual arrangement. We find that the same compounds are consistently the worst and the best performers in the two types of electronic assemblies, emphasizing the universal imprint of the underlying chemistry of the molecular cores on their diverse charge transport characteristics. The interplay between molecular and intermolecular factors creates a spectrum of noncovalent conductive architectures, which can be manipulated using the design strategies based upon the established relationships between chemistry and transport.

Computational quantum chemistry website

International Nuclear Information System (INIS)

1997-01-01

This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage

Role of electron-electron scattering on spin transport in single layer graphene

Directory of Open Access Journals (Sweden)

Bahniman Ghosh

2014-01-01

Full Text Available In this work, the effect of electron-electron scattering on spin transport in single layer graphene is studied using semi-classical Monte Carlo simulation. The D’yakonov-P’erel mechanism is considered for spin relaxation. It is found that electron-electron scattering causes spin relaxation length to decrease by 35% at 300 K. The reason for this decrease in spin relaxation length is that the ensemble spin is modified upon an e-e collision and also e-e scattering rate is greater than phonon scattering rate at room temperature, which causes change in spin relaxation profile due to electron-electron scattering.

Giant current fluctuations in an overheated single-electron transistor

Science.gov (United States)

Laakso, M. A.; Heikkilä, T. T.; Nazarov, Yuli V.

2010-11-01

Interplay of cotunneling and single-electron tunneling in a thermally isolated single-electron transistor leads to peculiar overheating effects. In particular, there is an interesting crossover interval where the competition between cotunneling and single-electron tunneling changes to the dominance of the latter. In this interval, the current exhibits anomalous sensitivity to the effective electron temperature of the transistor island and its fluctuations. We present a detailed study of the current and temperature fluctuations at this interesting point. The methods implemented allow for a complete characterization of the distribution of the fluctuating quantities, well beyond the Gaussian approximation. We reveal and explore the parameter range where, for sufficiently small transistor islands, the current fluctuations become gigantic. In this regime, the optimal value of the current, its expectation value, and its standard deviation differ from each other by parametrically large factors. This situation is unique for transport in nanostructures and for electron transport in general. The origin of this spectacular effect is the exponential sensitivity of the current to the fluctuating effective temperature.

The low energy (140 MeV) chemistry facility at the 500 MeV electron accelerator MEA at Amsterdam

International Nuclear Information System (INIS)

Brinkman, G.A.; Kapteyn, J.C.; Louwrier, P.W.F.; Lindner, L.; Peelen, B.; Polak, P.; Schimmel, A.; Stock, F.R.; Veenboer, J.T.; Visser, J.

1980-01-01

The facility includes the Low Energy Chemistry (LECH) hall equipped with a beam-line for pulse-radiolysis and a second one for the production of radioisotopes and for experiments with electron-free photon beams. It also includes the Low Energy Laboratory (LELAB) containing two chemistry laboratories and a control room. These facilities are also available to outside research groups. (orig./HP)

Vibrationally coupled electron transport through single-molecule junctions

Energy Technology Data Exchange (ETDEWEB)

Haertle, Rainer

2012-04-26

Single-molecule junctions are among the smallest electric circuits. They consist of a molecule that is bound to a left and a right electrode. With such a molecular nanocontact, the flow of electrical currents through a single molecule can be studied and controlled. Experiments on single-molecule junctions show that a single molecule carries electrical currents that can even be in the microampere regime. Thereby, a number of transport phenomena have been observed, such as, for example, diode- or transistor-like behavior, negative differential resistance and conductance switching. An objective of this field, which is commonly referred to as molecular electronics, is to relate these transport phenomena to the properties of the molecule in the contact. To this end, theoretical model calculations are employed, which facilitate an understanding of the underlying transport processes and mechanisms. Thereby, one has to take into account that molecules are flexible structures, which respond to a change of their charge state by a profound reorganization of their geometrical structure or may even dissociate. It is thus important to understand the interrelation between the vibrational degrees of freedom of a singlemolecule junction and the electrical current flowing through the contact. In this thesis, we investigate vibrational effects in electron transport through singlemolecule junctions. For these studies, we calculate and analyze transport characteristics of both generic and first-principles based model systems of a molecular contact. To this end, we employ a master equation and a nonequilibrium Green's function approach. Both methods are suitable to describe this nonequilibrium transport problem and treat the interactions of the tunneling electrons on the molecular bridge non-perturbatively. This is particularly important with respect to the vibrational degrees of freedom, which may strongly interact with the tunneling electrons. We show in detail that the resulting

Non-thermally activated chemistry

International Nuclear Information System (INIS)

Stiller, W.

1987-01-01

The subject is covered under the following headings: state-of-the art of non-thermally activated chemical processes; basic phenomena in non-thermal chemistry including mechanochemistry, photochemistry, laser chemistry, electrochemistry, photo-electro chemistry, high-field chemistry, magneto chemistry, plasma chemistry, radiation chemistry, hot-atom chemistry, and positronium and muonium chemistry; elementary processes in non-thermal chemistry including nuclear chemistry, interactions of electromagnetic radiations, electrons and heavy particles with matter, ionic elementary processes, elementary processes with excited species, radicalic elementary processes, and energy-induced elementary processes on surfaces and interfaces; and comparative considerations. An appendix with historical data and a subject index is given. 44 figs., 41 tabs., and 544 refs

DNA-Based Single-Molecule Electronics: From Concept to Function

Science.gov (United States)

2018-01-01

Beyond being the repository of genetic information, DNA is playing an increasingly important role as a building block for molecular electronics. Its inherent structural and molecular recognition properties render it a leading candidate for molecular electronics applications. The structural stability, diversity and programmability of DNA provide overwhelming freedom for the design and fabrication of molecular-scale devices. In the past two decades DNA has therefore attracted inordinate amounts of attention in molecular electronics. This review gives a brief survey of recent experimental progress in DNA-based single-molecule electronics with special focus on single-molecule conductance and I–V characteristics of individual DNA molecules. Existing challenges and exciting future opportunities are also discussed. PMID:29342091

DNA-Based Single-Molecule Electronics: From Concept to Function.

Science.gov (United States)

Wang, Kun

2018-01-17

Beyond being the repository of genetic information, DNA is playing an increasingly important role as a building block for molecular electronics. Its inherent structural and molecular recognition properties render it a leading candidate for molecular electronics applications. The structural stability, diversity and programmability of DNA provide overwhelming freedom for the design and fabrication of molecular-scale devices. In the past two decades DNA has therefore attracted inordinate amounts of attention in molecular electronics. This review gives a brief survey of recent experimental progress in DNA-based single-molecule electronics with special focus on single-molecule conductance and I-V characteristics of individual DNA molecules. Existing challenges and exciting future opportunities are also discussed.

Electron-helium S-wave model benchmark calculations. I. Single ionization and single excitation

Science.gov (United States)

Bartlett, Philip L.; Stelbovics, Andris T.

2010-02-01

A full four-body implementation of the propagating exterior complex scaling (PECS) method [J. Phys. B 37, L69 (2004)] is developed and applied to the electron-impact of helium in an S-wave model. Time-independent solutions to the Schrödinger equation are found numerically in coordinate space over a wide range of energies and used to evaluate total and differential cross sections for a complete set of three- and four-body processes with benchmark precision. With this model we demonstrate the suitability of the PECS method for the complete solution of the full electron-helium system. Here we detail the theoretical and computational development of the four-body PECS method and present results for three-body channels: single excitation and single ionization. Four-body cross sections are presented in the sequel to this article [Phys. Rev. A 81, 022716 (2010)]. The calculations reveal structure in the total and energy-differential single-ionization cross sections for excited-state targets that is due to interference from autoionization channels and is evident over a wide range of incident electron energies.

Inhibition and anti-inhibition effects of positronium formation in cyclohexane and their relation to radiation chemistry

International Nuclear Information System (INIS)

Ito, Y.; Miyake, Y.; Tabata, Y.

1982-01-01

Positronium formation in cyclohexane has been studied using C 2 H 5 Br or CCl 4 as an inhibitor and C 6 F 6 as an anti-inhibitor. The results are analyzed using an empirical formula which is well established in radiation chemistry for electron scavenging reactions in cyclohexane. The reactivity parameters derived from the radiation chemistry are shown to successfully reproduce the experimental results. Very close correlation between positronium formation and radiation chemistry is evident, and the spur reaction model of positronium formation is corroborated. From a simple model of the positron spur in which only a single ion pair and a positron is assumed, it is estimated that about 75% of the spur electron combines with the positron. (author)

Electron attachment to DNA single strands: gas phase and aqueous solution.

Science.gov (United States)

Gu, Jiande; Xie, Yaoming; Schaefer, Henry F

2007-01-01

The 2'-deoxyguanosine-3',5'-diphosphate, 2'-deoxyadenosine-3',5'-diphosphate, 2'-deoxycytidine-3',5'-diphosphate and 2'-deoxythymidine-3',5'-diphosphate systems are the smallest units of a DNA single strand. Exploring these comprehensive subunits with reliable density functional methods enables one to approach reasonable predictions of the properties of DNA single strands. With these models, DNA single strands are found to have a strong tendency to capture low-energy electrons. The vertical attachment energies (VEAs) predicted for 3',5'-dTDP (0.17 eV) and 3',5'-dGDP (0.14 eV) indicate that both the thymine-rich and the guanine-rich DNA single strands have the ability to capture electrons. The adiabatic electron affinities (AEAs) of the nucleotides considered here range from 0.22 to 0.52 eV and follow the order 3',5'-dTDP > 3',5'-dCDP > 3',5'-dGDP > 3',5'-dADP. A substantial increase in the AEA is observed compared to that of the corresponding nucleic acid bases and the corresponding nucleosides. Furthermore, aqueous solution simulations dramatically increase the electron attracting properties of the DNA single strands. The present investigation illustrates that in the gas phase, the excess electron is situated both on the nucleobase and on the phosphate moiety for DNA single strands. However, the distribution of the extra negative charge is uneven. The attached electron favors the base moiety for the pyrimidine, while it prefers the 3'-phosphate subunit for the purine DNA single strands. In contrast, the attached electron is tightly bound to the base fragment for the cytidine, thymidine and adenosine nucleotides, while it almost exclusively resides in the vicinity of the 3'-phosphate group for the guanosine nucleotides due to the solvent effects. The comparatively low vertical detachment energies (VDEs) predicted for 3',5'-dADP(-) (0.26 eV) and 3',5'-dGDP(-) (0.32 eV) indicate that electron detachment might compete with reactions having high activation barriers

Theoretical study of reaction dynamics in radiation chemistry

International Nuclear Information System (INIS)

Tachiya, Masanori

2008-01-01

The period from late 1950's to early 1970's was golden age of radiation chemistry. During this period the hydrated electron was discovered, various new phenomena were found in ionic processes in liquid hydrocarbons, and the trapped electron and electron tunneling were discovered in organic glasses. In those days radiation chemistry was a vast treasure-house of theoretical problems. We could find not only problems special to radiation chemistry but also many problems interesting as general physical chemistry. In this review I explain how some theoretical problems discovered in the field of radiation chemistry have evolved into those of general physical chemistry, with special emphasis on my own work. (author)

Molecular electronics: the single molecule switch and transistor

NARCIS (Netherlands)

Sotthewes, Kai; Geskin, Victor; Heimbuch, Rene; Kumar, Avijit; Zandvliet, Henricus J.W.

2014-01-01

In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected

Electron correlations in single-electron capture from helium by fast protons and α particles

International Nuclear Information System (INIS)

Mancev, Ivan; Milojevic, Nenad

2010-01-01

Single-electron capture from heliumlike atomic systems by bare projectiles is investigated by means of the four-body boundary-corrected first Born approximation (CB1-4B). The effect of the dynamic electron correlation is explicitly taken into account through the complete perturbation potential. The quantum-mechanical post and prior transition amplitudes for single charge exchange encompassing symmetric and/or asymmetric collisions are derived in terms of two-dimensional real integrals in the case of the prior form and five-dimensional quadratures for the post form. An illustrative computation is performed for single-electron capture from helium by protons and α particles at intermediate and high impact energies. The role of dynamic correlations is examined as a function of increased projectile energy. The validity and utility of the proposed CB1-4B method is critically assessed in comparison with the existing experimental data for total cross sections, and excellent agreement is obtained.

Plasmonic tunnel junctions for single-molecule redox chemistry.

Science.gov (United States)

de Nijs, Bart; Benz, Felix; Barrow, Steven J; Sigle, Daniel O; Chikkaraddy, Rohit; Palma, Aniello; Carnegie, Cloudy; Kamp, Marlous; Sundararaman, Ravishankar; Narang, Prineha; Scherman, Oren A; Baumberg, Jeremy J

2017-10-20

Nanoparticles attached just above a flat metallic surface can trap optical fields in the nanoscale gap. This enables local spectroscopy of a few molecules within each coupled plasmonic hotspot, with near thousand-fold enhancement of the incident fields. As a result of non-radiative relaxation pathways, the plasmons in such sub-nanometre cavities generate hot charge carriers, which can catalyse chemical reactions or induce redox processes in molecules located within the plasmonic hotspots. Here, surface-enhanced Raman spectroscopy allows us to track these hot-electron-induced chemical reduction processes in a series of different aromatic molecules. We demonstrate that by increasing the tunnelling barrier height and the dephasing strength, a transition from coherent to hopping electron transport occurs, enabling observation of redox processes in real time at the single-molecule level.

A search for single electron production in electron positron annihilation at E = 29 GeV

International Nuclear Information System (INIS)

Steele, T.R.

1989-09-01

This thesis presents experimental results from the ASP detector which took data on e + e - interactions in the PEP storage ring at SLAC. Its design was particularly suitable for searching for production of supersymmetric particles. The motivations for and phenomenology of Supersymmetry are discussed. In particular, the production of a single supersymmetric electron (''selectron'', e) in combination with a supersymmetric photon (''photino'', γ) would result in events in which a single electron and no other particles are observed in the detector at an e + e - collider such as PEP, provided the masses of these particles are not too large. Such events would also result from the production of a single supersymmetric W-boson (''wino'', W) in combination with a supersymmetric neutrino (''sneutrino'', ν). These processes make it possible to search for electrons and winos with masses greater than the beam energy. Observation of these unusual events would distinctly indicate the production of new particles. The ASP detector was designed to be hermetic and to provide efficient event reconstruction for low multiplicity events. The detector is described and its performance is evaluated; it is found to be well-suited to this study. The data sample collected with the detector was thoroughly analyzed for evidence of single-electron events. The various possible background processes are considered and Monte Carlo calculations of the distributions from single selectron and single wino production are presented. Using this information an efficient off-line event selection process was developed, and it is described in detail. 82 refs., 41 figs., 4 tabs

Frontend electronics for high-precision single photo-electron timing using FPGA-TDCs

Energy Technology Data Exchange (ETDEWEB)

Cardinali, M., E-mail: cardinal@kph.uni-mainz.de [Institut für Kernphysik, Johannes Gutenberg-University Mainz, Mainz (Germany); Helmholtz Institut Mainz, Mainz (Germany); Dzyhgadlo, R.; Gerhardt, A.; Götzen, K.; Hohler, R.; Kalicy, G.; Kumawat, H.; Lehmann, D.; Lewandowski, B.; Patsyuk, M.; Peters, K.; Schepers, G.; Schmitt, L.; Schwarz, C.; Schwiening, J.; Traxler, M.; Ugur, C.; Zühlsdorf, M. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Darmstadt (Germany); Dodokhov, V.Kh. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Britting, A. [Friedrich Alexander-University of Erlangen-Nuremberg, Erlangen (Germany); and others

2014-12-01

The next generation of high-luminosity experiments requires excellent particle identification detectors which calls for Imaging Cherenkov counters with fast electronics to cope with the expected hit rates. A Barrel DIRC will be used in the central region of the Target Spectrometer of the planned PANDA experiment at FAIR. A single photo-electron timing resolution of better than 100 ps is required by the Barrel DIRC to disentangle the complicated patterns created on the image plane. R and D studies have been performed to provide a design based on the TRB3 readout using FPGA-TDCs with a precision better than 20 ps RMS and custom frontend electronics with high-bandwidth pre-amplifiers and fast discriminators. The discriminators also provide time-over-threshold information thus enabling walk corrections to improve the timing resolution. Two types of frontend electronics cards optimised for reading out 64-channel PHOTONIS Planacon MCP-PMTs were tested: one based on the NINO ASIC and the other, called PADIWA, on FPGA discriminators. Promising results were obtained in a full characterisation using a fast laser setup and in a test experiment at MAMI, Mainz, with a small scale DIRC prototype. - Highlights: • Frontend electronics for Cherenkov detectors have been developed. • FPGA-TDCs have been used for high precision timing. • Time over threshold has been utilised for walk correction. • Single photo-electron timing resolution less than 100 ps has been achieved.

Conditional Dispersive Readout of a CMOS Single-Electron Memory Cell

Science.gov (United States)

Schaal, S.; Barraud, S.; Morton, J. J. L.; Gonzalez-Zalba, M. F.

2018-05-01

Quantum computers require interfaces with classical electronics for efficient qubit control, measurement, and fast data processing. Fabricating the qubit and the classical control layer using the same technology is appealing because it will facilitate the integration process, improving feedback speeds and offering potential solutions to wiring and layout challenges. Integrating classical and quantum devices monolithically, using complementary metal-oxide-semiconductor (CMOS) processes, enables the processor to profit from the most mature industrial technology for the fabrication of large-scale circuits. We demonstrate a CMOS single-electron memory cell composed of a single quantum dot and a transistor that locks charge on the quantum-dot gate. The single-electron memory cell is conditionally read out by gate-based dispersive sensing using a lumped-element L C resonator. The control field-effect transistor (FET) and quantum dot are fabricated on the same chip using fully depleted silicon-on-insulator technology. We obtain a charge sensitivity of δ q =95 ×10-6e Hz-1 /2 when the quantum-dot readout is enabled by the control FET, comparable to results without the control FET. Additionally, we observe a single-electron retention time on the order of a second when storing a single-electron charge on the quantum dot at millikelvin temperatures. These results demonstrate first steps towards time-based multiplexing of gate-based dispersive readout in CMOS quantum devices opening the path for the development of an all-silicon quantum-classical processor.

A Computational Experiment on Single-Walled Carbon Nanotubes

Science.gov (United States)

Simpson, Scott; Lonie, David C.; Chen, Jiechen; Zurek, Eva

2013-01-01

A computational experiment that investigates single-walled carbon nanotubes (SWNTs) has been developed and employed in an upper-level undergraduate physical chemistry laboratory course. Computations were carried out to determine the electronic structure, radial breathing modes, and the influence of the nanotube's diameter on the…

Single and double ionization of gallium by electron impact

Indian Academy of Sciences (India)

Electron impact single and double ionization cross sections of gallium have been calcu- ... The experimental data on single ionization have been compared with the empirical and ..... and multiplication sign curve (¢¢¢) represent present.

Current developments in radiation chemistry

International Nuclear Information System (INIS)

Cooper, R.

2000-01-01

Full text: The theme of the 2000 Gordon Conference on Radiation Chemistry was 'diversity'. The range of topics covered was heralded by the opening presentations which went from the galactic to molecular biology, radiation chemistry and non thermal surface processes in the outer solar system to achievements and open challenges in DNA research. The rest of the conference reflected the extended usage of radiation chemistry -its processes and techniques - applied to a panorama of topics. The ability to generate either oxidising or reducing free radicals in known quantities has been the foundation stone on which all applications are based. In particular it is noticeable that biological systems have been attempted by an increasing number of workers, such as studies of biological ageing and also reactions of nitric oxide in biological environments. Electron transfer processes in proteins are straightforward applications of solvated electron chemistry even if the results are not straightforward in their interpretation. Other topics presented include, radiation chemical processes induced in: supercritical CO 2 , treatment of contaminated materials, 3-dimensional Fullerenes, zeolites and radiation catalysis. In material science, aspects of ions and excited states in polymers, conducting polymers, donor acceptor processes in photo curing, enhancement of photo-electron yields in doped silver halides- improvement of the photographic process, radiation chemistry in cages and bubbles are discussed. The fundamental aspects of radiation chemistry are not yet all worked out. Subpicosecond pulsed electron beam sources, some of them 'tabletop', are still being planned to probe the early events in radiation chemistry both in water and in organic solvents. There is still an interest in the chemistry produced by pre-solvated electrons and the processes induced by heavy ion radiolysis. The description of the relaxation of an irradiated system which contains uneven distributions of ions

Single electron capture in N^+ -(Ne, Kr, Xe) collisions

Science.gov (United States)

Reyes, Pedro G.; Castillo, Fermin; Martinez, Horacio

2001-05-01

Total cross sections for single electron capture of N^+ ions impinging on Ne, Kr and Xe were measured in the energy range of 1.5 to 5.0 keV. The electron capture cross sections for all the targets studied are found to be in excellent agreement with previous data in the low-energy range. The present data together with previous measurements give a general shape of the whole curve of single electron capture cross sections for the N^+ - Ne system. For the cases of N^+ - (Kr, Xe) systems, semiempirical calculation using the two-state approximation are in very good agreement with present cross sections data. Research supported by DGAPA IN-100392 and CONACyT 32175-E

Absolute beam-charge measurement for single-bunch electron beams

International Nuclear Information System (INIS)

Suwada, Tsuyoshi; Ohsawa, Satoshi; Furukawa, Kazuro; Akasaka, Nobumasa

2000-01-01

The absolute beam charge of a single-bunch electron beam with a pulse width of 10 ps and that of a short-pulsed electron beam with a pulse width of 1 ns were measured with a Faraday cup in a beam test for the KEK B-Factory (KEKB) injector linac. It is strongly desired to obtain a precise beam-injection rate to the KEKB rings, and to estimate the amount of beam loss. A wall-current monitor was also recalibrated within an error of ±2%. This report describes the new results for an absolute beam-charge measurement for single-bunch and short-pulsed electron beams, and recalibration of the wall-current monitors in detail. (author)

Electron Spin Resonance Experiments on a Single Electron in Silicon Implanted with Phosphorous

Science.gov (United States)

Luhman, Dwight R.; Nguyen, K.; Tracy, L. A.; Carr, S.; Borchardt, J.; Bishop, N.; Ten Eyck, G.; Pluym, T.; Wendt, J.; Lilly, M. P.; Carroll, M. S.

2015-03-01

In this talk we will discuss the results of our ongoing experiments involving electron spin resonance (ESR) on a single electron in a natural silicon sample. The sample consists of an SET, defined by lithographic polysilicon gates, coupled to nearby phosphorous donors. The SET is used to detect charge transitions and readout the spin of the electron being investigated with ESR. The measurements were done with the sample at dilution refrigerator temperatures in the presence of a 1.3 T magnetic field. We will present data demonstrating Rabi oscillations of a single electron in this system as well as measurements of the coherence time, T2. We will also discuss our results using these and various other pulsing schemes in the context of a donor-SET system. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

Experimental realization of a Szilard engine with a single electron.

Science.gov (United States)

Koski, Jonne V; Maisi, Ville F; Pekola, Jukka P; Averin, Dmitri V

2014-09-23

The most succinct manifestation of the second law of thermodynamics is the limitation imposed by the Landauer principle on the amount of heat a Maxwell demon (MD) can convert into free energy per single bit of information obtained in a measurement. We propose and realize an electronic MD based on a single-electron box operated as a Szilard engine, where kBT ln 2 of heat is extracted from the reservoir at temperature T per one bit of created information. The information is encoded in the position of an extra electron in the box.

Electronic spectrum of a deterministic single-donor device in silicon

International Nuclear Information System (INIS)

Fuechsle, Martin; Miwa, Jill A.; Mahapatra, Suddhasatta; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.

2013-01-01

We report the fabrication of a single-electron transistor (SET) based on an individual phosphorus dopant that is deterministically positioned between the dopant-based electrodes of a transport device in silicon. Electronic characterization at mK-temperatures reveals a charging energy that is very similar to the value expected for isolated P donors in a bulk Si environment. Furthermore, we find indications for bulk-like one-electron excited states in the co-tunneling spectrum of the device, in sharp contrast to previous reports on transport through single dopants

System approach to chemistry course

OpenAIRE

Lorina E. Kruglova; Valentina G. Derendyaeva

2010-01-01

The article considers the raise of chemistry profile for engineers and constructors training, discloses the system approach to chemistry course and singles out the most important modules from the course of general chemistry for construction industry.

Atom-at-a-time chemistry

International Nuclear Information System (INIS)

Nagame, Yuichiro

2009-01-01

Several techniques of the analytical chemistry in 'Atom-at-a-time chemistry' for transactinide elements have been developed. In this report a representative example in these techniques is introduced with the results. The contents are the single-atom chemistry, the chemical experiments on transactinide elements, liquid phase chemistry (the ion exchange behavior of Rutherfordium), gas phase chemistry (the chemistry of atomic No.112 element), and future development. (M.H.)

Adaptation of quantum chemistry software for the electronic structure calculations on GPU for solid-state systems

International Nuclear Information System (INIS)

Gusakov, V.E.; Bel'ko, V.I.; Dorozhkin, N.N.

2015-01-01

We report on adaptation of quantum chemistry software - Quantum Espresso and LASTO - for the electronic structure calculations for the complex solid-state systems on the GeForce series GPUs using the nVIDIA CUDA technology. Specifically, protective covering based on transition metal nitrides are considered. (authors)

Physics colloquium: Single-electron counting in quantum metrology and in statistical mechanics

CERN Multimedia

Geneva University

2011-01-01

GENEVA UNIVERSITY Ecole de physique Département de physique nucléaire et corspusculaire 24, quai Ernest-Ansermet 1211 Genève 4 Tél.: (022) 379 62 73 Fax: (022) 379 69 92olé   Lundi 17 octobre 2011 17h00 - Ecole de Physique, Auditoire Stueckelberg PHYSICS COLLOQUIUM « Single-electron counting in quantum metrology and in statistical mechanics » Prof. Jukka Pekola Low Temperature Laboratory, Aalto University Helsinki, Finland   First I discuss the basics of single-electron tunneling and its potential applications in metrology. My main focus is in developing an accurate source of single-electron current for the realization of the unit ampere. I discuss the principle and the present status of the so-called single- electron turnstile. Investigation of errors in transporting electrons one by one has revealed a wealth of observations on fundamental phenomena in mesoscopic superconductivity, including individual Andreev...

Per-Olov Löwdin - father of quantum chemistry

Science.gov (United States)

Brändas, Erkki J.

2017-09-01

During 2016, we celebrate the 100th anniversary of the birth of Per-Olov Löwdin. He was appointed to the first Lehrstuhl in quantum chemistry at Uppsala University in 1960. Löwdin introduced quantum chemistry as a field in its own right by formulating its goals, establishing fundamental concepts, like the correlation energy, the method of configuration interaction, reduced density matrices, natural spin orbitals, charge and bond order matrices, symmetric orthogonalisation, and generalised self-consistent fields. His exposition of partitioning technique and perturbation theory, wave and reaction operators and associated non-linear summation techniques, introduced mathematical rigour and deductive order in the interpretative organisation of the new field. He brought the first computer to Uppsala University and pioneered the initiation of 'electronic brains' and anticipated their significance for quantum chemistry. Perhaps his single most influential contribution to the field was his education of two generations of future faculty in quantum chemistry through Summer Schools in the Scandinavian Mountains, Winter Institutes at Sanibel Island in the Gulf of Mexico. Per-Olov Löwdin founded the book series Advances in Quantum Chemistry and the International Journal of Quantum Chemistry. The evolution of quantum chemistry is appraised, starting from a collection of cross-disciplinary applications of quantum mechanics to the technologically advanced and predominant field of today, virtually used in all branches of chemistry. The scientific work of Per-Olov Löwdin has been crucial for the development of this new important province of science.

Nonadiabaticity and single-electron transport driven by surface acoustic waves

DEFF Research Database (Denmark)

Flensberg, Karsten; Niu, Q.; Pustilnik, M.

1999-01-01

Single-electron transport driven by surface acoustic waves (SAW) through a narrow constriction, formed in a two-dimensional electron gas, is studied theoretically. Due to long-range Coulomb interaction, the tunneling coupling between the electron gas and the moving minimum of the SAW...

Digital processing with single electrons for arbitrary waveform generation of current

Science.gov (United States)

Okazaki, Yuma; Nakamura, Shuji; Onomitsu, Koji; Kaneko, Nobu-Hisa

2018-03-01

We demonstrate arbitrary waveform generation of current using a GaAs-based single-electron pump. In our experiment, a digital processing algorithm known as delta-sigma modulation is incorporated into single-electron pumping to generate a density-modulated single-electron stream, by which we demonstrate the generation of arbitrary waveforms of current including sinusoidal, square, and triangular waves with a peak-to-peak amplitude of approximately 10 pA and an output bandwidth ranging from dc to close to 1 MHz. The developed current generator can be used as the precise and calculable current reference required for measurements of current noise in low-temperature experiments.

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

Single electron-spin memory with a semiconductor quantum dot

International Nuclear Information System (INIS)

Young, Robert J; Dewhurst, Samuel J; Stevenson, R Mark; Atkinson, Paola; Bennett, Anthony J; Ward, Martin B; Cooper, Ken; Ritchie, David A; Shields, Andrew J

2007-01-01

We show storage of the circular polarization of an optical field, transferring it to the spin-state of an individual electron confined in a single semiconductor quantum dot. The state is subsequently read out through the electronically-triggered emission of a single photon. The emitted photon shares the same polarization as the initial pulse but has a different energy, making the transfer of quantum information between different physical systems possible. With an applied magnetic field of 2 T, spin memory is preserved for at least 1000 times more than the exciton's radiative lifetime

Introductory quantum chemistry

International Nuclear Information System (INIS)

Chandra, A.K.

1974-01-01

This book on quantum chemistry is primarily intended for university students at the senior undergraduate level. It serves as an aid to the basic understanding of the important concepts of quantum mechanics introduced in the field of chemistry. Various chapters of the book are devoted to the following : (i) Waves and quanta, (ii) Operator concept in quantum chemistry, (iii) Wave mechanics of some simple systems, (iv) Perturbation theory, (v) Many-electron atoms and angular momenta (vi) Molecular orbital theory and its application to the electronic structure of diatomic molecules, (vii) Chemical bonding in polyatomic molecules and (viii) Chemical applications of Hellmann-Feynman theorem. At the end of each chapter, a set of problems is given and the answers to these problems are given at the end of the book. (A.K.)

Tracing Single Electrons in a Disordered Polymer Film at Room Temperature.

Science.gov (United States)

Wilma, Kevin; Issac, Abey; Chen, Zhijian; Würthner, Frank; Hildner, Richard; Köhler, Jürgen

2016-04-21

The transport of charges lies at the heart of essentially all modern (opto-) electronic devices. Although inorganic semiconductors built the basis for current technologies, organic materials have become increasingly important in recent years. However, organic matter is often highly disordered, which directly impacts the charge carrier dynamics. To understand and optimize device performance, detailed knowledge of the transport mechanisms of charge carriers in disordered matter is therefore of crucial importance. Here we report on the observation of the motion of single electrons within a disordered polymer film at room temperature, using single organic chromophores as probe molecules. The migration of a single electron gives rise to a varying electric field in its vicinity, which is registered via a shift of the emission spectra (Stark shift) of a chromophore. The spectral shifts allow us to determine the electron mobility and reveal for each nanoenvironment a distinct number of different possible electron-transfer pathways within the rugged energy landscape of the disordered polymer matrix.

Size-dependent single electron transfer and semi-metal-to-insulator transitions in molecular metal oxide electronics

Science.gov (United States)

Balliou, Angelika; Bouroushian, Mirtat; Douvas, Antonios M.; Skoulatakis, George; Kennou, Stella; Glezos, Nikos

2018-07-01

All-inorganic self-arranged molecular transition metal oxide hyperstructures based on polyoxometalate molecules (POMs) are fabricated and tested as electronically tunable components in emerging electronic devices. POM hyperstructures reveal great potential as charging nodes of tunable charging level for molecular memories and as enhancers of interfacial electron/hole injection for photovoltaic stacks. STM, UPS, UV–vis spectroscopy and AFM measurements show that this functionality stems from the films’ ability to structurally tune their HOMO–LUMO levels and electron localization length at room temperature. By adapting POM nanocluster size in solution, self-doping and current modulation of four orders of magnitude is monitored on a single nanocluster on SiO2 at voltages as low as 3 Volt. Structurally driven insulator-to-semi-metal transitions and size-dependent current regulation through single electron tunneling are demonstrated and examined with respect to the stereochemical and electronic structure of the molecular entities. This extends the value of self-assembly as a tool for correlation length and electronic properties tuning and demonstrate POM hyperstructures’ plausibility for on-chip molecular electronics operative at room temperature.

Size-dependent single electron transfer and semi-metal-to-insulator transitions in molecular metal oxide electronics.

Science.gov (United States)

Balliou, Angelika; Bouroushian, Mirtat; Douvas, Antonios M; Skoulatakis, George; Kennou, Stella; Glezos, Nikos

2018-07-06

All-inorganic self-arranged molecular transition metal oxide hyperstructures based on polyoxometalate molecules (POMs) are fabricated and tested as electronically tunable components in emerging electronic devices. POM hyperstructures reveal great potential as charging nodes of tunable charging level for molecular memories and as enhancers of interfacial electron/hole injection for photovoltaic stacks. STM, UPS, UV-vis spectroscopy and AFM measurements show that this functionality stems from the films' ability to structurally tune their HOMO-LUMO levels and electron localization length at room temperature. By adapting POM nanocluster size in solution, self-doping and current modulation of four orders of magnitude is monitored on a single nanocluster on SiO 2 at voltages as low as 3 Volt. Structurally driven insulator-to-semi-metal transitions and size-dependent current regulation through single electron tunneling are demonstrated and examined with respect to the stereochemical and electronic structure of the molecular entities. This extends the value of self-assembly as a tool for correlation length and electronic properties tuning and demonstrate POM hyperstructures' plausibility for on-chip molecular electronics operative at room temperature.

Automated data collection in single particle electron microscopy

Science.gov (United States)

Tan, Yong Zi; Cheng, Anchi; Potter, Clinton S.; Carragher, Bridget

2016-01-01

Automated data collection is an integral part of modern workflows in single particle electron microscopy (EM) research. This review surveys the software packages available for automated single particle EM data collection. The degree of automation at each stage of data collection is evaluated, and the capabilities of the software packages are described. Finally, future trends in automation are discussed. PMID:26671944

Electron-ion correlation effects in ion-atom single ionization

Energy Technology Data Exchange (ETDEWEB)

Colavecchia, F.D.; Garibotti, C.R. [Centro Atomico Bariloche and Consejo Nacional de Investigaciones Cientificas y Tecnicas, 8400 San Carlos de Bariloche (Argentina); Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Av. Alem 1253, 8000 Bahia Blanca (Argentina)

2000-06-28

We study the effect of electron-ion correlation in single ionization processes of atoms by ion impact. We present a distorted wave model where the final state is represented by a correlated function solution of a non-separable three-body continuum Hamiltonian, that includes electron-ion correlation as coupling terms of the wave equation. A comparison of the electronic differential cross sections computed with this model with other theories and experimental data reveals that the influence of the electron-ion correlation is more significant for low energy emitted electrons. (author). Letter-to-the-editor.

Electron correlation in single-electron capture from helium by fast protons

International Nuclear Information System (INIS)

Purkait, M

2012-01-01

The differential and total cross sections for single charge exchange in p-He collisions have been calculated within the framework of four-body boundary corrected continuum intermediate state (BCCIS-4B) approximation. The effect of dynamic electron correlations is explicitly taken into account through the complete perturbation potentials.

Nonlinear and Nonsymmetric Single-Molecule Electronic Properties Towards Molecular Information Processing.

Science.gov (United States)

Tamaki, Takashi; Ogawa, Takuji

2017-09-05

This review highlights molecular design for nonlinear and nonsymmetric single-molecule electronic properties such as rectification, negative differential resistance, and switching, which are important components of future single-molecule information processing devices. Perspectives on integrated "molecular circuits" are also provided. Nonlinear and nonsymmetric single-molecule electronics can be designed by utilizing (1) asymmetric molecular cores, (2) asymmetric anchoring groups, (3) an asymmetric junction environment, and (4) asymmetric electrode materials. This review mainly focuses on the design of molecular cores.

Single-layer MoS2 electronics.

Science.gov (United States)

Lembke, Dominik; Bertolazzi, Simone; Kis, Andras

2015-01-20

CONSPECTUS: Atomic crystals of two-dimensional materials consisting of single sheets extracted from layered materials are gaining increasing attention. The most well-known material from this group is graphene, a single layer of graphite that can be extracted from the bulk material or grown on a suitable substrate. Its discovery has given rise to intense research effort culminating in the 2010 Nobel Prize in physics awarded to Andre Geim and Konstantin Novoselov. Graphene however represents only the proverbial tip of the iceberg, and increasing attention of researchers is now turning towards the veritable zoo of so-called "other 2D materials". They have properties complementary to graphene, which in its pristine form lacks a bandgap: MoS2, for example, is a semiconductor, while NbSe2 is a superconductor. They could hold the key to important practical applications and new scientific discoveries in the two-dimensional limit. This family of materials has been studied since the 1960s, but most of the research focused on their tribological applications: MoS2 is best known today as a high-performance dry lubricant for ultrahigh-vacuum applications and in car engines. The realization that single layers of MoS2 and related materials could also be used in functional electronic devices where they could offer advantages compared with silicon or graphene created a renewed interest in these materials. MoS2 is currently gaining the most attention because the material is easily available in the form of a mineral, molybdenite, but other 2D transition metal dichalcogenide (TMD) semiconductors are expected to have qualitatively similar properties. In this Account, we describe recent progress in the area of single-layer MoS2-based devices for electronic circuits. We will start with MoS2 transistors, which showed for the first time that devices based on MoS2 and related TMDs could have electrical properties on the same level as other, more established semiconducting materials. This

Electron-beam-induced fracture of Kevlar single fibers

International Nuclear Information System (INIS)

Dickinson, J.T.; Jensen, L.C.; Klakken, M.L.

1986-01-01

We examine the unique situation involving the exposure of polymers to both electron bombardment and mechanical stress. Under certain conditions, crack formation, crack growth, and fracture can occur due to this combination of stimuli. These studies relate to the performance of a number of materials under hostile environments such as space, plasma, and propulsion systems. In this paper we present our initial measurements on the response of single Kevlar fibers loaded in tension to bombardment by 3-keV electrons. We present evidence that the resulting electron-beam-induced fracture is due to bond breaking

CCl 4 chemistry on the magnetite selvedge of single-crystal hematite: competitive surface reactions

Science.gov (United States)

Adib, K.; Camillone, N., III; Fitts, J. P.; Rim, K. T.; Flynn, G. W.; Joyce, S. A.; Osgood, R. M., Jr.

2002-01-01

Temperature programmed reaction/desorption (TPR/D) studies were undertaken to characterize the surface chemistry which occurs between CCl 4 and the Fe 3O 4 (1 1 1) selvedge of single crystal α-Fe 2O 3 (0 0 0 1). Six separate desorption events are clearly observed and four desorbing species are identified: CCl 4, OCCl 2, C 2Cl 4 and FeCl 2. It is proposed that OCCl 2, CCl 4 and C 2Cl 4 are produced in reactions involving the same precursor, CCl 2. Three reaction paths compete for the CCl 2 precursor: oxygen atom abstraction (for OCCl 2), molecular recombinative desorption (for CCl 4) and associative desorption (for C 2Cl 4). During the TPR/D temperature ramp, the branching ratio is observed to depend upon temperature and the availability of reactive sites. The data are consistent with a rich site-dependent chemistry.

Single-Nanoparticle Resolved Biomimetic Long-Range Electron Transfer and Electrocatalysis of Mixed-Valence Nanoparticles

DEFF Research Database (Denmark)

Zhu, Nan; Hao, Xian; Ulstrup, Jens

2016-01-01

Long-range electron transfer (LRET) is a core elementary step in a wealth of processes central to chemistry and biology, including photosynthesis, respiration, and catalysis. In nature, biological catalysis is performed by enzymes. However, enzymes are structurally fragile and have limited stabil...

Probing Electron-Induced Bond Cleavage at the Single-Molecule Level Using DNA Origami Templates

DEFF Research Database (Denmark)

Keller, Adrian Clemens; Bald, Ilko; Rotaru, Alexandru

2012-01-01

Low-energy electrons (LEEs) play an important role in nanolithography, atmospheric chemistry, and DNA radiation damage. Previously, the cleavage of specific chemical bonds triggered by LEEs has been demonstrated in a variety of small organic molecules such as halogenated benzenes and DNA nucleoba...

Ultrafast electron microscopy: Instrument response from the single-electron to high bunch-charge regimes

Science.gov (United States)

Plemmons, Dayne A.; Flannigan, David J.

2017-09-01

We determine the instrument response of an ultrafast electron microscope equipped with a conventional thermionic electron gun and absent modifications beyond the optical ports. Using flat, graphite-encircled LaB6 cathodes, we image space-charge effects as a function of photoelectron-packet population and find that an applied Wehnelt bias has a negligible effect on the threshold levels (>103 electrons per pulse) but does appear to suppress blurring at the upper limits (∼105 electrons). Using plasma lensing, we determine the instrument-response time for 700-fs laser pulses and find that single-electron packets are laser limited (1 ps), while broadening occurs well below the space-charge limit.

Single-Molecule Chemistry with Surface- and Tip-Enhanced Raman Spectroscopy.

Science.gov (United States)

Zrimsek, Alyssa B; Chiang, Naihao; Mattei, Michael; Zaleski, Stephanie; McAnally, Michael O; Chapman, Craig T; Henry, Anne-Isabelle; Schatz, George C; Van Duyne, Richard P

2017-06-14

Single-molecule (SM) surface-enhanced Raman spectroscopy (SERS) and tip-enhanced Raman spectroscopy (TERS) have emerged as analytical techniques for characterizing molecular systems in nanoscale environments. SERS and TERS use plasmonically enhanced Raman scattering to characterize the chemical information on single molecules. Additionally, TERS can image single molecules with subnanometer spatial resolution. In this review, we cover the development and history of SERS and TERS, including the concept of SERS hot spots and the plasmonic nanostructures necessary for SM detection, the past and current methodologies for verifying SMSERS, and investigations into understanding the signal heterogeneities observed with SMSERS. Moving on to TERS, we cover tip fabrication and the physical origins of the subnanometer spatial resolution. Then, we highlight recent advances of SMSERS and TERS in fields such as electrochemistry, catalysis, and SM electronics, which all benefit from the vibrational characterization of single molecules. SMSERS and TERS provide new insights on molecular behavior that would otherwise be obscured in an ensemble-averaged measurement.

Failure of single electron descriptions of molecular orbital collision processes. [Electron promotion mechanism

Energy Technology Data Exchange (ETDEWEB)

Elston, S.B.

1978-01-01

Inner-shell excitation occurring in low and moderate (keV range) energy collisions between light atomic and ionic systems is frequently describable in terms of molecular promotion mechanisms, which were extensively explored both theoretically and experimentally. The bulk of such studies have concentrated on processes understandable through the use of single- and independent-electron models. Nonetheless, it is possible to find cases of inner-shell excitation in relatively simple collision systems which involve nearly simultaneous multiple-electron transitions and transitions induced by inherently two-electron interactions. Evidence for these many- and nonindependent-electron phenomena in inner-shell excitation processes and the importance of considering such effects in the interpretation of collisionally induced excitation spectra is discussed. 13 references.

Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules

International Nuclear Information System (INIS)

Wang Feng; Ma Xiaoguang; Selvam, Lalitha; Gribakin, Gleb; Surko, Clifford M

2012-01-01

The Doppler-shift spectra of the γ-rays from positron annihilation in molecules were determined by using the momentum distribution of the annihilation electron–positron pair. The effect of the positron wavefunction on spectra was analysed in a recent paper (Green et al 2012 New J. Phys. 14 035021). In this companion paper, we focus on the dominant contribution to the spectra, which arises from the momenta of the bound electrons. In particular, we use computational quantum chemistry models (Hartree–Fock with two basis sets and density functional theory (DFT)) to calculate the wavefunctions of the bound electrons. Numerical results are presented for noble gases and small molecules such as H 2 , N 2 , O 2 , CH 4 and CF 4 . The calculations reveal relatively small effects on the Doppler-shift spectra from the level of inclusion of electron correlation energy in the models. For atoms, the difference in the full-width at half-maximum of the spectra obtained using the Hartree–Fock and DFT models does not exceed 2%. For molecules the difference can be much larger, reaching 8% for some molecular orbitals. These results indicate that the predicted positron annihilation spectra for molecules are generally more sensitive to inclusion of electron correlation energies in the quantum chemistry model than the spectra for atoms are. (paper)

State selective single-electron capture in O6++Nacollisions

NARCIS (Netherlands)

Knoop, S; Keim, M; Ludde, HJ; Kirchner, T; Morgenstern, [No Value; Hoekstra, R

2005-01-01

Single-electron capture in O6+ + Na collisions at 1-9 keV/amu collision energy has been studied both experimentally and theoretically. Partial cross sections for electron capture into n = 5, 6, 7, 8 and n >= 9 have been obtained from target recoil momenta measured by the technique of MOTRIMS and are

Electron-induced chemistry in microhydrated sulfuric acid clusters

Czech Academy of Sciences Publication Activity Database

Lengyel, Jozef; Pysanenko, Andriy; Fárník, Michal

2017-01-01

Roč. 17, č. 22 (2017), s. 14171-14180 ISSN 1680-7324 R&D Projects: GA ČR(CZ) GA17-04068S Grant - others:Austrian Science Fund (FWF)(AT) M1983-N34 Institutional support: RVO:61388955 Keywords : induced aerosol formation * particle formation * atmospheric implication Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry

ELECTRONIC EDUCATIONAL RESOURCES FOR ONLINE SUPPORT OF MODERN CHEMISTRY CLASSES IN SPECIALIZED SCHOOL

Directory of Open Access Journals (Sweden)

Maria D. Tukalo

2013-09-01

Full Text Available This article contains material of some modern electronic educational resources that can be used via the Internet to support the modern chemistry classes in specialized school. It was drawn attention to the educational chemical experiments as means of knowledge; simulated key motivational characteristics to enhance students interest for learning subjects, their cognitive and practical activity in the formation of self-reliance and self-creative; commented forecasts for creating of conditions to enhance the creative potential of students in a modern learning environment.

Investigations of single-electron avalanches in a proportional drift tube

International Nuclear Information System (INIS)

Anderson, W.S.; Armitage, J.C.; Chevreau, P.; Heinrich, J.G.; Lu, C.; McDonald, I.; McDonald, K.T.; Miller, B.; Secrest, D.; Weckel, J.

1990-01-01

Detailed information on single-electron drift and avalanche behavior has a basic interest in an investigation of gas-chamber performance. Its timing, avalanche distribution, attachment by the working gas mixtures, etc., provide various criteria for choosing the best suitable gas mixture under a specific experimental circumstance. Investigations of single-electron avalanches in a proportional drift tube have been carried out with a pulsed N 2 laser. The study consists of two aspects: timing properties, and fluctuations in the gas avalanche

Electronic properties of pristine and modified single-walled carbon nanotubes

International Nuclear Information System (INIS)

Kharlamova, M V

2013-01-01

The current status of research on the electronic properties of filled single-walled carbon nanotubes (SWCNTs) is reviewed. SWCNT atomic structure and electronic properties are described, and their correlation is discussed. Methods for modifying the electronic properties of SWCNTs are considered. SWCNT filling materials are systematized. Experimental and theoretical data on the electronic properties of filled SWCNTs are analyzed. Possible application areas for filled SWCNTs are explored. (reviews of topical problems)

Theoretical chemistry in Belgium a topical collection from theoretical chemistry accounts

CERN Document Server

Champagne, Benoît; De Proft, Frank; Leyssens, Tom

2014-01-01

Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Extreme Ultraviolet (EUV) induced surface chemistry on Ru

NARCIS (Netherlands)

Liu, Feng; Sturm, Jacobus Marinus; Lee, Christopher James; Bijkerk, Frederik

2013-01-01

EUV photon induced surface chemistry can damage multilayer mirrors causing reflectivity loss and faster degradation. EUV photo chemistry involves complex processes including direct photon induced surface chemistry and secondary electron radiation chemistry. Current cleaning techniques include dry

Subelectron transport in single-electron-tunneling arrays

Science.gov (United States)

Kaplan, Daniel M.; Sverdlov, Victor A.; Likharev, Konstantin K.

2002-05-01

We have shown that a special distribution of background charges in islands of single-electron-tunneling arrays can completely suppress its Coulomb blockade and at the same time reduce substantially its shot noise at low applied voltages. In particular the Fano factor F can approach the minimum value Fmin=1/Nopalescence.

Single-Molecule Electronics: Chemical and Analytical Perspectives.

Science.gov (United States)

Nichols, Richard J; Higgins, Simon J

2015-01-01

It is now possible to measure the electrical properties of single molecules using a variety of techniques including scanning probe microcopies and mechanically controlled break junctions. Such measurements can be made across a wide range of environments including ambient conditions, organic liquids, ionic liquids, aqueous solutions, electrolytes, and ultra high vacuum. This has given new insights into charge transport across molecule electrical junctions, and these experimental methods have been complemented with increasingly sophisticated theory. This article reviews progress in single-molecule electronics from a chemical perspective and discusses topics such as the molecule-surface coupling in electrical junctions, chemical control, and supramolecular interactions in junctions and gating charge transport. The article concludes with an outlook regarding chemical analysis based on single-molecule conductance.

Compact femtosecond electron diffractometer with 100 keV electron bunches approaching the single-electron pulse duration limit

International Nuclear Information System (INIS)

Waldecker, Lutz; Bertoni, Roman; Ernstorfer, Ralph

2015-01-01

We present the design and implementation of a highly compact femtosecond electron diffractometer working at electron energies up to 100 keV. We use a multi-body particle tracing code to simulate electron bunch propagation through the setup and to calculate pulse durations at the sample position. Our simulations show that electron bunches containing few thousands of electrons per bunch are only weakly broadened by space-charge effects and their pulse duration is thus close to the one of a single-electron wavepacket. With our compact setup, we can create electron bunches containing up to 5000 electrons with a pulse duration below 100 fs on the sample. We use the diffractometer to track the energy transfer from photoexcited electrons to the lattice in a thin film of titanium. This process takes place on the timescale of few-hundred femtoseconds and a fully equilibrated state is reached within 1 ps

Properties of a GaAs Single Electron Path Switching Node Device Using a Single Quantum Dot for Hexagonal BDD Quantum Circuits

International Nuclear Information System (INIS)

Nakamura, Tatsuya; Abe, Yuji; Kasai, Seiya; Hasegawa, Hideki; Hashizume, Tamotsu

2006-01-01

A new single electron (SE) binary-decision diagram (BDD) node device having a single quantum dot connected to three nanowire branches through tunnel barriers was fabricated using etched AlGaAs/GaAs nanowires and nanometer-sized Schottky wrap gates (WPGs), and their operation was characterized experimentally, for the hexagonal BDD quantum circuit. Fabricated devices showed clear and steep single electron pass switching by applying only an input voltage signal, which was completely different from switching properties in the previous SE BDD node devices composed of two single electron switches. As the possible switching mechanism, the correlation between the probabilities of tunnelling thorough a single quantum dot in exit branches was discussed

Single-electron pulse-height spectra in thin-gap parallel-plate chambers

CERN Document Server

Fonte, Paulo J R; Peskov, Vladimir; Policarpo, Armando

1999-01-01

Single-electron pulse-height spectra were measured in 0.6 and 1.2 mm parallel-plate chambers developed for the TOF system of the ALICE /LHC-HI experiment. Mixtures of Ar with ethane, isobutane, and SF/sub 6/ were studied. The observed spectrum shows a clear peak for all gases, suggesting efficient single-electron detection in thin parallel-plate structures. The pulse-height spectrum can be described by the weighted sum of an exponential and a Polya distribution, the Polya contribution becoming more important at higher gains. Additionally, it was found that the maximum gain, above 10/sup 6/, is limited by the appearance of streamers and depends weakly on the gas composition. The suitability of each mixture for single-electron detection is also quantitatively assessed. (8 refs).

Single-electron tunneling in double-barrier nanostructures

International Nuclear Information System (INIS)

Goldman, V.J.; Su, B.; Cunningham, J.E.

1992-01-01

In this paper, the authors review experimental study of charge transport in nanometer double-barrier resonant tunneling devices. Heterostructure material is asymmetric: one barrier is substantially less transparent than the other. Resonant tunneling through size-quantized well states and single-electron charging of the well are thus largely separated in the two bias polarities. When the emitter barrier is more transparent than the collector barrier, electrons accumulate in the well; incremental electron occupation of the well is accompanied by Coulomb blockade leading to sharp steps of the tunneling current. When the emitter barrier is less transparent, the current reflects resonant tunneling of just one electron at a time through size-quantized well states; the current peaks and/or steps (depending on experimental parameters) appear in current-voltage characteristics. Magnetic field and temperature effects are also reviewed. Good agreement is achieved in comparison of many features of experimental data with simple theoretical models

Functionalization of single-walled carbon nanotubes with protein by click chemistry as sensing platform for sensitized electrochemical immunoassay

International Nuclear Information System (INIS)

Qi Honglan; Ling Chen; Huang Ru; Qiu Xiaoying; Shangguan Li; Gao Qiang; Zhang Chengxiao

2012-01-01

Highlights: ► Single-walled carbon nanotubes were functionalized with protein by click chemistry. ► The SWNTs conjugated with protein showed excellent dispersion in water and kept good bioacitvity. ► A competitive electrochemical immunoassay for the determination of anti-IgG was developed with high sensitivity and good stability. - Abstract: The application of the Cu(I)-catalyzed [3 + 2] Huisgen cycloaddition to the functionalization of single-walled carbon nanotubes (SWNTs) with the protein and the use of the artificial SWNTs as a sensing platform for sensitive immunoassay were reported. Covalent functionalization of azide decorated SWNTs with alkyne modified protein was firstly accomplished by the Cu(I)-catalyzed [3 + 2] Huisgen cycloaddition. FT-IR spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and transmission electron micrograph were used to characterize the protein-functionalized SWNTs. It was found that the SWNTs conjugated with the proteins showed excellent dispersion in water and kept good bioacitivity when immunoglobulin (IgG) and horseradish peroxidase (HRP) were chosen as model proteins. As a proof-of-concept, IgG-functionalized SWNTs were immobilized onto the surface of a glassy carbon electrode by simple casting method as immunosensing platform and a sensitive competitive electrochemical immunoassay was developed for the determination of anti-immunoglobulin (anti-IgG) using HRP as enzyme label. The fabrication of the immunosensor were characterized by cyclic voltammetry and electrochemical impedance spectroscopy with the redox probe [Fe(CN) 6 ] 3−/4− . The SWNTs as immobilization platform showed better sensitizing effect, a detection limit of 30 pg mL −1 (S/N = 3) was obtained for anti-IgG. The proposed strategy provided a stable immobilization method and sensitized recognition platform for analytes. This work demonstrated that the click coupling of SWNTs with protein was an effective

Surveys of research in the Chemistry Division, Argonne National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Grazis, B.M. [ed.

1992-11-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

Surveys of research in the Chemistry Division, Argonne National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Grazis, B.M. (ed.)

1992-01-01

Research reports are presented on reactive intermediates in condensed phase (radiation chemistry, photochemistry), electron transfer and energy conversion, photosynthesis and solar energy conversion, metal cluster chemistry, chemical dynamics in gas phase, photoionization-photoelectrons, characterization and reactivity of coal and coal macerals, premium coal sample program, chemical separations, heavy elements coordination chemistry, heavy elements photophysics/photochemistry, f-electron interactions, radiation chemistry of high-level wastes (gas generation in waste tanks), ultrafast molecular electronic devices, and nuclear medicine. Separate abstracts have been prepared. Accelerator activites and computer system/network services are also reported.

Dependence of actinide solid state chemistry and physics on the changing role of the 5f-electrons

International Nuclear Information System (INIS)

Haire, R.G.

1992-01-01

It is well established that the chemistry, physics, and material science of the actinides do not reflect perfectly a series of elements with a regular increase in the number of localized f-electrons (f-orbital occupation). This situation results from the changing role of the 5f-electrons across the series. Therefore, a full understanding of the properties of the individual elements necessitates an understanding of the series as a whole. The changing influence of the f-electrons is reflected in many of the actinide's properties. Systematic comparisons of selected high-temperature and high-pressure behaviors of actinide materials are discussed to demonstrate the variable nature and roles of the f-electrons, as well as their susceptibility to experimental parameters. (author)

Dependence of actinide solid state chemistry and physics on the changing role of the 5f-electrons

International Nuclear Information System (INIS)

Haire, R.G.

1992-01-01

It is well established that the chemistry, physics, and material science of the actinides do not reflect perfectly a series of elements with a regular increase in the number of localized f-electrons (f-orbital occupation). This situation results from the hanging role of the 5f-electrons across the series. Therefore, a full understanding of the properties of the individual elements necessitates an understanding of the series as a whole. The changing influence of the f-electrons is reflected in many of the actinide's properties. Systematic comparisons of selected high-temperature and high-pressure behaviors of actinide materials are discussed to demonstrate the variable nature and roles of the f-electrons, as well as their susceptibility to experimental parameters

Radiation chemistry and its application

International Nuclear Information System (INIS)

Majima, Tetsuro

2013-01-01

Effects of radiation to human body have been seriously discussed nowadays. These are important issues for the realization of sustainable society. It should be emphasized that various reactive intermediates generated by radiation play important roles in each cases. Radiation chemical studies will provide various reaction-mechanistic aspects on these important issues. Our research group has continuously carried out reaction-mechanistic studies using radiation chemical methods. From these studies, we have obtained a variety of results on basic molecular systems, reactions, materials that are close to practical application, biological systems and so on. Reactive species are generated from the radiation reactions in solution, and can be used as one-electron oxidative and reductive reagent to give selectively radical cation and anion of solute molecules such as various organic and inorganic molecules. Therefore, the radiation chemistry has contributed significantly to chemistry in which one-electron oxidation and reduction play the important role. The kinetics of such redox processes and the following reduction play the important role. The kinetics of such redox processes and the following reactions can be studied in real time with the transition absorption measurement by the pulse radiolysis technique. Even though the target compounds cannot be oxidized and reduced in chemical or electrochemical oxidation and reduction, their one-electron redox can be performed by the electron beam radiation. Therefore, radiation chemistry is very useful technique for basic science. Moreover, application potentials of radiation chemistry are so high for various research subjects. Moreover, application potentials of radiation chemistry are so high for various research subjects

Single-Electron and Single-Photon Sensitivity with a Silicon Skipper CCD

Science.gov (United States)

Tiffenberg, Javier; Sofo-Haro, Miguel; Drlica-Wagner, Alex; Essig, Rouven; Guardincerri, Yann; Holland, Steve; Volansky, Tomer; Yu, Tien-Tien

2017-09-01

We have developed ultralow-noise electronics in combination with repetitive, nondestructive readout of a thick, fully depleted charge-coupled device (CCD) to achieve an unprecedented noise level of 0.068 e- rms /pixel . This is the first time that discrete subelectron readout noise has been achieved reproducible over millions of pixels on a stable, large-area detector. This enables the contemporaneous, discrete, and quantized measurement of charge in pixels, irrespective of whether they contain zero electrons or thousands of electrons. Thus, the resulting CCD detector is an ultra-sensitive calorimeter. It is also capable of counting single photons in the optical and near-infrared regime. Implementing this innovative non-destructive readout system has a negligible impact on CCD design and fabrication, and there are nearly immediate scientific applications. As a particle detector, this CCD will have unprecedented sensitivity to low-mass dark matter particles and coherent neutrino-nucleus scattering, while future astronomical applications may include direct imaging and spectroscopy of exoplanets.

Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

Science.gov (United States)

Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

2008-11-01

Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

Electron transfer behaviour of biological macromolecules towards the single-molecule level

DEFF Research Database (Denmark)

Zhang, Jingdong; Grubb, Mikala; Hansen, Allan Glargaard

2003-01-01

is combined with state-of-the-art physical electrochemistry with emphasis on single-crystal, atomically planar electrode surfaces, in situ scanning tunnelling microscopy (STM) and other surface techniques. These approaches have brought bioelectrochemistry important steps forward towards the nanoscale...... and single-molecule levels.We discuss here these advances with reference to two specific redox metalloproteins, the blue single-copper protein Pseudomonas aeruginosa azurin and the single-haem protein Saccharomyces cerevisiae yeast cytochrome c, and a short oligonucleotide. Both proteins can be immobilized...... electron transfer (ET) function retained. In situ STM can also address the microscopic mechanisms for electron tunnelling through the biomolecules and offers novel notions such as coherent multi-ET between the substrate and tip via the molecular redox levels. This differs in important respects from...

Two-Electron Transfer Pathways.

Science.gov (United States)

Lin, Jiaxing; Balamurugan, D; Zhang, Peng; Skourtis, Spiros S; Beratan, David N

2015-06-18

The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through high barriers, where the probability for thermal population of oxidized or reduced bridge-localized states is very small, the electrons will tunnel from the donor (D) to acceptor (A), facilitated by bridge-mediated superexchange interactions. If the stable donor and acceptor redox states on D and A differ by two electrons, it is possible that the electrons will propagate coherently from D to A. While structure-function relations for single-electron superexchange in molecules are well established, strategies to manipulate the coherent flow of multiple electrons are largely unknown. In contrast to one-electron superexchange, two-electron superexchange involves both one- and two-electron virtual intermediate states, the number of virtual intermediates increases very rapidly with system size, and multiple classes of pathways interfere with one another. In the study described here, we developed simple superexchange models for two-electron transfer. We explored how the bridge structure and energetics influence multielectron superexchange, and we compared two-electron superexchange interactions to single-electron superexchange. Multielectron superexchange introduces interference between singly and doubly oxidized (or reduced) bridge virtual states, so that even simple linear donor-bridge-acceptor systems have pathway topologies that resemble those seen for one-electron superexchange through bridges with multiple parallel pathways. The simple model systems studied here exhibit a richness that is amenable to experimental exploration by manipulating the multiple pathways, pathway crosstalk, and changes in the number of donor and acceptor species. The features that emerge from these studies may assist in developing new strategies to deliver multiple

Electron-impact single and double ionization of W

International Nuclear Information System (INIS)

Pindzola, M S; Loch, S D; Foster, A R

2017-01-01

Electron-impact single and double ionization cross sections for the W atom are calculated using a semi-relativistic distorted-wave method. The cross sections include contributions from single direct ionization, double direct ionization and excitation-autoionization. Branching ratio calculations are made to determine whether an excitation may contribute to single or double ionization. We check the accuracy of the semi-relativistic distorted-wave calculations for direct ionization of various subshells by comparison with fully-relativistic distorted-wave calculations. We also check the accuracy of the perturbative distorted-wave calculations for direct ionization of the outer most subshells by comparison with non-perturbative time-dependent close-coupling calculations. (paper)

Behavioral changes induced by single and multiple electron beam pulses

International Nuclear Information System (INIS)

Pease, V.P.; McNulty, P.J.

1985-01-01

The effects of single, and low-dose, high-dose-rate and multiple electron beam pulses on passive avoidance behavior in mice were studied. Passive avoidance was measured by recording the time that an animal took to enter a chamber from a narrow platform. There were four conditions in the experiment: (1) no shock no radiation-control, (2) radiation only, (3) shock only, and (4) radiation plus shock. Forty animals were run for each data point. Dose rate was held constant at 9 x 10/sup 7/ rads/sec. Average doses for the two single pulses were 7.18 and 8.72 rads. The average total dose for a 25 pulse per second condition was 324.0 rads. The differences between the single versus multiple pulse radiation-only conditions were significant with longer avoidance latencies in the multiple pulse condition. Avoidance latencies were also significantly longer in the shock plus radiation condition for the multiple beam pulse than the single pulse. It is concluded that single and multiple electron beam pulses significantly effect behavior, in this case producing avoidance

Single-molecule electronics: Cooling individual vibrational modes by the tunneling current.

Science.gov (United States)

Lykkebo, Jacob; Romano, Giuseppe; Gagliardi, Alessio; Pecchia, Alessandro; Solomon, Gemma C

2016-03-21

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, which typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular "heat sink" where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the "cooling mode," given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.

Simulation of single-electron tunnelling circuits using SPICE

NARCIS (Netherlands)

Van de Haar, R.

2004-01-01

Single-electron tunnelling (SET) devices have very promising properties, like their extremely low power consumption, their extremely high switching speeds and their extremely small physical dimensions. Since the field of SET devices is far from being fully exploited, and their device properties seem

Repetitive readout of a single electronic spin via quantum logic with nuclear spin ancillae.

Science.gov (United States)

Jiang, L; Hodges, J S; Maze, J R; Maurer, P; Taylor, J M; Cory, D G; Hemmer, P R; Walsworth, R L; Yacoby, A; Zibrov, A S; Lukin, M D

2009-10-09

Robust measurement of single quantum bits plays a key role in the realization of quantum computation and communication as well as in quantum metrology and sensing. We have implemented a method for the improved readout of single electronic spin qubits in solid-state systems. The method makes use of quantum logic operations on a system consisting of a single electronic spin and several proximal nuclear spin ancillae in order to repetitively readout the state of the electronic spin. Using coherent manipulation of a single nitrogen vacancy center in room-temperature diamond, full quantum control of an electronic-nuclear system consisting of up to three spins was achieved. We took advantage of a single nuclear-spin memory in order to obtain a 10-fold enhancement in the signal amplitude of the electronic spin readout. We also present a two-level, concatenated procedure to improve the readout by use of a pair of nuclear spin ancillae, an important step toward the realization of robust quantum information processors using electronic- and nuclear-spin qubits. Our technique can be used to improve the sensitivity and speed of spin-based nanoscale diamond magnetometers.

Experimental study of single-electron loss by Ar+ ions in rare-gas atoms

Science.gov (United States)

Reyes, P. G.; Castillo, F.; Martínez, H.

2001-04-01

Absolute differential and total cross sections for single-electron loss were measured for Ar+ ions on rare-gas atoms in the laboratory energy range of 1.5 to 5.0 keV. The electron loss cross sections for all the targets studied are found to be in the order of magnitude between 10-19 and 10-22 cm2, and show a monotonically increasing behaviour as a function of the incident energy. The behaviour of the total single-electron loss cross sections with the atomic target number, Zt, shows different dependences as the collision energy increases. In all cases the present results display experimental evidence of saturation in the single-electron loss cross section as the atomic number of the target increases.

GAGG:ce single crystalline films: New perspective scintillators for electron detection in SEM.

Science.gov (United States)

Bok, Jan; Lalinský, Ondřej; Hanuš, Martin; Onderišinová, Zuzana; Kelar, Jakub; Kučera, Miroslav

2016-04-01

Single crystal scintillators are frequently used for electron detection in scanning electron microscopy (SEM). We report gadolinium aluminum gallium garnet (GAGG:Ce) single crystalline films as a new perspective scintillators for the SEM. For the first time, the epitaxial garnet films were used in a practical application: the GAGG:Ce scintillator was incorporated into a SEM scintillation electron detector and it showed improved image quality. In order to prove the GAGG:Ce quality accurately, the scintillation properties were examined using electron beam excitation and compared with frequently used scintillators in the SEM. The results demonstrate excellent emission efficiency of the GAGG:Ce single crystalline films together with their very fast scintillation decay useful for demanding SEM applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Radiation chemistry

International Nuclear Information System (INIS)

Swallow, A.J.

1983-01-01

The subject is covered in chapters, entitled: introduction (defines scope of article as dealing with the chemistry of reactive species, (e.g. excess electrons, excited states, free radicals and inorganic ions in unusual valency states) as studied using radiation with radiation chemistry in its traditional sense and with biological and industrial applications); gases; water and simple inorganic systems; aqueous metallo-organic compounds and metalloproteins; small organic molecules in aqueous solution; microheterogeneous systems; non-aqueous liquids and solutions; solids; biological macromolecules; synthetic polymers. (U.K.)

GAGG:ce single crystalline films: New perspective scintillators for electron detection in SEM

International Nuclear Information System (INIS)

Bok, Jan; Lalinský, Ondřej; Hanuš, Martin; Onderišinová, Zuzana; Kelar, Jakub; Kučera, Miroslav

2016-01-01

Single crystal scintillators are frequently used for electron detection in scanning electron microscopy (SEM). We report gadolinium aluminum gallium garnet (GAGG:Ce) single crystalline films as a new perspective scintillators for the SEM. For the first time, the epitaxial garnet films were used in a practical application: the GAGG:Ce scintillator was incorporated into a SEM scintillation electron detector and it showed improved image quality. In order to prove the GAGG:Ce quality accurately, the scintillation properties were examined using electron beam excitation and compared with frequently used scintillators in the SEM. The results demonstrate excellent emission efficiency of the GAGG:Ce single crystalline films together with their very fast scintillation decay useful for demanding SEM applications. - Highlights: • First practical application of epitaxial garnet films demonstrated in SEM. • Improved image quality of SEM equipped with GAGG:Ce single crystalline thin film scintillator. • Scintillation properties of GAGG:Ce films compared with standard bulk crystal scintillators.

Inelastic electron tunneling spectroscopy of a single nuclear spin.

Science.gov (United States)

Delgado, F; Fernández-Rossier, J

2011-08-12

Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of inelastic electron tunneling spectroscopy (IETS). We consider two different systems, a magnetic adatom probed with scanning tunneling microscopy and a single Bi dopant in a silicon nanotransistor. We find that the hyperfine coupling opens new transport channels which can be resolved at experimentally accessible temperatures. Our simulations evince that IETS yields information about the occupations of the nuclear spin states, paving the way towards transport-detected single nuclear spin resonance.

Mechanism of enhancement of controllable secondary-electron emission from fast single electrons

International Nuclear Information System (INIS)

Lorikyan, M.P.; Kavalov, R.L.; Trofimchuk, N.N.; Arvanov, A.N.; Gavalyan, V.G.

For porous KCl films (density approximately 2 percent, thickness 50-400 μm), the controllable secondary electron emission (CSEE) from fast single electrons with energies of 0.7-2 MeV was studied. An electric field E of approximately 10 4 -10 5 V/cm was set up inside the porous films and the emission curves anti sigma = f(E) and the energy spectra of the secondary electrons were measured. The mean emission coefficient anti sigma increases with increasing E, reaching a value of anti sigma approximately equal to 230. Internal enhancement of CSEE under the action of the E field is explained by a process similar to the Townsend semi-self-maintained discharge in gases. The mean free path L/sub e/ of the secondary electrons estimated on the basis of this mechanism of CSEE enhancement is in good agreement with the L/sub e/ value obtained independently from the energy spectra of the secondary electrons. The report examines the effect of the first critical potential U/sub il/ and of the electron affinity of the dielectric α on the formation of CSEE from a porous dielectric film. The possibility of using such films in particle detectors is discussed

Imaging single atoms using secondary electrons with an aberration-corrected electron microscope.

Science.gov (United States)

Zhu, Y; Inada, H; Nakamura, K; Wall, J

2009-10-01

Aberration correction has embarked on a new frontier in electron microscopy by overcoming the limitations of conventional round lenses, providing sub-angstrom-sized probes. However, improvement of spatial resolution using aberration correction so far has been limited to the use of transmitted electrons both in scanning and stationary mode, with an improvement of 20-40% (refs 3-8). In contrast, advances in the spatial resolution of scanning electron microscopes (SEMs), which are by far the most widely used instrument for surface imaging at the micrometre-nanometre scale, have been stagnant, despite several recent efforts. Here, we report a new SEM, with aberration correction, able to image single atoms by detecting electrons emerging from its surface as a result of interaction with the small probe. The spatial resolution achieved represents a fourfold improvement over the best-reported resolution in any SEM (refs 10-12). Furthermore, we can simultaneously probe the sample through its entire thickness with transmitted electrons. This ability is significant because it permits the selective visualization of bulk atoms and surface ones, beyond a traditional two-dimensional projection in transmission electron microscopy. It has the potential to revolutionize the field of microscopy and imaging, thereby opening the door to a wide range of applications, especially when combined with simultaneous nanoprobe spectroscopy.

Effects of overheating in a single-electron transistor

DEFF Research Database (Denmark)

Korotkov, A. N.; Samuelsen, Mogens Rugholm; Vasenko, S. A.

1994-01-01

Heating of a single-electron transistor (SET) caused by the current flowing through it is considered. The current and the temperature increase should be calculated self-consistently taking into account various paths of the heat drain. Even if there is no heat drain from the central electrode...

Metal-nanoparticle single-electron transistors fabricated using electromigration

DEFF Research Database (Denmark)

Bolotin, K I; Kuemmeth, Ferdinand; Pasupathy, A N

2004-01-01

We have fabricated single-electron transistors from individual metal nanoparticles using a geometry that provides improved coupling between the particle and the gate electrode. This is accomplished by incorporating a nanoparticle into a gap created between two electrodes using electromigration, all...... on top of an oxidized aluminum gate. We achieve sufficient gate coupling to access more than ten charge states of individual gold nanoparticles (5–15 nm in diameter). The devices are sufficiently stable to permit spectroscopic studies of the electron-in-a-box level spectra within the nanoparticle as its...

Supramolecular Nanoparticles via Single-Chain Folding Driven by Ferrous Ions.

Science.gov (United States)

Wang, Fei; Pu, Hongting; Jin, Ming; Wan, Decheng

2016-02-01

Single-chain nanoparticles can be obtained via single-chain folding assisted by intramolecular crosslinking reversibly or irreversibly. Single-chain folding is also an efficient route to simulate biomacromolecules. In present study, poly(N-hydroxyethylacrylamide-co-4'-(propoxy urethane ethyl acrylate)-2,2':6',2''-terpyridine) (P(HEAm-co-EMA-Tpy)) is synthesized via reversible addition fragmentation chain transfer polymerization. Single-chain folding and intramolecular crosslinking of P(HEAm-co-EMA-Tpy) are achieved via metal coordination chemistry. The intramolecular interaction is characterized on ultraviolet/visible spectrophotometer (UV-vis spectroscopy), proton nuclear magnetic resonance ((1)H NMR), and differential scanning calorimetry (DSC). The supramolecular crosslinking mediated by Fe(2+) plays an important role in the intramolecular collapsing of the single-chain and the formation of the nanoparticles. The size and morphology of the nanoparticles can be controlled reversibly via metal coordination chemistry, which can be characterized by dynamic light scattering (DLS), transmission electron microscope (TEM), and atomic force microscope (AFM). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Misconception of pre-service chemistry teachers about the concept of resonances in organic chemistry course

Science.gov (United States)

Widarti, Hayuni Retno; Retnosari, Rini; Marfu'ah, Siti

2017-08-01

A descriptive quantitative research has been done to identify the level of understanding and misconceptions of the pre-service chemistry teachers related to the concept of resonance in the organic chemistry course. The subjects of the research were 51 students of State University of Malang, majoring Chemistry Education, currently in their fourth semester, 2015-2016 academic year who have taken the course of Organic Chemistry I. The instruments used in this research is a combination of 8 numbers of multiple choice tests with open answer questions and certainty of response index (CRI). The research findings revealed that there are still misconceptions found in the organic chemistry course, especially about the concept of resonance. There were several misconceptions of the pre-service chemistry teachers, such as resonance structures are in equilibrium with each other; resonance structures are two or more Lewis structures with different in arrangement of both atom and electron; resonance structures are only structures containing charged atoms; formal charge and resonance structures are not related; and the stability of resonance structures are only determined by location of charges in atoms found in such structures. There is also a lack of understanding of curved arrows notation to show electron pair movement.

Scintillation of lead tungstate crystal studied with single-electron beam from KUFEL

Energy Technology Data Exchange (ETDEWEB)

Rizwan, Mohamad, E-mail: rizwan@nucl.kyushu-u.ac.jp; Uozumi, Yusuke; Matsuo, Kazuki [Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, Fukuoka (Japan); Ohgaki, Hideaki; Kii, Toshiteru; Zen, Heishun [Institute of Advanced Energy, Kyoto University, Gokasho, Uji, Kyoto (Japan); Tsamalaidze, Zviadi; Evtoukhovitch, Petr; Valentin, Samoilov [Joint Institute for Nuclear Research, JINR, Joliot-Curie Str.6, Dubna (Russian Federation)

2015-04-29

Lead tungstate (PWO) crystal has a very fast response, high atomic density and high radiation hardness. Therefore, they are suitable to be used for high-energy nuclear data measurements under high-background circumstances. Although a good electron-ion separation with a pulse shape analysis technique is essential, scintillation pulse shapes have not been observed with electron beams of a wide energy range. A single-electron beam technique has been developed at Kyoto University Free Electron Laser (KUFEL), and electron beams of 4-38 MeV are available. During the experiments, single electron beams bombarded a PWO crystal. By using oscilloscope we observed scintillation pulses of a PWO crystal coupled with a photomultiplier tube. Measured spectra were compared with the simulation code of EGS5 to analyze scattering effects. As the result, the pulse amplitudes show good linearity and the pulse shapes are almost constant in the observed energy range.

Ionization and single electron capture in collision of highly charged Ar16+ ions with helium

International Nuclear Information System (INIS)

Wang Fei; Gou Bingcong

2008-01-01

This paper uses the two-centre atomic orbital close-coupling method to study the ionization and the single electron capture in collision of highly charged Ar 16+ ions with He atoms in the velocity range of 1.2–1.9 a.u. The relative importance of single ionization (SI) to single capture (SC) is explored. The comparison between the calculation and experimental data shows that the SI/SC cross section ratios from this work are in good agreement with experimental data. The total single electron ionization cross sections and the total single electron capture cross sections are also given for this collision. The investigation of the partial electron capture cross section shows a general tendency of capture to larger n and l with increasing velocity from 1.2 to 1.9 a.u

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Science.gov (United States)

Sousa, Maria Emília; Araújo, Maria João; do Vale, Maria Luísa; Andrade, Paula B.; Branco, Paula; Gomes, Paula; Moreira, Rui; Pinho e Melo, Teresa M.V.D.; Freitas, Victor

2016-01-01

For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report. PMID:27102166

11th National Meeting of Organic Chemistry and 4th Meeting of Therapeutic Chemistry

Directory of Open Access Journals (Sweden)

Maria Emília Sousa

2016-03-01

Full Text Available For the first time under the auspices of Sociedade Portuguesa de Química, the competences of two important fields of Chemistry are brought together into a single event, the 11st National Organic Chemistry Meeting and the the 4th National Medicinal Chemistry Meeting, to highlight complementarities and to promote new synergies. Abstracts of plenary lectures, oral communications, and posters presented during the meeting are collected in this report.

Analysis of Co-Tunneling Current in Fullerene Single-Electron Transistor

Science.gov (United States)

KhademHosseini, Vahideh; Dideban, Daryoosh; Ahmadi, MohammadTaghi; Ismail, Razali

2018-05-01

Single-electron transistors (SETs) are nano devices which can be used in low-power electronic systems. They operate based on coulomb blockade effect. This phenomenon controls single-electron tunneling and it switches the current in SET. On the other hand, co-tunneling process increases leakage current, so it reduces main current and reliability of SET. Due to co-tunneling phenomenon, main characteristics of fullerene SET with multiple islands are modelled in this research. Its performance is compared with silicon SET and consequently, research result reports that fullerene SET has lower leakage current and higher reliability than silicon counterpart. Based on the presented model, lower co-tunneling current is achieved by selection of fullerene as SET island material which leads to smaller value of the leakage current. Moreover, island length and the number of islands can affect on co-tunneling and then they tune the current flow in SET.

Connections between radiation and positronium chemistry

International Nuclear Information System (INIS)

Hirade, Tetsuya

2007-01-01

Some of the important connections between radiation chemistry and positronium chemistry started from the establishment of the spur reaction model proposed by Mogensen. Now, the modified model, the blob model proposed by Stepanov and Byakov, is making it possible to have the quantitative or semi-quantitative view of the positronium formation by using the distributions of positrons and excess electrons. Some of the interesting topics will be picked up here to understand the connections between radiation chemistry and positronium chemistry

Trapped electrons in irradiated single crystals of polyhydroxy compounds

International Nuclear Information System (INIS)

Box, H.C.; Budzinski, E.E.; Freund, H.G.; Potter, W.R.

1979-01-01

The intermolecular trapping of electrons has been observed in single crystals of dulcitol and L(+) arabinose x-irradiated at 4.2 0 K. Attribution of a major component of the ESR absorption to trapped electrons is based upon the character of the hyperfine pattern, which arises from multiple anisotropic hyperfine interactions with exchangeable protons, and on the g value of the absorption, which is always less than the free spin value. The removal of the trapped electron absorption upon irradiation with visible light has also been demonstrated. In these experiments all of the electrons are trapped in identical sites. This circumstance provides some important advantages in the study of the factors affecting the stabilization of charge in an environment of polarizable molecules

Electronic transport properties of pentacene single crystals upon exposure to air

NARCIS (Netherlands)

Jurchescu, OD; Baas, J; Palstra, TTM; Jurchescu, Oana D.

2005-01-01

We report the effect of air exposure on the electronic properties of pentacene single crystals. Air can diffuse reversibly in and out of the crystals and influences the physical properties. We discern two competing mechanisms that modulate the electronic transport. The presence of oxygen increases

Electron-assisted magnetization tunneling in single spin systems

Science.gov (United States)

Balashov, Timofey; Karlewski, Christian; Märkl, Tobias; Schön, Gerd; Wulfhekel, Wulf

2018-01-01

Magnetic excitations of single atoms on surfaces have been widely studied experimentally in the past decade. Lately, systems with unprecedented magnetic stability started to emerge. Here, we present a general theoretical investigation of the stability of rare-earth magnetic atoms exposed to crystal or ligand fields of various symmetry and to exchange scattering with an electron bath. By analyzing the properties of the atomic wave function, we show that certain combinations of symmetry and total angular momentum are inherently stable against first or even higher-order interactions with electrons. Further, we investigate the effect of an external magnetic field on the magnetic stability.

ESR Experiments on a Single Donor Electron in Isotopically Enriched Silicon

Science.gov (United States)

Tracy, Lisa; Luhman, Dwight; Carr, Stephen; Borchardt, John; Bishop, Nathaniel; Ten Eyck, Gregory; Pluym, Tammy; Wendt, Joel; Witzel, Wayne; Blume-Kohout, Robin; Nielsen, Erik; Lilly, Michael; Carroll, Malcolm

In this talk we will discuss electron spin resonance experiments in single donor silicon qubit devices fabricated at Sandia National Labs. A self-aligned device structure consisting of a polysilicon gate SET located adjacent to the donor is used for donor electron spin readout. Using a cryogenic HEMT amplifier next to the silicon device, we demonstrate spin readout at 100 kHz bandwidth and Rabi oscillations with 0.96 visibility. Electron spin resonance measurements on these devices show a linewidth of 30 kHz and coherence times T2* = 10 us and T2 = 0.3 ms. We also discuss estimates of the fidelity of our donor electron spin qubit measurements using gate set tomography. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. ESR Experiments on a Single Donor Electron in Isotopically Enriched Silicon.

Photoinduced electron transfer in singly labeled thiouredopyrenetrisulfonate azurin derivatives

DEFF Research Database (Denmark)

Borovok, N; Kotlyar, A B; Pecht, I

1999-01-01

efficiency. TUPS derivatives of azurin, singly labeled at specific lysine residues, were prepared and purified to homogeneity by ion exchange HPLC. Transient absorption spectroscopy was used to directly monitor the rates of the electron transfer reaction from the photoexcited triplet state of TUPS to Cu......A novel method for the initiation of intramolecular electron transfer reactions in azurin is reported. The method is based on laser photoexcitation of covalently attached thiouredopyrenetrisulfonate (TUPS), the reaction that generates the low potential triplet state of the dye with high quantum......(II) and the back reaction from Cu(I) to the oxidized dye. For all singly labeled derivatives, the rate constants of copper ion reduction were one or two orders of magnitude larger than for its reoxidation, consistent with the larger thermodynamic driving force for the former process. Using 3-D coordinates...

Organic field-effect transistors using single crystals

International Nuclear Information System (INIS)

Hasegawa, Tatsuo; Takeya, Jun

2009-01-01

Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. (topical review)

Chemistry Division annual progress report for period ending January 31, 1986

Energy Technology Data Exchange (ETDEWEB)

1986-05-01

This report has been indexed by 11 separate chapters. The subjects covered are: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, materials chemistry, chemistry of transuranium elements and compounds, separations chemistry, catalysis, electron spectroscopy, nuclear waste chemistry, heuristic modeling, and special topics. (PLG)

Chemistry Division annual progress report for period ending January 31, 1986

International Nuclear Information System (INIS)

1986-05-01

This report has been indexed by 11 separate chapters. The subjects covered are: coal chemistry, aqueous chemistry at high temperatures and pressures, geochemistry, materials chemistry, chemistry of transuranium elements and compounds, separations chemistry, catalysis, electron spectroscopy, nuclear waste chemistry, heuristic modeling, and special topics

Doubly differential single and multiple ionization of krypton by electron impact

International Nuclear Information System (INIS)

Lucio, O. G. de; Gavin, J.; DuBois, R. D.

2007-01-01

Differential measurements for single and multiple ionization of Kr by 240 and 500 eV electron impact are presented. Using a pulsed extraction field, Kr + , Kr 2+ , and Kr 3+ ions were measured in coincidence with scattered electrons for energy losses up to 120 eV and scattering angles between 16 degree sign and 90 degree sign . Scaling properties of the doubly differential cross sections (DDCS) are investigated as a function of energy loss, scattering angle, and momentum transfer. It is shown that scaling the DDCS as outlined by Kim and Inokuti and plotting them versus a parameter consisting of the momentum transfer divided by the square root of the impact energy times 1-cos(θ), where θ is the scattering angle, yielded similar curves, but with different magnitudes, for single and multiple ionization. Normalizing these curves together produced two universal curves, one appropriate for single and multiple electron emission at larger scattering angles (θ≥30 degree sign ) and one appropriate for small scattering angles (θ<30 degree sign )

Molecular tips for scanning tunneling microscopy: intermolecular electron tunneling for single-molecule recognition and electronics.

Science.gov (United States)

Nishino, Tomoaki

2014-01-01

This paper reviews the development of molecular tips for scanning tunneling microscopy (STM). Molecular tips offer many advantages: first is their ability to perform chemically selective imaging because of chemical interactions between the sample and the molecular tip, thus improving a major drawback of conventional STM. Rational design of the molecular tip allows sophisticated chemical recognition; e.g., chiral recognition and selective visualization of atomic defects in carbon nanotubes. Another advantage is that they provide a unique method to quantify electron transfer between single molecules. Understanding such electron transfer is mandatory for the realization of molecular electronics.

Single- and double-electron detachment in collisions of two negative hydrogen ions

International Nuclear Information System (INIS)

Melchert, F.; Schulze, R.; Kruedener, S.; Meuser, S.; Salzborn, E.

1995-01-01

Employing the crossed-beams technique in conjunction with a beam-pulsing method, we have measured absolute cross sections σ tot for the process H - + H - → H O +... for CM energies between 2.5 and 100 keV. Combining the present results with our previously measured cross sections for double-electron detachment (σ OO ) and triple-electron detachment (σ 0+ ), we obtain cross sections σ 0- for the single electron detachment process from the relation σ 0- = σ tot -σ 00 -σ 0+ . The experimental data of single- and double-electron detachment are well described by theoretical results based on the non-stationary tunnelling approach. Both cross sections are calculated for CM energies between 0.15 and 300 keV. A new two-electron simultaneous transition mechanism is introduced. The importance of this process for the theoretical assessment of the experimental results is discussed. (Author)

Introducing Relativity into Quantum Chemistry

Science.gov (United States)

Li, Wai-Kee; Blinder, S. M.

2011-01-01

It is not often realized by chemists that the special theory of relativity is behind several aspects of quantum chemistry. The Schrdinger equation itself is based on relations between space-time and energy-momentum four vectors. Electron spin is, of course, the most obvious manifestation of relativity. The chemistry of some heavy elements is…

Energy and temperature fluctuations in the single electron box

International Nuclear Information System (INIS)

Berg, Tineke L van den; Brange, Fredrik; Samuelsson, Peter

2015-01-01

In mesoscopic and nanoscale systems at low temperatures, charge carriers are typically not in thermal equilibrium with the surrounding lattice. The resulting, non-equilibrium dynamics of electrons has only begun to be explored. Experimentally the time-dependence of the electron temperature (deviating from the lattice temperature) has been investigated in small metallic islands. Motivated by these experiments, we investigate theoretically the electronic energy and temperature fluctuations in a metallic island in the Coulomb blockade regime, tunnel coupled to an electronic reservoir, i.e. a single electron box. We show that electronic quantum tunnelling between the island and the reservoir, in the absence of any net charge or energy transport, induces fluctuations of the island electron temperature. The full distribution of the energy transfer as well as the island temperature is derived within the framework of full counting statistics. In particular, the low-frequency temperature fluctuations are analysed, fully accounting for charging effects and non-zero reservoir temperature. The experimental requirements for measuring the predicted temperature fluctuations are discussed. (paper)

Strong-coupling behaviour of two t - J chains with interchain single-electron hopping

International Nuclear Information System (INIS)

Zhang Guangming; Feng Shiping; Yu Lu.

1994-01-01

Using the fermion-spin transformation to implement spin-charge separation of constrained electrons, a model of two t - J chains with interchain single-electron hopping is studied by abelian bosonization. After spin-charge decoupling the charge dynamics can be trivially solved, while the spin dynamics is determined by a strong-coupling fixed point where the correlation functions can be calculated explicitly. This is a generalization of the Luther-Emery line for two-coupled t - J chains. The interchain single-electron hopping changes the asymptotic behaviour of the interchain spin-spin correlation functions and the electron Green function, but their exponents are independent of the coupling strength. (author). 25 refs

Single-electron transistors fabricated with sidewall spacer patterning

Science.gov (United States)

Park, Byung-Gook; Kim, Dae Hwan; Kim, Kyung Rok; Song, Ki-Whan; Lee, Jong Duk

2003-09-01

We have implemented a sidewall spacer patterning method for novel dual-gate single-electron transistor (DGSET) and metal-oxide-semiconductor-based SET (MOSET) based on the uniform SOI wire, using conventional lithography and processing technology. A 30 nm wide silicon quantum wire is defined by a sidewall spacer patterning method, and depletion gates for two tunnel junctions of the DGSET are formed by the doped polycrystalline silicon sidewall. The fabricated DGSET and MOSET show clear single-electron tunneling phenomena at liquid nitrogen temperature and insensitivity of the Coulomb oscillation period to gate bias conditions. On the basis of the phase control capability of the sidewall depletion gates, we have proposed a complementary self-biasing method, which enables the SET/CMOS hybrid multi-valued logic (MVL) to operate perfectly well at high temperature, where the peak-to-valley current ratio of Coulomb oscillation severely decreases. The suggested scheme is evaluated by SPICE simulation with an analytical DGSET model, and it is confirmed that even DGSETs with a large Si island can be utilized efficiently in the multi-valued logic.

Nuclear chemistry 1

International Nuclear Information System (INIS)

Macasek, F.

2009-01-01

This text-book (electronic book - multi-media CD-ROM) constitutes a course-book - author's collection of lectures. It consists of 9 lectures in which the reader acquaints with the basis of nuclear chemistry and radiochemistry: History of nucleus; Atomic nuclei; Radioactivity; Nuclear reactions and nucleogenesis; Isotopism; Ionizing radiation; Radiation measurement; Nuclear energetics; Isotopic indicators. This course-book may be interesting for students, post-graduate students of chemistry, biology, physics, medicine a s well as for teachers, scientific workers and physicians. (author)

General chemistry

International Nuclear Information System (INIS)

Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

1993-07-01

The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

Investigating Students' Similarity Judgments in Organic Chemistry

Science.gov (United States)

Graulich, N.; Bhattacharyya, G.

2017-01-01

Organic chemistry is possibly the most visual science of all chemistry disciplines. The process of scientific inquiry in organic chemistry relies on external representations, such as Lewis structures, mechanisms, and electron arrows. Information about chemical properties or driving forces of mechanistic steps is not available through direct…

Hybrid Nanomaterials with Single-Site Catalysts by Spatially Controllable Immobilization of Nickel Complexes via Photoclick Chemistry for Alkene Epoxidation.

Science.gov (United States)

Ghosh, Dwaipayan; Febriansyah, Benny; Gupta, Disha; Ng, Leonard Kia-Sheun; Xi, Shibo; Du, Yonghua; Baikie, Tom; Dong, ZhiLi; Soo, Han Sen

2018-05-22

Catalyst deactivation is a persistent problem not only for the scientific community but also in industry. Isolated single-site heterogeneous catalysts have shown great promise to overcome these problems. Here, a versatile anchoring strategy for molecular complex immobilization on a broad range of semiconducting or insulating metal oxide ( e. g., titanium dioxide, mesoporous silica, cerium oxide, and tungsten oxide) nanoparticles to synthesize isolated single-site catalysts has been studied systematically. An oxidatively stable anchoring group, maleimide, is shown to form covalent linkages with surface hydroxyl functionalities of metal oxide nanoparticles by photoclick chemistry. The nanocomposites have been thoroughly characterized by techniques including UV-visible diffuse reflectance spectroscopy, high-resolution transmission electron microscopy, X-ray photoelectron spectroscopy, infrared spectroscopy, and X-ray absorption spectroscopy (XAS). The IR spectroscopic studies confirm the covalent linkages between the maleimide group and surface hydroxyl functionalities of the oxide nanoparticles. The hybrid nanomaterials function as highly efficient catalysts for essentially quantitative oxidations of terminal and internal alkenes and show molecular catalyst product selectivities even in more eco-friendly solvents. XAS studies verify the robustness of the catalysts after several catalytic cycles. We have applied the photoclick anchoring methodology to precisely control the deposition of a luminescent variant of our catalyst on the metal oxide nanoparticles. Overall, we demonstrate a general approach to use irradiation to anchor molecular complexes on oxide nanoparticles to create recyclable, hybrid, single-site catalysts that function with high selectivity in a broad range of solvents. We have achieved a facile, spatially and temporally controllable photoclick method that can potentially be extended to other ligands, catalysts, functional molecules, and surfaces.

Measurement of single electron and nuclear spin states based on optically detected magnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Berman, Gennady P [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Bishop, Alan R [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernobrod, Boris M [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hawley, Marilyn E [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Brown, Geoffrey W [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Tsifrinovich, Vladimir I [Polytechnic University, Brooklyn, NY 11201 (United States)

2006-05-15

A novel approach for measurement of single electron and nuclear spin states is suggested. Our approach is based on optically detected magnetic resonance in a nano-probe located at the apex of an AFM tip. The method provides single electron spin sensitivity with nano-scale spatial resolution.

Measurement of single electron and nuclear spin states based on optically detected magnetic resonance

International Nuclear Information System (INIS)

Berman, Gennady P; Bishop, Alan R; Chernobrod, Boris M; Hawley, Marilyn E; Brown, Geoffrey W; Tsifrinovich, Vladimir I

2006-01-01

A novel approach for measurement of single electron and nuclear spin states is suggested. Our approach is based on optically detected magnetic resonance in a nano-probe located at the apex of an AFM tip. The method provides single electron spin sensitivity with nano-scale spatial resolution

South African Journal of Chemistry: Submissions

African Journals Online (AJOL)

... African Journal of Chemistry publishes original work in all branches of chemistry. ..... text and graphic files may be archived and compressed into one single file. ... to the Scientific Editor within three weeks, failing which the manuscript will be ...

MRPC prototypes for NeuLAND tested using the single electron mode of ELBE/Dresden

Energy Technology Data Exchange (ETDEWEB)

Yakorev, Dmitry; Bemmerer, Daniel; Elekes, Zoltan; Kempe, Mathias; Stach, Daniel; Wagner, Andreas [Forschungszentrum Dresden-Rossendorf (FZD), Dresden (Germany); Aumann, Tom; Boretzky, Konstanze; Caesar, Christoph; Ciobanu, Mircea; Hehner, Joerg; Heil, Michael; Nusair, Omar; Reifarth, Rene; Simon, Haik [GSI, Darmstadt (Germany); Elvers, Michael; Maroussov, Vassili; Zilges, Andreas [Universitaet Koeln (Germany); Zuber, Kai [TU Dresden (Germany)

2010-07-01

The NeuLAND detector at the R{sup 3}B experiment at the future FAIR facility in Darmstadt aims to detect fast neutrons (0.2-1.0 GeV) with high time and spatial resolutions ({sigma}{sub t}<100 ps, {sigma}{sub x,y,z}<1 cm). Prototypes for the NeuLAND detector have been built at FZD and GSI and then studied using the 32 MeV pulsed electron beam at the superconducting electron accelerator ELBE in Dresden, Germany. Owing to the new, single-electron per bunch mode of operation, a rapid validation of the design criteria ({>=}90% efficiency for minimum ionizing particles, {sigma} {<=} 100 ps time resolution) was possible. Tested properties of the prototypes include glass thickness, spacing of the central anode, and a comparison of single-ended and differential readout. Tested frontend electronics schemes include FOPI (single-ended), PADI-based (both single-ended and differential mode tested), and ALICE (differential).

Frontend electronics for high-precision single photo-electron timing using FPGA-TDCs

Science.gov (United States)

Cardinali, M.; Dzyhgadlo, R.; Gerhardt, A.; Götzen, K.; Hohler, R.; Kalicy, G.; Kumawat, H.; Lehmann, D.; Lewandowski, B.; Patsyuk, M.; Peters, K.; Schepers, G.; Schmitt, L.; Schwarz, C.; Schwiening, J.; Traxler, M.; Ugur, C.; Zühlsdorf, M.; Dodokhov, V. Kh.; Britting, A.; Eyrich, W.; Lehmann, A.; Uhlig, F.; Düren, M.; Föhl, K.; Hayrapetyan, A.; Kröck, B.; Merle, O.; Rieke, J.; Cowie, E.; Keri, T.; Montgomery, R.; Rosner, G.; Achenbach, P.; Corell, O.; Ferretti Bondy, M. I.; Hoek, M.; Lauth, W.; Rosner, C.; Sfienti, C.; Thiel, M.; Bühler, P.; Gruber, L.; Marton, J.; Suzuki, K.

2014-12-01

The next generation of high-luminosity experiments requires excellent particle identification detectors which calls for Imaging Cherenkov counters with fast electronics to cope with the expected hit rates. A Barrel DIRC will be used in the central region of the Target Spectrometer of the planned PANDA experiment at FAIR. A single photo-electron timing resolution of better than 100 ps is required by the Barrel DIRC to disentangle the complicated patterns created on the image plane. R&D studies have been performed to provide a design based on the TRB3 readout using FPGA-TDCs with a precision better than 20 ps RMS and custom frontend electronics with high-bandwidth pre-amplifiers and fast discriminators. The discriminators also provide time-over-threshold information thus enabling walk corrections to improve the timing resolution. Two types of frontend electronics cards optimised for reading out 64-channel PHOTONIS Planacon MCP-PMTs were tested: one based on the NINO ASIC and the other, called PADIWA, on FPGA discriminators. Promising results were obtained in a full characterisation using a fast laser setup and in a test experiment at MAMI, Mainz, with a small scale DIRC prototype.

A single electron in a Bose-Einstein condensate

International Nuclear Information System (INIS)

Balewski, Jonathan Benedikt

2014-01-01

This thesis deals with the production and study of Rydberg atoms in ultracold quantum gases. Especially a single electron in a Bose-Einstein condensate can be realized. This new idea, its experimental realization and theoretical description, as well as the development of application probabilities in a manifold of fields form the main topic of this thesis.

Dissociative electron attachment and electronic excitation in Fe(CO)5

Czech Academy of Sciences Publication Activity Database

Allan, M.; Lacko, M.; Papp, P.; Matejčík, Š.; Zlatar, M.; Fabrikant, I. I.; Kočišek, Jaroslav; Fedor, Juraj

2018-01-01

Roč. 20, č. 17 (2018), s. 11692-11701 ISSN 1463-9076 R&D Projects: GA ČR GA17-04844S Grant - others:COST(XE) CM1301 Institutional support: RVO:61388955 Keywords : electrons * FEBID * electronic excitation Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.123, year: 2016

Surface chemistry and electronic structure of nonpolar and polar GaN films

Energy Technology Data Exchange (ETDEWEB)

Mishra, Monu; Krishna, T.C. Shibin; Aggarwal, Neha; Gupta, Govind, E-mail: govind@nplindia.org

2015-08-01

Highlights: • Surface chemistry and electronic structure of polar and nonpolar GaN is reported. • Influence of polarization on electron affinity of p & np GaN films is investigated. • Correlation between surface morphology and polarity has been deduced. - Abstract: Photoemission and microscopic analysis of nonpolar (a-GaN/r-Sapphire) and polar (c-GaN/c-Sapphire) epitaxial gallium nitride (GaN) films grown via RF-Molecular Beam Epitaxy is reported. The effect of polarization on surface properties like surface states, electronic structure, chemical bonding and morphology has been investigated and correlated. It was observed that polarization lead to shifts in core level (CL) as well as valence band (VB) spectra. Angle dependent X-ray Photoelectron Spectroscopic analysis revealed higher surface oxide in polar GaN film compared to nonpolar GaN film. On varying the take off angle (TOA) from 0° to 60°, the Ga−O/Ga−N ratio varied from 0.11–0.23 for nonpolar and 0.17–0.36 for polar GaN film. The nonpolar film exhibited N-face polarity while Ga-face polarity was perceived in polar GaN film due to the inherent polarization effect. Polarization charge compensated surface states were observed on the polar GaN film and resulted in downward band bending. Ultraviolet photoelectron spectroscopic measurements revealed electron affinity and ionization energy of 3.4 ± 0.1 eV and 6.8 ± 0.1 eV for nonpolar GaN film and 3.8 ± 0.1 eV and 7.2 ± 0.1 eV for polar GaN film respectively. Field Emission Scanning Electron Microscopy measurements divulged smooth morphology with pits on polar GaN film. The nonpolar film on the other hand showed pyramidal structures having facets all over the surface.

Radio-frequency reflectometry on an undoped AlGaAs/GaAs single electron transistor

DEFF Research Database (Denmark)

MacLeod, S. J.; See, A. M.; Keane, Z. K.

2014-01-01

Radio frequency reflectometry is demonstrated in a sub-micron undoped AlGaAs/GaAs device. Undoped single electron transistors (SETs) are attractive candidates to study single electron phenomena, due to their charge stability and robust electronic properties after thermal cycling. However......, these devices require a large top-gate, which is unsuitable for the fast and sensitive radio frequency reflectometry technique. Here, we demonstrate that rf reflectometry is possible in an undoped SET....

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.

Science.gov (United States)

Mansbach, Rachael A; Ferguson, Andrew L

2015-03-14

The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

Science.gov (United States)

McBriarty, Martin E.

Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

Experimental study of single-electron loss by Ar{sup +} ions in rare-gas atoms

Energy Technology Data Exchange (ETDEWEB)

Reyes, P.G. [Facultad de Ciencias, UNAM, Coyoacan (Mexico); Castillo, F. [Instituto de Ciencias Nucleares, UNAM, Coyoacan (Mexico); Martinez, H. [Centro de Ciencias Fisicas, UNAM, Cuernavaca, Morelos (Mexico)]. E-mail: hm@fis.unam.mx

2001-04-28

Absolute differential and total cross sections for single-electron loss were measured for Ar{sup +} ions on rare-gas atoms in the laboratory energy range of 1.5 to 5.0 keV. The electron loss cross sections for all the targets studied are found to be in the order of magnitude between 10{sup -19} and 10{sup -22} cm{sup 2}, and show a monotonically increasing behaviour as a function of the incident energy. The behaviour of the total single-electron loss cross sections with the atomic target number, Z{sub t}, shows different dependences as the collision energy increases. In all cases the present results display experimental evidence of saturation in the single-electron loss cross section as the atomic number of the target increases. (author)

A Synthesis of Fluid Dynamics and Quantum Chemistry for the Design of Nanoelectronics

Science.gov (United States)

MacDougall, Preston J.

1998-01-01

In 1959, during a famous lecture entitled "There's Plenty of Room at the Bottom", Richard Feynman focused on the startling technical possibilities that would exist at the limit of miniaturization, that being atomically precise devices with dimensions in the nanometer range. A nanometer is both a convenient unit of length for medium to large sized molecules, and the root of the name of the new interdisciplinary field of "nanotechnology". Essentially, "nanoelectronics" denotes the goal of shrinking electronic devices, such as diodes and transistors, as well as integrated circuits of such devices that can perform logical operations, down to dimensions in the range of 100 nanometers. The thirty-year hiatus in the development of nanotechnology can figuratively be seen as a period of waiting for the bottom-up and atomically precise construction skills of synthetic chemistry to meet the top-down reductionist aspirations of device physics. The sub-nanometer domain of nineteenth-century classical chemistry has steadily grown, and state-of-the-art supramolecular chemistry can achieve atomic precision in non-repeating molecular assemblies of the size desired for nanotechnology. For nanoelectronics in particular, a basic understanding of the electron transport properties of molecules must also be developed. Quantum chemistry provides powerful computational methods that can accurately predict the properties of small to medium sized molecules on a desktop workstation, and those of large molecules if one has access to a supercomputer. Of the many properties of a molecule that quantum chemistry routinely predicts, the ability to carry a current is one that had not even been considered until recently. "Currently", there is a controversy over just how to define this key property. Reminiscent of the situation in high-Tc superconductivity, much of the difficulty arises from the different models that are used to simplify the complex electronic structure of real materials. A model

Modelling transport in single electron transistor

International Nuclear Information System (INIS)

Dinh Sy Hien; Huynh Lam Thu Thao; Le Hoang Minh

2009-01-01

We introduce a model of single electron transistor (SET). Simulation programme of SET is used as the exploratory tool in order to gain better understanding of process and device physics. This simulator includes a graphic user interface (GUI) in Matlab. The SET was simulated using GUI in Matlab to get current-voltage (I-V) characteristics. In addition, effects of device capacitance, bias, temperature on the I-V characteristics were obtained. In this work, we review the capabilities of the simulator of the SET. Typical simulations of the obtained I-V characteristics of the SET are presented.

Chemistry WebBook

Science.gov (United States)

SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

Structure and chemistry of epitaxial ceria thin films on yttria-stabilized zirconia substrates, studied by high resolution electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Sinclair, Robert, E-mail: bobsinc@stanford.edu [Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305 (United States); Lee, Sang Chul, E-mail: sclee99@stanford.edu [Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305 (United States); Shi, Yezhou; Chueh, William C. [Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305 (United States); Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States)

2017-05-15

We have applied aberration-corrected transmission electron microscopy (TEM) imaging and electron energy loss spectroscopy (EELS) to study the structure and chemistry of epitaxial ceria thin films, grown by pulsed laser deposition onto (001) yttria-stabilized zirconia (YSZ) substrates. There are few observable defects apart from the expected mismatch interfacial dislocations and so the films would be expected to have good potential for applications. Under high electron beam dose rate (above about 6000 e{sup -}/Å{sup 2}s) domains of an ordered structure appear and these are interpreted as being created by oxygen vacancy ordering. The ordered structure does not appear at lower lose rates (ca. 2600 e{sup -}/Å{sup 2}s) and can be removed by imaging under 1 mbar oxygen gas in an environmental TEM. EELS confirms that there is both oxygen deficiency and the associated increase in Ce{sup 3+} versus Ce{sup 4+} cations in the ordered domains. In situ high resolution TEM recordings show the formation of the ordered domains as well as atomic migration along the ceria thin film (001) surface. - Highlights: • The local structure and chemistry of ceria can be studied by TEM combined with EELS. • At lower electron, there are no observable changes in the ceria thin films. • At higher dose rates, an ordered phase is created due to oxygen vacancy ordering. • In situ HRTEM shows the oxygen vacancy ordering and the movement of surface atoms.

Real-Time, Single-Shot Temporal Measurements of Short Electron Bunches, Terahertz CSR and FEL Radiation

CERN Document Server

Berden, G; Van der Meer, A F G

2005-01-01

Electro-optic detection of the Coulomb field of electron bunches is a promising technique for single-shot measurements of the bunch length and shape in the sub-picosecond time domain. This technique has been applied to the measurement of 50 MeV electron bunches in the FELIX free electron laser, showing the longitudinal profile of single bunches of around 650 fs FWHM [Phys. Rev. Lett. 93, 114802 (2004)]. The method is non-destructive and real-time, and therefore ideal for online monitoring of the longitudinal shape of single electron bunches. At FELIX we have used it for real-time optimization of sub-picosecond electron bunches. Electro-optic detection has also been used to measure the electric field profiles of far-infrared (or terahertz) optical pulses generated by the relativistic electrons. We have characterised the far-infrared output of the free electron laser, and more recently, we have measured the temporal profile of terahertz optical pulses generated at one of the bending magnets.

Single and multiple ionization of sulfur atoms by electron impact

International Nuclear Information System (INIS)

Ziegler, D.L.

1982-01-01

Laboratory measurements of the cross sections for single, double, triple, and quadruple ionization of sulfur atoms by electron impact are presented for collision energies from threshold to 500 eV. The cross sections for single ionization of sulfur are measured relative to those of several elements whose absolute cross sections for single ionization are known. Cross sections for each multiple ionization process are then measured relative to those for single ionization. The configuration and operation of the apparatus for these measurements are described. The possible effects of excited sulfur reactants are examined, and the reported cross sections are felt to be characteristic of ground state sulfur atoms

Electronic properties of single-walled chiral carbon nanotube

International Nuclear Information System (INIS)

Mensah, S.Y.; Allotey, F.K.A.; Mensah, N.G.; Nkrumah, G.

2001-09-01

The electronic properties of single-walled chiral carbon nanotube has been studied using the model based on infinitely long carbon atoms wrapped along a base helix of single-walled carbon nanotubes(SWNTs). The problem is solved semiclassically, and current density J, resistivity ρ, thermopower α z , and electrical power factor P calculated. It is noted that the current density j displays negative differential conductivity, whiles the resistivity ρ increases with increasing electrical field. ρ also slowly increases at low temperatures and then gradually increases with increasing temperature. The thermopower α z shows interesting behaviour. Very intriguing is the electrical power factor which shows relatively large values. (author)

Reconfigurable Boolean logic using magnetic single-electron transistors

Czech Academy of Sciences Publication Activity Database

Gonzalez-Zalba, M.F.; Ciccarelli, C.; Zarbo, Liviu; Irvine, A.C.; Campion, R.C.; Gallagher, B. L.; Jungwirth, Tomáš; Ferguson, A.J.; Wunderlich, Joerg

2015-01-01

Roč. 10, č. 4 (2015), e0125142 E-ISSN 1932-6203 R&D Projects: GA MŠk(CZ) LM2011026; GA ČR GB14-37427G EU Projects: European Commission(XE) 268066 - 0MSPIN Institutional support: RVO:68378271 Keywords : single-electron transitor * reconfigurable logic * ferromagnetic semiconductor Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.057, year: 2015

Tensile properties of electron-beam-welded single crystals of molybdenum

International Nuclear Information System (INIS)

Hiraoka, Yutaka; Okada, Masatoshi; Irie, Hirosada; Fujii, Tadayuki.

1987-01-01

The purpose of this study is to investigate the macro- and microstructures and the tensile properties of electron-beam-welded single crystals of molybdenum. The single-crystal sheets were prepared by means of secondary recrystallization. The welding was carried out by a melt-run technique. The weld metal had the same crystallographic orientation as the base metal, and no grain boundary was observed. However, many large weld pores were formed mostly along the weld bond. The strength and ductility of the welded joints of single crystals were almost the same as those of the base metal (''annealed'' single crystals). It is concluded that the joint efficiency of molybdenum single crystals at room temperature or above was excellent and nearly 100 %. (author)

A molecular quantum spin network controlled by a single qubit.

Science.gov (United States)

Schlipf, Lukas; Oeckinghaus, Thomas; Xu, Kebiao; Dasari, Durga Bhaktavatsala Rao; Zappe, Andrea; de Oliveira, Felipe Fávaro; Kern, Bastian; Azarkh, Mykhailo; Drescher, Malte; Ternes, Markus; Kern, Klaus; Wrachtrup, Jörg; Finkler, Amit

2017-08-01

Scalable quantum technologies require an unprecedented combination of precision and complexity for designing stable structures of well-controllable quantum systems on the nanoscale. It is a challenging task to find a suitable elementary building block, of which a quantum network can be comprised in a scalable way. We present the working principle of such a basic unit, engineered using molecular chemistry, whose collective control and readout are executed using a nitrogen vacancy (NV) center in diamond. The basic unit we investigate is a synthetic polyproline with electron spins localized on attached molecular side groups separated by a few nanometers. We demonstrate the collective readout and coherent manipulation of very few (≤ 6) of these S = 1/2 electronic spin systems and access their direct dipolar coupling tensor. Our results show that it is feasible to use spin-labeled peptides as a resource for a molecular qubit-based network, while at the same time providing simple optical readout of single quantum states through NV magnetometry. This work lays the foundation for building arbitrary quantum networks using well-established chemistry methods, which has many applications ranging from mapping distances in single molecules to quantum information processing.

Failure of single electron descriptions of molecular orbital collision processes

International Nuclear Information System (INIS)

Elston, S.B.

1978-01-01

Inner-shell excitation occurring in low and moderate (keV range) energy collisions between light atomic and ionic systems is frequently describable in terms of molecular promotion mechanisms, which were extensively explored both theoretically and experimentally. The bulk of such studies have concentrated on processes understandable through the use of single- and independent-electron models. Nonetheless, it is possible to find cases of inner-shell excitation in relatively simple collision systems which involve nearly simultaneous multiple-electron transitions and transitions induced by inherently two-electron interactions. Evidence for these many- and nonindependent-electron phenomena in inner-shell excitation processes and the importance of considering such effects in the interpretation of collisionally induced excitation spectra is discussed. 13 references

Spin Measurements of an Electron Bound to a Single Phosphorous Donor in Silicon

Science.gov (United States)

Luhman, D. R.; Nguyen, K.; Tracy, L. A.; Carr, S. M.; Borchardt, J.; Bishop, N. C.; Ten Eyck, G. A.; Pluym, T.; Wendt, J.; Carroll, M. S.; Lilly, M. P.

2014-03-01

The spin of an electron bound to a single donor implanted in silicon is potentially useful for quantum information processing. We report on our efforts to measure and manipulate the spin of an electron bound to a single P donor in silicon. A low number of P donors are implanted using a self-aligned process into a silicon substrate in close proximity to a single-electron-transistor (SET) defined by lithographically patterned polysilicon gates. The SET is used to sense the occupancy of the electron on the donor and for spin read-out. An adjacent transmission line allows the application of microwave pulses to rotate the spin of the electron. We will present data from various experiments designed to exploit these capabilities. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. The work was supported by Sandia National Laboratories Directed Research and Development Program. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

Scaling of ion implanted Si:P single electron devices

International Nuclear Information System (INIS)

Escott, C C; Hudson, F E; Chan, V C; Petersson, K D; Clark, R G; Dzurak, A S

2007-01-01

We present a modelling study on the scaling prospects for phosphorus in silicon (Si:P) single electron devices using readily available commercial and free-to-use software. The devices comprise phosphorus ion implanted, metallically doped (n + ) dots (size range 50-500 nm) with source and drain reservoirs. Modelling results are compared to measurements on fabricated devices and discussed in the context of scaling down to few-electron structures. Given current fabrication constraints, we find that devices with 70-75 donors per dot should be realizable. We comment on methods for further reducing this number

Scaling of ion implanted Si:P single electron devices

Energy Technology Data Exchange (ETDEWEB)

Escott, C C [Centre for Quantum Computer Technology, School of Electrical Engineering and Telecommunications, UNSW, Sydney, NSW 2052 (Australia); Hudson, F E [Centre for Quantum Computer Technology, School of Electrical Engineering and Telecommunications, UNSW, Sydney, NSW 2052 (Australia); Chan, V C [Centre for Quantum Computer Technology, School of Electrical Engineering and Telecommunications, UNSW, Sydney, NSW 2052 (Australia); Petersson, K D [Centre for Quantum Computer Technology, School of Electrical Engineering and Telecommunications, UNSW, Sydney, NSW 2052 (Australia); Clark, R G [Centre for Quantum Computer Technology, School of Physics, UNSW, Sydney, 2052 (Australia); Dzurak, A S [Centre for Quantum Computer Technology, School of Electrical Engineering and Telecommunications, UNSW, Sydney, NSW 2052 (Australia)

2007-06-13

We present a modelling study on the scaling prospects for phosphorus in silicon (Si:P) single electron devices using readily available commercial and free-to-use software. The devices comprise phosphorus ion implanted, metallically doped (n{sup +}) dots (size range 50-500 nm) with source and drain reservoirs. Modelling results are compared to measurements on fabricated devices and discussed in the context of scaling down to few-electron structures. Given current fabrication constraints, we find that devices with 70-75 donors per dot should be realizable. We comment on methods for further reducing this number.

Effects of electron-transfer chemical modification on the electrical characteristics of graphene

International Nuclear Information System (INIS)

Fan Xiaoyan; Tanigaki, Katsumi; Nouchi, Ryo; Yin Lichang

2010-01-01

Because of the large reactivity of single layer graphene to electron-transfer chemistries, 4-nitrobenzene diazonium tetrafluoroborate is employed to modify the electrical properties of graphene field-effect transistors. After modification, the transfer characteristics of chemically modified graphene show a reduction in the minimum conductivity, electron-hole mobility asymmetry, a decrease in the electron/hole mobility, and a positive shift of the charge neutrality point with broadening of the minimum conductivity region. These phenomena are attributed to a dediazoniation reaction and the adsorbates on the graphene surface.

Effects of electron-transfer chemical modification on the electrical characteristics of graphene

Energy Technology Data Exchange (ETDEWEB)

Fan Xiaoyan; Tanigaki, Katsumi [Department of Physics, Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan); Nouchi, Ryo [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8578 (Japan); Yin Lichang, E-mail: nouchi@sspns.phys.tohoku.ac.jp [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016 (China)

2010-11-26

Because of the large reactivity of single layer graphene to electron-transfer chemistries, 4-nitrobenzene diazonium tetrafluoroborate is employed to modify the electrical properties of graphene field-effect transistors. After modification, the transfer characteristics of chemically modified graphene show a reduction in the minimum conductivity, electron-hole mobility asymmetry, a decrease in the electron/hole mobility, and a positive shift of the charge neutrality point with broadening of the minimum conductivity region. These phenomena are attributed to a dediazoniation reaction and the adsorbates on the graphene surface.

Tunable coupled nanomechanical resonators for single-electron transport

International Nuclear Information System (INIS)

Scheible, Dominik V; Erbe, Artur; Blick, Robert H

2002-01-01

Nano-electromechanical systems (NEMS) are ideal for sensor applications and ultra-sensitive force detection, since their mechanical degree of freedom at the nanometre scale can be combined with semiconductor nano-electronics. We present a system of coupled nanomechanical beam resonators in silicon which is mechanically fully Q-tunable ∼700-6000. This kind of resonator can also be employed as a mechanical charge shuttle via an insulated metallic island at the tip of an oscillating cantilever. Application of our NEMS as an electromechanical single-electron transistor (emSET) is introduced and experimental results are discussed. Three animation clips demonstrate the manufacturing process of the NEMS, the Q-tuning experiment and the concept of the emSET

Computational quantum chemistry for single Heisenberg spin couplings made simple: Just one spin flip required

International Nuclear Information System (INIS)

Mayhall, Nicholas J.; Head-Gordon, Martin

2014-01-01

We highlight a simple strategy for computing the magnetic coupling constants, J, for a complex containing two multiradical centers. On the assumption that the system follows Heisenberg Hamiltonian physics, J is obtained from a spin-flip electronic structure calculation where only a single electron is excited (and spin-flipped), from the single reference with maximum S ^ z , M, to the M − 1 manifold, regardless of the number of unpaired electrons, 2M, on the radical centers. In an active space picture involving 2M orbitals, only one β electron is required, together with only one α hole. While this observation is extremely simple, the reduction in the number of essential configurations from exponential in M to only linear provides dramatic computational benefits. This (M, M − 1) strategy for evaluating J is an unambiguous, spin-pure, wave function theory counterpart of the various projected broken symmetry density functional theory schemes, and likewise gives explicit energies for each possible spin-state that enable evaluation of properties. The approach is illustrated on five complexes with varying numbers of unpaired electrons, for which one spin-flip calculations are used to compute J. Some implications for further development of spin-flip methods are discussed

General and Efficient a-Oxygenation of Carbonyl Compounds by TEMPO Induced by Single-Electron-Transfer Oxidation of Their Enolates

Czech Academy of Sciences Publication Activity Database

Dinca, E.; Hartmann, P.; Smrček, Jakub; Dix, I.; Jones, P. G.; Jahn, Ullrich

-, č. 24 (2012), s. 4461-4482 ISSN 1434-193X Institutional support: RVO:61388963 Keywords : carbonyl compounds * oxidation * radicals * electron transfer * enolates Subject RIV: CC - Organic Chemistry Impact factor: 3.344, year: 2012

Cold Plasma: simple tool for convenient utilitarian chemistry in homogeneous and heterogeneous environments

International Nuclear Information System (INIS)

Das, Tomi Nath; Dey, Ghasi Ram

2015-07-01

Cold Plasma based experimental facilities have been commissioned (XI-XII Plan periods) in Radiation and Photochemistry Division, BARC to carry out free radical and excited state-induced chemistry in single- and mixed-phase milieu. In any reaction medium, Dielectric Barrier assisted Electric Discharge generates in situ non-equilibrium plasma constituting of electrons and photons (< 10 eV each) and chemically reactive ions, excited species and free radical transients near room temperature and pressure. Choice of reactants and nature of other added ingredient(s), type of interacting surface(s) and the dielectric characteristics, the rate and amount of electric energy dissipated within etc. control various reactions’ propensities and the natures of final products, following either routine or novel, atypical chemistry. A selection of results obtained from our laboratory highlight the development and the potential use of this technology. Constant improvements in Cold Plasma reactor types, and design, fabrication and assembly of a real-time measurement system, aiming to probe mechanistic chemistry, are also underway. (author)

Chemistry of SOFC Cathode Surfaces: Fundamental Investigation and Tailoring of Electronic Behavior

Energy Technology Data Exchange (ETDEWEB)

Yildiz, Bilge; Heski, Clemens

2013-08-31

1) Electron tunneling characteristics on La0.7Sr0.3MnO3 (LSM) thin-film surfaces were studied up to 580oC in 10-3mbar oxygen pressure, using scanning tunneling microscopy/ spectroscopy (STM/STS). A threshold-like drop in the tunneling current was observed at positive bias in STS, which is interpreted as a unique indicator for the activation polarization in cation oxygen bonding on LSM cathodes. Sr-enrichment was found on the surface at high temperature using Auger electron spectroscopy, and was accompanied by a decrease in tunneling conductance in STS. This suggests that Sr-terminated surfaces are less active for electron transfer in oxygen reduction compared to Mn-terminated surfaces on LSM. 2) Effects of strain on the surface cation chemistry and the electronic structure are important to understand and control for attaining fast oxygen reduction kinetics on transition metal oxides. Here, we demonstrate and mechanistically interpret the strain coupling to Sr segregation, oxygen vacancy formation, and electronic structure on the surface of La0.7Sr0.3MnO3 (LSM) thin films as a model system. Our experimental results from x-ray photoelectron spectroscopy and scanning tunneling spectroscopy are discussed in light of our first principles-based calculations. A stronger Sr enrichment tendency and a more facile oxygen vacancy formation prevail for the tensile strained LSM surface. The electronic structure of the tensile strained LSM surface exhibits a larger band gap at room temperature, however, a higher tunneling conductance near the Fermi level than the compressively strained LSM at elevated temperatures in oxygen. Our findings suggest lattice strain as a key parameter to tune the reactivity of perovskite transition metal oxides with oxygen in solid oxide fuel cell cathodes. 3) Cation segregation on perovskite oxide surfaces affects vastly the oxygen reduction activity and stability of solid oxide fuel cell (SOFC) cathodes. A unified theory that explains the physical

Retrocausation acting in the single-electron double-slit interference experiment

Science.gov (United States)

Hokkyo, Noboru

The single electron double-slit interference experiment is given a time-symmetric interpretation and visualization in terms of the intermediate amplitude of transition between the particle source and the detection point. It is seen that the retarded (causal) amplitude of the electron wave expanding from the source shows an advanced (retrocausal) bifurcation and merging in passing through the double-slit and converges towards the detection point as if guided by the advanced (retrocausal) wave from the detected electron. An experiment is proposed to confirm the causation-retrocausation symmetry of the electron behavior by observing the insensitivity of the interference pattern to non-magnetic obstacles placed in the shadows of the retarded and advanced waves appearing on the rear and front sides of the double-slit.

Dopant induced single electron tunneling within the sub-bands of single silicon NW tri-gate junctionless n-MOSFET

Science.gov (United States)

Uddin, Wasi; Georgiev, Yordan M.; Maity, Sarmistha; Das, Samaresh

2017-09-01

We report 1D electron transport of silicon junctionless tri-gate n-type transistor at 4.2 K. The step like curve observed in the current voltage characteristic suggests 1D transport. Besides the current steps for 1D transport, we found multiple spikes within individual steps, which we relate to inter-band single electron tunneling, mediated by the charged dopants available in the channel region. Clear Coulomb diamonds were observed in the stability diagram of the device. It is shown that a uniformly doped silicon nanowire can provide us the window for the single electron tunnelling. Back-gate versus front-gate color plot, where current is in a color scale, shows a crossover of the increased conduction region. This is a clear indication of the dopant-dopant interaction. It has been shown that back-gate biasing can be used to tune the coupling strength between the dopants.

Evaluation of the Electronic Structure of Single-Molecule Junctions Based on Current-Voltage and Thermopower Measurements: Application to C60 Single-Molecule Junction.

Science.gov (United States)

Komoto, Yuki; Isshiki, Yuji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

2017-02-16

The electronic structure of molecular junctions has a significant impact on their transport properties. Despite the decisive role of the electronic structure, a complete characterization of the electronic structure remains a challenge. This is because there is no straightforward way of measuring electron spectroscopy for an individual molecule trapped in a nanoscale gap between two metal electrodes. Herein, a comprehensive approach to obtain a detailed description of the electronic structure in single-molecule junctions based on the analysis of current-voltage (I-V) and thermoelectric characteristics is described. It is shown that the electronic structure of the prototypical C 60 single-molecule junction can be resolved by analyzing complementary results of the I-V and thermoelectric measurement. This combined approach confirmed that the C 60 single-molecule junction was highly conductive with molecular electronic conductances of 0.033 and 0.003 G 0 and a molecular Seebeck coefficient of -12 μV K -1 . In addition, we revealed that charge transport was mediated by a LUMO whose energy level was located 0.5≈0.6 eV above the Fermi level of the Au electrode. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elastic scattering of electrons from singly ionized argon

International Nuclear Information System (INIS)

Griffin, D.C.; Pindzola, M.S.

1996-01-01

Recently, Greenwood et al. [Phys. Rev. Lett. 75, 1062 (1995)] reported measurements of large-angle elastic scattering of electrons from singly ionized argon at an energy of 3.3 eV. They compared their results for the differential cross section with cross sections determined using phase shifts obtained from two different scattering potentials and found large discrepancies between theory and experiment at large angles. They state that these differences may be due to the effects of polarization of the target, which are not included in their calculations, as well as inaccurate representations of electron exchange in the local scattering potentials that are employed to determine the phase shifts. In order to test these proposed explanations of the discrepancies, we have carried out calculations of elastic scattering from Ar + using the R-matrix method. We compare both a single-state calculation, which does not include polarization, and a 17-state calculation, in which the effects of dipole polarizability are included through the use of polarization pseudostates within the close-coupling expansion, to each other and with the measurements. We find some differences between the two calculations at intermediate scattering angles, but very close agreement at angles above 100 degree. Although the calculated cross sections agree with experiment between 120 degree and 135 degree, large discrepancies persist at angles above 135 degree. We conclude that the differences between the measurements and theory cannot be explained on the basis of an inaccurate representation of electron exchange or polarization of the target. copyright 1996 The American Physical Society

Organic field-effect transistors using single crystals

Directory of Open Access Journals (Sweden)

Tatsuo Hasegawa and Jun Takeya

2009-01-01

Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

Microwave-induced co-tunneling in single electron tunneling transistors

DEFF Research Database (Denmark)

Ejrnaes, M.; Savolainen, M.; Manscher, M.

2002-01-01

on rubber bellows. Cross-talk was minimized by using individual coaxial lines between the sample and the room temperature electronics: The co-tunneling experiments were performed at zero DC bias current by measuring the voltage response to a very small amplitude 2 Hz current modulation with the gate voltage......The influence of microwaves on the co-tunneling in single electron tunneling transistors has been investigated as function of frequency and power in the temperature range from 150 to 500 mK. All 20 low frequency connections and the RF line were filtered, and the whole cryostat was suspended...

Impact of Amazonian deforestation on atmospheric chemistry

NARCIS (Netherlands)

Ganzeveld, L.N.; Lelieveld, J.

2004-01-01

A single-column chemistry and climate model has been used to study the impact of deforestation in the Amazon Basin on atmospheric chemistry. Over deforested areas, daytime ozone deposition generally decreases strongly except when surface wetness decreases through reduced precipitation, whereas

CDW-EIS model for single-electron capture in ion-atom collisions involving multielectronic targets

International Nuclear Information System (INIS)

Abufager, P N; MartInez, A E; Rivarola, R D; Fainstein, P D

2004-01-01

A generalization of the continuum distorted wave eikonal initial state (CDW-EIS) approximation, for the description of single-electron capture in ion-atom collisions involving multielectronic targets is presented. This approximation is developed within the framework of the independent electron model taking particular care of the representation of the bound and continuum target states. Total cross sections for single-electron capture from the K-shell of He, Ne and Ar noble gases by impact of bare ions are calculated. Present results are compared to previous CDW-EIS ones and to experimental data

Metal-Insulator-Metal Single Electron Transistors with Tunnel Barriers Prepared by Atomic Layer Deposition

Directory of Open Access Journals (Sweden)

Golnaz Karbasian

2017-03-01

Full Text Available Single electron transistors are nanoscale electron devices that require thin, high-quality tunnel barriers to operate and have potential applications in sensing, metrology and beyond-CMOS computing schemes. Given that atomic layer deposition is used to form CMOS gate stacks with low trap densities and excellent thickness control, it is well-suited as a technique to form a variety of tunnel barriers. This work is a review of our recent research on atomic layer deposition and post-fabrication treatments to fabricate metallic single electron transistors with a variety of metals and dielectrics.

Single-active-electron potentials for molecules in intense laser fields

DEFF Research Database (Denmark)

Abu-Samha, Mahmoud; Madsen, Lars Bojer

2010-01-01

Single-active-electron potentials are computed for selected molecules, and molecular wave functions with the correct asymptotic behavior are produced. Asymptotic expansion coefficients are extracted from the wave functions and used to compute alignment-dependent ionization yields from molecular...

Gas phase ion chemistry

CERN Document Server

Bowers, Michael T

1979-01-01

Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

Radiation chemistry and the environment

International Nuclear Information System (INIS)

Getoff, F.

1998-01-01

The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activities is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally ''clean'' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed: i) Removal of CO 2 from flue gases and its radiation induced utilization. ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

Radiation chemistry and the environment

International Nuclear Information System (INIS)

Getoff, Nikola

1999-01-01

The rather strong and many-sided pollution of the environment (atmosphere, water resources, soil) as a consequence of human activity is summarized. The solution of the arised problems by application of radiation chemistry methods and the utilization of modern environmentally 'clean' and economical technologies, founded on electron beam processing, are mentioned. Some basic environmental problems and their solution are briefly discussed. (i) Removal of CO 2 from flue gases and its radiation induced utilization. (ii) Principals for degradation of aqueous pollutants by electron beam processing in the presence of ozone (synergistic effect). The radiation chemistry as a modern and manifold discipline with very broad applications can also essentially contribute in the conservation of the environment

Evolution of energy deposition processes in anthracene single crystal from photochemistry to radiation chemistry under excitation with synchrotron radiation from 3 to 700 eV

International Nuclear Information System (INIS)

Nakagawa, Kazumichi; Jin, Zhaohui; Shimoyama, Iwao; Miyake, Yasuyuki; Ueno, Madoka; Kishigami, Yoichi; Horiuchi, Hiroki; Tanaka, Masahito; Kaneko, Fusae; Nishimagi, Hironobu; Kobayashi, Hiroyuki; Kotani, Masahiro

2008-01-01

Absolute values of quantum yield Φ(hν) of singlet exciton formation in anthracene single crystals were measured as a function of photon energy hν, with the usage of synchrotron radiation (SR) in 3-700 eV region. Values of Φ(hν) were found to increase linearly for hν≥75 eV. For hν≤40 eV, values of Φ(hν) gave a wealth of structures and are not linear to hν. Because number of secondary electrons produced by radiation is thought to increase in proportional to the incident photon energy, it is natural to conclude that the radiation chemistry effect becomes dominant above 75 eV. On the other hand, values of Φ(hν) showed response due to resonance rather than linear dependence with hν, which implies that the photochemical effect is dominant below 40 eV

Fundamental atomic plasma chemistry for semiconductor manufacturing process analysis

International Nuclear Information System (INIS)

Ventzek, P.L.G.; Zhang, D.; Stout, P.J.; Rauf, S.; Orlowski, M.; Kudrya, V.; Astapenko, V.; Eletskii, A.

2002-01-01

An absence of fundamental atomic plasma chemistry data (e.g. electron impact cross-sections) hinders the application of plasma process models in semiconductor manufacturing. Of particular importance is excited state plasma chemistry data for metallization applications. This paper describes important plasma chemistry processes in the context of high density plasmas for metallization application and methods for the calculation of data for the study of these processes. Also discussed is the development of model data sets that address computational tractability issues. Examples of model electron impact cross-sections for Ni reduced from multiple collision processes are presented

On the scalar electron mass limit from single photon experiments

International Nuclear Information System (INIS)

Grivaz, J.F.

1987-03-01

We discuss how the 90% C.L. lower limit on the mass of the scalar electron, as extracted from the single photon experiments, is affected by the way the background from radiative neutrino pair production is handled. We argue that some of the results presented at the Berkeley conference are overoptimistic, and that the mass lower limit is 65 GeV rather than the advertized value of 84 GeV, for the case of degenerate scalar electrons with massless photinos

Computational radiation chemistry: the emergence of a new field

International Nuclear Information System (INIS)

Bartczak, W.M.; Kroh, J.

1991-01-01

The role of the computer experiment as an information source, which is complementary to the ''real'' experiment in radiation chemistry, is discussed. The discussion is followed by a brief review of some of the simulation techniques, which have been recently applied to the problems of radiation chemistry: ion recombination in spurs and tracks of ionization, electron tunnelling in low-temperature glasses, electron localization in disordered media. (author)

Infrared single shot diagnostics for the longitudinal profile of the electron bunches at FLASH

International Nuclear Information System (INIS)

Delsim-Hashemi, Hossein

2008-09-01

The longitudinal profile of electron bunches plays an important role in the design of single-pass free electron lasers and future linear e + e - colliders. For the free electron laser FLASH in Hamburg, a longitudinal compression scheme is used which results in an asymmetric longitudinal bunch profile with a 'spike'. This 'spike', which has a very high peak current, is used in a high-gain SASE-FEL process to produce high intensity (about 70 μJ) femtosecond photon pulses in the XUV wavelength range. The required high peak current of the electron bunch is realized by confining a large number of electrons in a width, measured in time units, of few tens of femtosecond, making the diagnostics of such bunches a challenge. Furthermore, the operation of facilities such as FLASH shows that single-shot diagnostics is indispensable. It is intuitive to use a time domain method to measure the electron bunch length. However, when the structures present in the bunch profile fall in the femtoseconds range, this is beyond the resolution of time-resolved methods developed so far. In this thesis, a wavelength-domain technique is described that can fulfill both requirements of single shot and high resolution reaching to the femtoseconds range. The amount of charge that is confined in a typical length of several femtoseconds (FWHM of the spike) can be determined by a novel single-shot spectrometer that resolves the coherent radiation (e.g. coherent transition radiation) in the far-infrared and mid-infrared range. Furthermore the extension of this single-shot spectroscopy to shorter wavelengths reaching the near-infrared, makes it possible to investigate the presence of structures in the bunch profile that might correlate or anti-correlate to the SASE intensity. (orig.)

Infrared single shot diagnostics for the longitudinal profile of the electron bunches at FLASH

Energy Technology Data Exchange (ETDEWEB)

Delsim-Hashemi, Hossein

2008-09-15

The longitudinal profile of electron bunches plays an important role in the design of single-pass free electron lasers and future linear e{sup +}e{sup -} colliders. For the free electron laser FLASH in Hamburg, a longitudinal compression scheme is used which results in an asymmetric longitudinal bunch profile with a 'spike'. This 'spike', which has a very high peak current, is used in a high-gain SASE-FEL process to produce high intensity (about 70 {mu}J) femtosecond photon pulses in the XUV wavelength range. The required high peak current of the electron bunch is realized by confining a large number of electrons in a width, measured in time units, of few tens of femtosecond, making the diagnostics of such bunches a challenge. Furthermore, the operation of facilities such as FLASH shows that single-shot diagnostics is indispensable. It is intuitive to use a time domain method to measure the electron bunch length. However, when the structures present in the bunch profile fall in the femtoseconds range, this is beyond the resolution of time-resolved methods developed so far. In this thesis, a wavelength-domain technique is described that can fulfill both requirements of single shot and high resolution reaching to the femtoseconds range. The amount of charge that is confined in a typical length of several femtoseconds (FWHM of the spike) can be determined by a novel single-shot spectrometer that resolves the coherent radiation (e.g. coherent transition radiation) in the far-infrared and mid-infrared range. Furthermore the extension of this single-shot spectroscopy to shorter wavelengths reaching the near-infrared, makes it possible to investigate the presence of structures in the bunch profile that might correlate or anti-correlate to the SASE intensity. (orig.)

Stochastic resonance in an ensemble of single-electron neuromorphic devices and its application to competitive neural networks

International Nuclear Information System (INIS)

Oya, Takahide; Asai, Tetsuya; Amemiya, Yoshihito

2007-01-01

Neuromorphic computing based on single-electron circuit technology is gaining prominence because of its massively increased computational efficiency and the increasing relevance of computer technology and nanotechnology [Likharev K, Mayr A, Muckra I, Tuerel O. CrossNets: High-performance neuromorphic architectures for CMOL circuits. Molec Electron III: Ann NY Acad Sci 1006;2003:146-63; Oya T, Schmid A, Asai T, Leblebici Y, Amemiya Y. On the fault tolerance of a clustered single-electron neural network for differential enhancement. IEICE Electron Expr 2;2005:76-80]. The maximum impact of these technologies will be strongly felt when single-electron circuits based on fault- and noise-tolerant neural structures can operate at room temperature. In this paper, inspired by stochastic resonance (SR) in an ensemble of spiking neurons [Collins JJ, Chow CC, Imhoff TT. Stochastic resonance without tuning. Nature 1995;376:236-8], we propose our design of a basic single-electron neural component and report how we examined its statistical results on a network

Handbook of relativistic quantum chemistry

International Nuclear Information System (INIS)

Liu, Wenjian

2017-01-01

This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

Development of CRID [Cerenkov Ring Imaging Detector] single electron wire detector

International Nuclear Information System (INIS)

Aston, D.; Bean, A.; Bienz, T.

1989-02-01

We describe the R and D effort to define the design parameters, method of construction and experimental results from the single electron wire detectors. These detectors will be used for particle identification using the Cerenkov Ring Imaging techniques in the SLD experiment at SLAC. We present measurements of pulse heights for several gases as a function of gas gain, charge division performance on a single electron signal using both 7 μm and 33 μm diameter carbon wires, photon feedback in TMAE laden gas, average pulse shape, and its comparison with the predicted shape and cross-talk. In addition, we present results of wire aging tests, and other tests associated with construction of this unusual type of wire chamber. 12 refs., 9 figs

Simulation of electronic structure Hamiltonians in a superconducting quantum computer architecture

Energy Technology Data Exchange (ETDEWEB)

Kaicher, Michael; Wilhelm, Frank K. [Theoretical Physics, Saarland University, 66123 Saarbruecken (Germany); Love, Peter J. [Department of Physics, Haverford College, Haverford, Pennsylvania 19041 (United States)

2015-07-01

Quantum chemistry has become one of the most promising applications within the field of quantum computation. Simulating the electronic structure Hamiltonian (ESH) in the Bravyi-Kitaev (BK)-Basis to compute the ground state energies of atoms/molecules reduces the number of qubit operations needed to simulate a single fermionic operation to O(log(n)) as compared to O(n) in the Jordan-Wigner-Transformation. In this work we will present the details of the BK-Transformation, show an example of implementation in a superconducting quantum computer architecture and compare it to the most recent quantum chemistry algorithms suggesting a constant overhead.

Poly-silicon quantum-dot single-electron transistors

International Nuclear Information System (INIS)

Kang, Kwon-Chil; Lee, Joung-Eob; Lee, Jung-Han; Lee, Jong-Ho; Shin, Hyung-Cheol; Park, Byung-Gook

2012-01-01

For operation of a single-electron transistors (SETs) at room temperature, we proposed a fabrication method for a SET with a self-aligned quantum dot by using polycrystalline silicon (poly-Si). The self-aligned quantum dot is formed by the selective etching of a silicon nanowire on a planarized surface and the subsequent deposition and etch-back of poly-silicon or chemical mechanical polishing (CMP). The two tunneling barriers of the SET are fabricated by thermal oxidation. Also, to decrease the leakage current and control the gate capacitance, we deposit a hard oxide mask layer. The control gate is formed by using an electron beam and photolithography on chemical vapor deposition (CVD). Owing to the small capacitance of the narrow control gate due to the tetraethyl orthosilicate (TEOS) hard mask, we observe clear Coulomb oscillation peaks and differential trans-conductance curves at room temperature. The clear oscillation period of the fabricated SET is 2.0 V.

Universal quantum gates on electron-spin qubits with quantum dots inside single-side optical microcavities.

Science.gov (United States)

Wei, Hai-Rui; Deng, Fu-Guo

2014-01-13

We present some compact quantum circuits for a deterministic quantum computing on electron-spin qubits assisted by quantum dots inside single-side optical microcavities, including the CNOT, Toffoli, and Fredkin gates. They are constructed by exploiting the giant optical Faraday rotation induced by a single-electron spin in a quantum dot inside a single-side optical microcavity as a result of cavity quantum electrodynamics. Our universal quantum gates have some advantages. First, all the gates are accomplished with a success probability of 100% in principle. Second, our schemes require no additional electron-spin qubits and they are achieved by some input-output processes of a single photon. Third, our circuits for these gates are simple and economic. Moreover, our devices for these gates work in both the weak coupling and the strong coupling regimes, and they are feasible in experiment.

Communication: The electronic structure of matter probed with a single femtosecond hard x-ray pulse

Directory of Open Access Journals (Sweden)

J. Szlachetko

2014-03-01

Full Text Available Physical, biological, and chemical transformations are initiated by changes in the electronic configuration of the species involved. These electronic changes occur on the timescales of attoseconds (10−18 s to femtoseconds (10−15 s and drive all subsequent electronic reorganization as the system moves to a new equilibrium or quasi-equilibrium state. The ability to detect the dynamics of these electronic changes is crucial for understanding the potential energy surfaces upon which chemical and biological reactions take place. Here, we report on the determination of the electronic structure of matter using a single self-seeded femtosecond x-ray pulse from the Linac Coherent Light Source hard x-ray free electron laser. By measuring the high energy resolution off-resonant spectrum (HEROS, we were able to obtain information about the electronic density of states with a single femtosecond x-ray pulse. We show that the unoccupied electronic states of the scattering atom may be determined on a shot-to-shot basis and that the measured spectral shape is independent of the large intensity fluctuations of the incoming x-ray beam. Moreover, we demonstrate the chemical sensitivity and single-shot capability and limitations of HEROS, which enables the technique to track the electronic structural dynamics in matter on femtosecond time scales, making it an ideal probe technique for time-resolved X-ray experiments.

Molecular electronics--resonant transport through single molecules.

Science.gov (United States)

Lörtscher, Emanuel; Riel, Heike

2010-01-01

The mechanically controllable break-junction technique (MCBJ) enables us to investigate charge transport through an individually contacted and addressed molecule in ultra-high vacuum (UHV) environment at variable temperature ranging from room temperature down to 4 K. Using a statistical measurement and analysis approach, we acquire current-voltage (I-V) characteristics during the repeated formation, manipulation, and breaking of a molecular junction. At low temperatures, voltages accessing the first molecular orbitals in resonance can be applied, providing spectroscopic information about the junction's energy landscape, in particular about the molecular level alignment in respect to the Fermi energy of the electrodes. Thereby, we can investigate the non-linear transport properties of various types of functional molecules and explore their potential use as functional building blocks for future nano-electronics. An example will be given by the reversible and controllable switching between two distinct conductive states of a single molecule. As a proof-of-principle for functional molecular devices, a single-molecule memory element will be demonstrated.

Momentum spectra for single and double electron ionization of He in relativistic collisions

International Nuclear Information System (INIS)

Wood, C.J.; Olson, R.E.

1997-08-01

The complete momentum spectra for single and double ionization of He by 1GeV/u (β=0.88) U 92+ have been investigated using a classical trajectory Monte Carlo method corrected for the relativistic projectile. The 1/r 12 electron-electron interaction has been included in the post-collision region for double ionization to incorporate the effects of both the nuclear-electron and electron-electron ionizing interactions, and to access the effects of electron correlation in the electron spectra. Experimental measurements were able to determine the longitudinal momentum spectra for single ionization; these observations are in accordance with the theoretical predictions for the three-body momentum balance between projectile, recoil ion, and ionized electron. In particular, the Lorentz contraction of the Coulomb interaction of the projectile manifests itself in the decrease of the post-collision interaction of the projectile with the electron and recoil ion, causing them to recoil back-to-back as in the case for a short electromagnetic pulse. This feature is clearly displayed in both the theoretical and experimental longitudinal momentum spectra, and by comparing to calculations that are performed at the same collision speed but do not include the relativistic potentials. Moreover, collision plane spectra of the three particles demonstrate that the momenta of the recoil ion and ionized electron are preferentially equal, and opposite, to each other. The electron spectra for double ionization show that the inclusion of the electron-electron interaction in the post-collision regime partitions the combined ionization momentum of the electrons so that the electrons are preferentially emitted in opposite azimuthal angles to one another. This is in contrast to calculations made assuming independent electrons. (orig.)

Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry.

Science.gov (United States)

Lei, Zhendong; Yang, Qinsi; Xu, Yi; Guo, Siyu; Sun, Weiwei; Liu, Hao; Lv, Li-Ping; Zhang, Yong; Wang, Yong

2018-02-08

Conjugated polymeric molecules have been heralded as promising electrode materials for the next-generation energy-storage technologies owing to their chemical flexibility at the molecular level, environmental benefit, and cost advantage. However, before any practical implementation takes place, the low capacity, poor structural stability, and sluggish ion/electron diffusion kinetics remain the obstacles that have to be overcome. Here, we report the synthesis of a few-layered two-dimensional covalent organic framework trapped by carbon nanotubes as the anode of lithium-ion batteries. Remarkably, upon activation, this organic electrode delivers a large reversible capacity of 1536 mAh g -1 and can sustain 500 cycles at 100 mA g -1 . Aided by theoretical calculations and electrochemical probing of the electrochemical behavior at different stages of cycling, the storage mechanism is revealed to be governed by 14-electron redox chemistry for a covalent organic framework monomer with one lithium ion per C=N group and six lithium ions per benzene ring. This work may pave the way to the development of high-capacity electrodes for organic rechargeable batteries.

Single-Molecule Imaging with X-Ray Free-Electron Lasers: Dream or Reality?

KAUST Repository

Fratalocchi, Andrea

2011-03-09

X-ray free-electron lasers (XFEL) are revolutionary photon sources, whose ultrashort, brilliant pulses are expected to allow single-molecule diffraction experiments providing structural information on the atomic length scale of nonperiodic objects. This ultimate goal, however, is currently hampered by several challenging questions basically concerning sample damage, Coulomb explosion, and the role of nonlinearity. By employing an original ab initio approach, we address these issues showing that XFEL-based single-molecule imaging will be only possible with a few-hundred long attosecond pulses, due to significant radiation damage and the formation of preferred multisoliton clusters which reshape the overall electronic density of the molecular system at the femtosecond scale.

Single-Molecule Imaging with X-Ray Free-Electron Lasers: Dream or Reality?

KAUST Repository

Fratalocchi, Andrea; Ruocco, G.

2011-01-01

X-ray free-electron lasers (XFEL) are revolutionary photon sources, whose ultrashort, brilliant pulses are expected to allow single-molecule diffraction experiments providing structural information on the atomic length scale of nonperiodic objects. This ultimate goal, however, is currently hampered by several challenging questions basically concerning sample damage, Coulomb explosion, and the role of nonlinearity. By employing an original ab initio approach, we address these issues showing that XFEL-based single-molecule imaging will be only possible with a few-hundred long attosecond pulses, due to significant radiation damage and the formation of preferred multisoliton clusters which reshape the overall electronic density of the molecular system at the femtosecond scale.

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I. Reference Data at the CCSD(T) Complete Basis Set Limit

KAUST Repository

Richard, Ryan M.; Marshall, Michael S.; Dolgounitcheva, O.; Ortiz, J. V.; Bredas, Jean-Luc; Marom, Noa; Sherrill, C. David

2016-01-01

. This makes OPV design an appealing application for computational chemistry since IPs and EAs are readily calculable from most electronic structure methods. Unfortunately reliable, high-accuracy wave function methods, such as coupled cluster theory with single

Chemistry and electronics of oxides from carbon dioxide to perovskite

International Nuclear Information System (INIS)

Koinuma, Hideomi

2005-01-01

Oxides are thermodynamic stable form of materials in terrestrial conditions to exist as final products of energy consumption proceeding in nature as well as in civilization. The accumulation of heat capacitive CO 2 in atmosphere is becoming a serious environmental problem. Solid oxides as minerals in the earth shell had been used mainly for heat resistant structural materials as well as for raw materials of metals, but recent advanced chemistry and physics have been manifesting new electronic and chemical potentials hidden in oxides. Current interest and studies on oxides are directed towards two main areas: (1) prevention of CO 2 increase in atmosphere by its fixation and/or by saving the consumption of fossil fuels and (2) discovery and utilization of superfunctionality in oxides. Triggered by Bednorz and Muller's discovery of high Tc superconductor, the latter topics have been attracting rapidly growing interest from viewpoints of both fundamental research and practical application. In commemoration of WOE homecoming to the place of inauguration, a founder of WOE appreciates much to the program committee for providing him with this opportunity of briefing the workshop motivation and of reviewing his research career on oxide materials

Detection of single electron spin resonance in a double quantum dota)

Science.gov (United States)

Koppens, F. H. L.; Buizert, C.; Vink, I. T.; Nowack, K. C.; Meunier, T.; Kouwenhoven, L. P.; Vandersypen, L. M. K.

2007-04-01

Spin-dependent transport measurements through a double quantum dot are a valuable tool for detecting both the coherent evolution of the spin state of a single electron, as well as the hybridization of two-electron spin states. In this article, we discuss a model that describes the transport cycle in this regime, including the effects of an oscillating magnetic field (causing electron spin resonance) and the effective nuclear fields on the spin states in the two dots. We numerically calculate the current flow due to the induced spin flips via electron spin resonance, and we study the detector efficiency for a range of parameters. The experimental data are compared with the model and we find a reasonable agreement.

Second quantized approach to quantum chemistry

International Nuclear Information System (INIS)

Surjan, P.R.

1989-01-01

The subject of this book is the application of the second quantized approach to quantum chemistry. Second quantization is an alternative tool for dealing with many-electron theory. The vast majority of quantum chemical problems are more easily treated using second quantization as a language. This book offers a simple and pedagogical presentation of the theory and some applications. The reader is not supposed to be trained in higher mathematics, though familiarity with elementary quantum mechanics and quantum chemistry is assumed. Besides the basic formalism and standard illustrative applications, some recent topics of quantum chemistry are reviewed in some detail. This book bridges the gap between sophisticated quantum theory and practical quantum chemistry. (orig.)

Single-Shot Spectrometry for X-Ray Free-Electron Lasers

International Nuclear Information System (INIS)

Yabashi, Makina; Ishikawa, Tetsuya; Hastings, Jerome B.; Zolotorev, Max S.; Mimura, Hidekazu; Yumoto, Hirokatsu; Matsuyama, Satoshi; Yamauchi, Kazuto

2006-01-01

An experimental scheme to realize single-shot spectrometry for the diagnostics of x-ray free-electron lasers (XFELs) is presented. The combination of an ultraprecisely figured mirror and a perfect crystal form a simple, high-precision spectrometer that can cover an energy range from a few eV to a hundred eV with high resolution. The application of the spectrometer to determine XFEL pulse widths was investigated theoretically and experimentally. It has been shown that the present system can determine pulse widths from sub-fs to ps in a single shot even for spontaneous radiation. The system can be easily extended to even shorter pulses

Remarks on theoretical hot-atom chemistry

International Nuclear Information System (INIS)

Inokuti, Mitio

1993-01-01

The publication of the 'Handbook of Hot Atom Chemistry', following the earlier volume 'Recent Trend and Application', was a major milestone in physical chemistry. Theoretical treatments of hot atom chemistry must address two classes of problems. The first class concerns the individual collisions of hot atoms with other atoms or molecules. The second class concerns the description of the consequences of the many collisions of hot atoms and their chemical environment. Most of the remarks pertain to the problems of the first class. The central issue is the adiabaticity of nuclear motions versus electronic motions. To be precise, any atomic core motion should be mentioned rather than pure nuclear motion, because tightly bound core electrons are largely irrelevant to the chemistry. When nuclear motions are sufficiently slow, or for other reasons that can be regarded as adiabatic, the collision problem is basically straightforward, therefore, interatomic and intermolecular forces can be assumed, and their consequences for nuclear motions are calculable in principle. In the case of non-adiabaticity being important, much more difficult problems arise, and it is briefly discussed, and the work by Phelps is cited. (K.I.)

Differential cross sections for single-electron capture in He{sup 2+}-D collisions

Energy Technology Data Exchange (ETDEWEB)

Bordenave-Montesquieu, D.; Dagnac, R. [Centre National de la Recherche Scientifique (CNRS), 31 - Toulouse (France)]|[Toulouse-3 Univ., 31 (France)

1995-06-14

A translational energy spectroscopy technique was used to study single-electron capture into the He{sup +} (n = 2) and He{sup +} (n 3) states in He{sup 2+}-D collisions. Differential cross sections were determined at 4, 6 and 8 keV in the angular range 5`-1{sup o}30` (laboratory frame). As expected, single-electron capture into the n = 2 state was found to be the dominant process; total cross sections for capture into the He{sup +} (n = 3) state were compared to other experimental and theoretical results. (author).

Chemistry Division: Annual progress report for period ending March 31, 1987

International Nuclear Information System (INIS)

1987-08-01

This report is divided into the following sections: coal chemistry; aqueous chemistry at high temperatures and pressures; geochemistry of crustal processes to high temperatures and pressures; chemistry of advanced inorganic materials; structure and dynamics of advanced polymeric materials; chemistry of transuranium elements and compounds; separations chemistry; reactions and catalysis in molten salts; surface science related to heterogeneous catalysis; electron spectroscopy; chemistry related to nuclear waste disposal; computational modeling of security document printing; and special topics

Modelling neutral and plasma chemistry with DSMC

International Nuclear Information System (INIS)

Bartel, Timothy J.

2003-01-01

The Direct Simulation Monte Carlo (DSMC) method is a powerful method for modelling chemically reacting flows. It is a statistical method which simulates the Boltzmann equation by interacting computational particles which represent a large number of a single species type. A statistical problem will occur when trace concentrations are required to be accurately modelled; the traditional strategy is to use more computational particles per cell or simply obtain lower statistics and thus have higher uncertainty for the trace concentrations. A new method, cell based chemistry (CBC), based on an integral balancing concept, allows all chemistry, including trace reactions, to be efficiently modelled in the framework of DSMC. This strategy first separates the collision phase from the reacting phase. Then a strategy is presented which conserves both the collision and reaction frequencies in a consistent manner. The illustrative problem is a chemically reacting glow discharge plasma; the ion concentrations typically are at a 0.1% mole fraction but dominant the physical mechanism of the system. Comparisons will be made to a chlorine plasma in a Gaseous Electronics Conference (GEC) reference cell with an inductive coil at approximately 20 mtorr system pressure

Correlation of electrochemical properties of expanded pyridinium compounds with their single molecule conductance

Czech Academy of Sciences Publication Activity Database

Nováková Lachmanová, Štěpánka; Šebera, Jakub; Kolivoška, Viliam; Gasior, Jindřich; Mészáros, G.; Dupeyre, G.; Lainé, P. P.; Hromadová, Magdaléna

Roč. 301, FEB 2018 ( 2018 ), s. 301-311 ISSN 0013-4686 R&D Projects: GA ČR GA18-04682S; GA ČR GJ16-07460Y; GA MŠk(CZ) 7AMB15FR027 Grant - others:AV ČR(CZ) MTA-16-02 Program:Bilaterální spolupráce Institutional support: RVO:61388955 Keywords : Expanded pyridinium * Electron transfer and electron transport * Single molecule conductance Subject RIV: CG - Electrochemistry OBOR OECD: Physical chemistry Impact factor: 4.798, year: 2016

Current Single Event Effects Results for Candidate Spacecraft Electronics for NASA

Science.gov (United States)

OBryan, Martha V.; Seidleck, Christina M.; Carts, Martin A.; LaBel, Kenneth A.; Marshall, Cheryl J.; Reed, Robert A.; Sanders, Anthony B.; Hawkins, Donald K.; Cox, Stephen R.; Kniffin, Scott D.

2004-01-01

We present data on the vulnerability of a variety of candidate spacecraft electronics to proton and heavy ion induced single event effects. Devices tested include digital, analog, linear bipolar, and hybrid devices, among others.

Handbook of relativistic quantum chemistry

Energy Technology Data Exchange (ETDEWEB)

Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering

2017-03-01

This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

Area efficient digital logic NOT gate using single electron box (SEB

Directory of Open Access Journals (Sweden)

Bahrepour Davoud

2017-01-01

Full Text Available The continuing scaling down of complementary metal oxide semiconductor (CMOS has led researchers to build new devices with nano dimensions, whose behavior will be interpreted based on quantum mechanics. Single-electron devices (SEDs are promising candidates for future VLSI applications, due to their ultra small dimensions and lower power consumption. In most SED based digital logic designs, a single gate is introduced and its performance discussed. While in the SED based circuits the fan out of designed gate circuit should be considered and measured. In the other words, cascaded SED based designs must work properly so that the next stage(s should be driven by the previous stage. In this paper, previously NOT gate based on single electron box (SEB which is an important structure in SED technology, is reviewed in order to obtain correct operation in series connections. The correct operation of the NOT gate is investigated in a buffer circuit which uses two connected NOT gate in series. Then, for achieving better performance the designed buffer circuit is improved by the use of scaling process.

Understanding surface structure and chemistry of single crystal lanthanum aluminate

KAUST Repository

Pramana, Stevin S.

2017-03-02

The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

Single-particle electron microscopy in the study of membrane protein structure.

Science.gov (United States)

De Zorzi, Rita; Mi, Wei; Liao, Maofu; Walz, Thomas

2016-02-01

Single-particle electron microscopy (EM) provides the great advantage that protein structure can be studied without the need to grow crystals. However, due to technical limitations, this approach played only a minor role in the study of membrane protein structure. This situation has recently changed dramatically with the introduction of direct electron detection device cameras, which allow images of unprecedented quality to be recorded, also making software algorithms, such as three-dimensional classification and structure refinement, much more powerful. The enhanced potential of single-particle EM was impressively demonstrated by delivering the first long-sought atomic model of a member of the biomedically important transient receptor potential channel family. Structures of several more membrane proteins followed in short order. This review recounts the history of single-particle EM in the study of membrane proteins, describes the technical advances that now allow this approach to generate atomic models of membrane proteins and provides a brief overview of some of the membrane protein structures that have been studied by single-particle EM to date. © The Author 2015. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Quantum Chemistry; A concise introduction for students of physics, chemistry, biochemistry and materials science

Science.gov (United States)

Thakkar, Ajit J.

2017-09-01

This book provides non-specialists with a basic understanding of the underlying concepts of quantum chemistry. It is both a text for second- or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely use spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference.

Compendium of Single Event Effects, Total Ionizing Dose, and Displacement Damage for Candidate Spacecraft Electronics for NASA

Science.gov (United States)

LaBel, Kenneth A.; OBryan, Martha V.; Chen, Dakai; Campola, Michael J.; Casey, Megan C.; Pellish, Jonathan A.; Lauenstein, Jean-Marie; Wilcox, Edward P.; Topper, Alyson D.; Ladbury, Raymond L.;

Low-kilovolt coherent electron diffractive imaging instrument based on a single-atom electron source

Energy Technology Data Exchange (ETDEWEB)

Lin, Chun-Yueh [Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Chang, Wei-Tse; Chen, Yi-Sheng; Hwu, En-Te; Chang, Chia-Seng; Hwang, Ing-Shouh, E-mail: ishwang@phys.sinica.edu.tw [Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan (China); Hsu, Wei-Hao [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

2016-03-15

In this work, a transmission-type, low-kilovolt coherent electron diffractive imaging instrument was constructed. It comprised a single-atom field emitter, a triple-element electrostatic lens, a sample holder, and a retractable delay line detector to record the diffraction patterns at different positions behind the sample. It was designed to image materials thinner than 3 nm. The authors analyzed the asymmetric triple-element electrostatic lens for focusing the electron beams and achieved a focused beam spot of 87 nm on the sample plane at the electron energy of 2 kV. High-angle coherent diffraction patterns of a suspended graphene sample corresponding to (0.62 Å){sup −1} were recorded. This work demonstrated the potential of coherent diffractive imaging of thin two-dimensional materials, biological molecules, and nano-objects at a voltage between 1 and 10 kV. The ultimate goal of this instrument is to achieve atomic resolution of these materials with high contrast and little radiation damage.

Synchronizing a single-electron shuttle to an external drive

Science.gov (United States)

Moeckel, Michael J.; Southworth, Darren R.; Weig, Eva M.; Marquardt, Florian

2014-04-01

The nanomechanical single-electron shuttle is a resonant system in which a suspended metallic island oscillates between and impacts at two electrodes. This setup holds promise for one-by-one electron transport and the establishment of an absolute current standard. While the charge transported per oscillation by the nanoscale island will be quantized in the Coulomb blockade regime, the frequency of such a shuttle depends sensitively on many parameters, leading to drift and noise. Instead of considering the nonlinearities introduced by the impact events as a nuisance, here we propose to exploit the resulting nonlinear dynamics to realize a highly precise oscillation frequency via synchronization of the shuttle self-oscillations to an external signal. We link the established phenomenological description of synchronization based on the Adler equation to the microscopic nonlinear dynamics of the electron shuttle by calculating the effective Adler constant analytically in terms of the microscopic parameters.

Synchronizing a single-electron shuttle to an external drive

International Nuclear Information System (INIS)

Moeckel, Michael J; Southworth, Darren R; Weig, Eva M; Marquardt, Florian

2014-01-01

The nanomechanical single-electron shuttle is a resonant system in which a suspended metallic island oscillates between and impacts at two electrodes. This setup holds promise for one-by-one electron transport and the establishment of an absolute current standard. While the charge transported per oscillation by the nanoscale island will be quantized in the Coulomb blockade regime, the frequency of such a shuttle depends sensitively on many parameters, leading to drift and noise. Instead of considering the nonlinearities introduced by the impact events as a nuisance, here we propose to exploit the resulting nonlinear dynamics to realize a highly precise oscillation frequency via synchronization of the shuttle self-oscillations to an external signal. We link the established phenomenological description of synchronization based on the Adler equation to the microscopic nonlinear dynamics of the electron shuttle by calculating the effective Adler constant analytically in terms of the microscopic parameters

Progress report, Chemistry and Materials Division, October 1 to December 31, 1975

International Nuclear Information System (INIS)

1976-01-01

Interim research results are reported in solid state science (ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis), general chemistry (analytical chemistry, hydrogen-water exchange, radioactivity measurements, electrochemistry), physical chemistry (radiation and isotope chemistry), materials science (surface chemistry and metal physics), and university research (deuterium exchange and zirconium alloy properties). (E.C.B.)

High resolution surface scanning of Thick-GEM for single photo-electron detection

International Nuclear Information System (INIS)

Hamar, G.; Varga, D.

2012-01-01

An optical system for high resolution scanning of TGEM UV photon detection systems is introduced. The structure exploits the combination of a single Au-coated TGEM under study, and an asymmetric MWPC (Close Cathode Chamber) as post-amplification stage. A pulsed UV LED source with emission down to 240 nm has been focused to a spot of 0.07 mm on the TGEM surface, and single photo-electron charge spectra has been recorded over selected two dimensional regions. This way, the TGEM gain (order of 10–100) and TGEM photo-electron detection efficiency is clearly separated, unlike in case of continuous illumination. The surface structure connected to the TGEM photon detection is well observable, including inefficiencies in the holes and at the symmetry points between holes. The detection efficiency as well as the gas gain are fluctuating from hole to hole. The gain is constant in the hexagon around any hole, pointing to the fact that the gain depends on hole geometry, and less on the position where the electron enters. The detection probability map strongly changes with the field strength above the TGEM surface, in relation to the change of the actual surface field configuration. The results can be confronted with position-dependent simulations of TGEM electron transfer and gas multiplication. -- Highlights: ► First demonstration of Thick GEM surface scanning with single photo-electrons. ► Resolution of 0.1 mm is sufficient to identify structures connected to TGEM surface field structure. ► Gain and detection efficiency and separately measurable. ► Detection efficiency is high in a ring around the holes, and gain is constant in the hexagonal collection regions.

Momentum spectra for single and double electron ionization of He in relativistic collisions

International Nuclear Information System (INIS)

Anon.

1997-01-01

The complete momentum spectra for single and double ionization of He by 1-GeV/u (β=0.88) U 92+ have been investigated using a classical trajectory Monte Carlo method corrected for the relativistic projectile. The 1/r 12 electron-electron interaction has been included in the post-collision region for double ionization to incorporate the effects of both the nuclear-electron and electron-electron ionizing interactions, and to access the effects of electron correlation in the electron spectra. Experimental measurements were able to determine the longitudinal momentum spectra for single ionization; these observations are in accordance with the theoretical predictions for the three-body momentum balance between projectile, recoil ion, and ionized electron. In particular, the Lorentz contraction of the Coulomb interaction of the projectile manifests itself in the decrease of the post-collision interaction of the projectile with the electron and recoil ion, causing them to recoil back-to-back as in the case for a short electromagnetic pulse. This feature is clearly displayed in both the theoretical and experimental longitudinal momentum spectra, and by comparing to calculations that are performed at the same collision speed but do not include the relativistic potentials. Moreover, collision plane spectra of the three particles demonstrate that the momenta of the recoil ion and ionized electron are preferentially equal, and opposite, to each other. The electron spectra for double ionization show that the inclusion of the electron-electron interaction in the post-collision regime partitions the combined ionization momentum of the electrons so that the electrons are preferentially emitted in opposite azimuthal angles to one another. This is in contrast to calculations made assuming independent electrons. copyright 1997 The American Physical Society

Evidence for Single Metal Two Electron Oxidative Addition and Reductive Elimination at Uranium

OpenAIRE

Gardner, Benedict M; Kefalidis, Christos E; Lu, Erli; Patel, Dipti; Mcinnes, Eric; Tuna, Floriana; Wooles, Ashley; Maron, Laurent; Liddle, Stephen

2017-01-01

Reversible single-metal two-electron oxidative addition and reductive elimination are common fundamental reactions for transition metals that underpin major catalytic transformations. However, these reactions have never been observed together in the f-block because these metals exhibit irreversible one- or multi-electron oxidation or reduction reactions. Here, we report that azobenzene oxidises sterically and electronically unsaturated uranium(III) complexes to afford a uranium(V)-imido compl...

Recent advances in the application of electron tomography to materials chemistry.

Science.gov (United States)

Leary, Rowan; Midgley, Paul A; Thomas, John Meurig

2012-10-16

Nowadays, tomography plays a central role in pureand applied science, in medicine, and in many branches of engineering and technology. It entails reconstructing the three-dimensional (3D) structure of an object from a tilt series of two-dimensional (2D) images. Its origin goes back to 1917, when Radon showed mathematically how a series of 2D projection images could be converted to the 3D structural one. Tomographic X-ray and positron scanning for 3D medical imaging, with a resolution of ∼1 mm, is now ubiquitous in major hospitals. Electron tomography, a relatively new chemical tool, with a resolution of ∼1 nm, has been recently adopted by materials chemists as an invaluable aid for the 3D study of the morphologies, spatially-discriminating chemical compositions, and defect properties of nanostructured materials. In this Account, we review the advances that have been made in facilitating the recording of the required series of 2D electron microscopic images and the subsequent process of 3D reconstruction of specimens that are vulnerable, to a greater or lesser degree, to electron beam damage. We describe how high-fidelity 3D tomograms may be obtained from relatively few 2D images by incorporating prior structural knowledge into the reconstruction process. In particular, we highlight the vital role of compressed sensing, a recently developed procedure well-known to information theorists that exploits ideas of image compression and "sparsity" (that the important image information can be captured in a reduced data set). We also touch upon another promising approach, "discrete" tomography, which builds into the reconstruction process a prior assumption that the object can be described in discrete terms, such as the number of constituent materials and their expected densities. Other advances made recently that we outline, such as the availability of aberration-corrected electron microscopes, electron wavelength monochromators, and sophisticated specimen goniometers

Chemistry Division: Annual progress report for period ending March 31, 1987

Energy Technology Data Exchange (ETDEWEB)

1987-08-01

This report is divided into the following sections: coal chemistry; aqueous chemistry at high temperatures and pressures; geochemistry of crustal processes to high temperatures and pressures; chemistry of advanced inorganic materials; structure and dynamics of advanced polymeric materials; chemistry of transuranium elements and compounds; separations chemistry; reactions and catalysis in molten salts; surface science related to heterogeneous catalysis; electron spectroscopy; chemistry related to nuclear waste disposal; computational modeling of security document printing; and special topics. (DLC)

Probing the chemistry, electronic structure and redox energetics in pentavalent organometallic actinide complexes

Energy Technology Data Exchange (ETDEWEB)

Graves, Christopher R [Los Alamos National Laboratory; Vaughn, Anthony E [Los Alamos National Laboratory; Morris, David E [Los Alamos National Laboratory; Kiplinger, Jaqueline L [Los Alamos National Laboratory

2008-01-01

Complexes of the early actinides (Th-Pu) have gained considerable prominence in organometallic chemistry as they have been shown to undergo chemistries not observed with their transition- or lanthanide metal counterparts. Further, while bonding in f-element complexes has historically been considered to be ionic, the issue of covalence remains a subject of debate in the area of actinide science, and studies aimed at elucidating key bonding interactions with 5f-orbitals continue to garner attention. Towards this end, our interests have focused on the role that metal oxidation state plays in the structure, reactivity and spectral properties of organouranium complexes. We report our progress in the synthesis of substituted U{sup V}-imido complexes using various routes: (1) Direct oxidation of U{sup IV}-imido complexes with copper(I) salts; (2) Salt metathesis with U{sup V}-imido halides; (3) Protonolysis and insertion of an U{sup V}-imido alkyl or aryl complex with H-N{double_bond}CPh{sub 2} or N{triple_bond}C-Ph, respectively, to form a U{sup V}-imido ketimide complex. Further, we report and compare the crystallographic, electrochemical, spectroscopic and magnetic characterization of the pentavalent uranium (C{sub 5}Me{sub 5}){sub 2}U({double_bond}N-Ar)(Y) series (Y = OTf, SPh, C{triple_bond}C-Ph, NPh{sub 2}, OPh, N{double_bond}CPh{sub 2}) to further interrogate the molecular, electronic, and magnetic structures of this new class of uranium complexes.

A photon position sensor consisting of single-electron circuits

International Nuclear Information System (INIS)

Kikombo, Andrew Kilinga; Amemiya, Yoshihito; Tabe, Michiharu

2009-01-01

This paper proposes a solid-state sensor that can detect the position of incident photons with a high spatial resolution. The sensor consists of a two-dimensional array of single-electron oscillators, each coupled to its neighbors through coupling capacitors. An incident photon triggers an excitatory circular wave of electron tunneling in the oscillator array. The wave propagates in all directions to reach the periphery of the array. By measuring the arrival time of the wave at the periphery, we can know the position of the incident photon. The tunneling wave's generation, propagation, arrival at the array periphery, and the determination of incident photon positions are demonstrated with the results of Monte Carlo based computer simulations.

Transport Characteristics of Mesoscopic Radio-Frequency Single Electron Transistor

International Nuclear Information System (INIS)

Phillips, A. H.; Kirah, K.; Aly, N. A. I.; El-Sayes, H. E.

2008-01-01

The transport property of a quantum dot under the influence of external time-dependent field is investigated. The mesoscopic device is modelled as semiconductor quantum dot coupled weakly to superconducting leads via asymmetric double tunnel barriers of different heights. An expression for the current is deduced by using the Landauer–Buttiker formula, taking into consideration of both the Coulomb blockade effect and the magnetic field. It is found that the periodic oscillation of the current with the magnetic field is controlled by the ratio of the frequency of the applied ac-field to the electron cyclotron frequency. Our results show that the present device operates as a radio-frequency single electron transistor

Single-molecule electron tunnelling through multiple redox levels with environmental relaxation

DEFF Research Database (Denmark)

Kuznetsov, A.M.; Ulstrup, Jens

2004-01-01

represent the substrate and tip in electrochemical in situ scanning tunnelling microscopy. An equivalent three-electrode configuration represents a molecular single-electron transistor in which the enclosing electrodes constitute source and drain, and the reference electrode the gate. Current-bias voltage...... relations at fixed electrochemical overpotential or gate voltage, and current-overpotential or current-gate voltage relations at fixed bias voltage are equivalent in the two systems. Due to the activation-less nature of the processes, electron flow between the electrodes through the molecular redox levels...... level(s) subsequent to electron transfer. Several physical mechanisms can be distinguished and distinctive current-overpotential/gate voltage or current-bias voltage relations obtained. These reflect electronic level separation, environmental nuclear reorganisation, and coherent or incoherent multi...

Chemistry of green encapsulating molding compounds at interfaces with other materials in electronic devices

Energy Technology Data Exchange (ETDEWEB)

Scandurra, A.; Zafarana, R.; Tenya, Y.; Pignataro, S

2004-07-31

The interface chemistry between encapsulating epoxy phenolic molding compound (EMC) containing phosphorous based organic flame retardant (the so called 'green materials') and copper oxide-hydroxide and aluminum oxide-hydroxide surfaces have been studied in comparison with 'conventional' EMC containing bromine and antimony as flame retardant. These green materials are designed to reduce the presence of toxic elements in the electronic packages and, consequently, in the environment. For the study were used a Scanning Acoustic Microscopy for delamination measurements, a dynamometer for the pull strength measurements and an ESCA spectrometer for chemical analysis of the interface. The general behavior of the green compound in terms of delamination, adhesion, and corrosion is found better or at least comparable than that of the conventional EMC.

Final technical brief / DOE grant DE-FG03-96 ER 62219. Computational study of electron tunneling in proteins

Energy Technology Data Exchange (ETDEWEB)

Jeffrey J. Regan

1999-03-03

Electron transfer (ET) processes in proteins are characterized by the motion of a single electron between centers of localization (such as the chlorophyll dimer in photosynthetic reaction centers). An electronic donor state D is created by the injection of an electron or by photo-excitation, after which the system makes a radiationless transition to an acceptor state A., resulting in the effective transfer of an electron over several angstroms. The experimental and theoretical understanding of the rate of this process has been the focus of much attention in physics, chemistry and biology.

A study of how precursor key concepts for organic chemistry success are understood by general chemistry students

Science.gov (United States)

Meyer, Patrick Gerard

This study examines college student understanding of key concepts that will support future organic chemistry success as determined by university instructors. During four one-hour individual interviews the sixteen subjects attempted to solve general chemistry problems. A think-aloud protocol was used along with a whiteboard where the students could draw and illustrate their ideas. The protocols for the interviews were adapted from the Covalent Structure and Bonding two-tiered multiple choice diagnostic instrument (Peterson, Treagust, & Garnett, 1989) and augmented by the Geometry and Polarity of Molecules single-tiered multiple choice instrument (Furio & Calatayud, 1996). The interviews were videotaped, transcribed, and coded for analysis to determine the subjects' understanding of the key ideas. The subjects displayed many misconceptions that were summarized into nine assertions about student conceptualization of chemistry. (1) Many students misunderstand the location and nature of intermolecular forces. (2) Some think electronegativity differences among atoms in a molecule are sufficient to make the molecule polar, regardless of spatial arrangement. (3) Most know that higher phase change temperatures imply stronger intermolecular attractions, but many do not understand the difference between covalent molecular and covalent network substances. (4) Many have difficulty deciding whether a molecule is polar or non-polar, often confusing bilateral symmetry with spatial symmetry in all three dimensions. (5) Many cannot reliably draw correct Lewis structures due to carelessness and overuse of flawed algorithms. (6) Many are confused by how electrons can both repel one other and facilitate bonding between atoms via orbitals---this seems oxymoronic to them. (7) Many cannot explain why the atoms of certain elements do not follow the octet rule and some believe the octet rule alone can determine the shape of a molecule. (8) Most do know that electronegativity and polarity

Smart Cities Will Need Chemistry

Directory of Open Access Journals (Sweden)

Alexandru WOINAROSCHY

2016-06-01

Full Text Available A smart city is a sustainable and efficient urban centre that provides a high quality of life to its inhabitants through optimal management of its resources. Chemical industry has a key role to play in the sustainable evolution of the smart cities. Additionally, chemistry is at the heart of all modern industries, including electronics, information technology, biotechnology and nano-technology. Chemistry can make the smart cities project more sustainable, more energy efficient and more cost effective. There are six broad critical elements of any smart city: water management systems; infrastructure; transportation; energy; waste management and raw materials consumption. In all these elements chemistry and chemical engineering are deeply involved.

Mass spectrometry. [in organic chemistry

Science.gov (United States)

Burlingame, A. L.; Shackleton, C. H. L.; Howe, I.; Chizhov, O. S.

1978-01-01

A review of mass spectrometry in organic chemistry is given, dealing with advances in instrumentation and computer techniques, selected topics in gas-phase ion chemistry, and applications in such fields as biomedicine, natural-product studies, and environmental pollution analysis. Innovative techniques and instrumentation are discussed, along with chromatographic-mass spectrometric on-line computer techniques, mass spectral interpretation and management techniques, and such topics in gas-phase ion chemistry as electron-impact ionization and decomposition, photoionization, field ionization and desorption, high-pressure mass spectrometry, ion cyclotron resonance, and isomerization reactions of organic ions. Applications of mass spectrometry are examined with respect to bio-oligomers and their constituents, biomedically important substances, microbiology, environmental organic analysis, and organic geochemistry.

Advances in water chemistry control for BWRs and PWRs

International Nuclear Information System (INIS)

Wood, C.J.

1997-01-01

This paper is an overview of the effects of water chemistry developments on the current operation of nuclear power plants in the United States, and the mitigation of corrosion-related degradation processes and radiation field build-up processes through the use of advanced water chemistry. Recent modifications in water chemistry to control and reduce radiation fields are outlined, including revisions to the EPRI water chemistry guidelines for BWRs and PWR primary and secondary systems. The change from a single water chemistry specification for all plants to a set of options, from which a plant-specific chemistry programme can be defined, is described. (author)

From radiation chemistry to radiation engineering

International Nuclear Information System (INIS)

Ballantine, D.S.

1976-01-01

During the past 25 years there has been a steady recognition that radiation in the form of electrons or gamma rays can offer positive advantages as a processing technology. Underlying this process industry, and largely responsible for its success, are significant contributions from the field of basic and applied radiation chemistry. In this paper it is attempted to relate fundamental radiation chemistry studies directly to the practical engineering applications

Uranium chemistry: significant advances

International Nuclear Information System (INIS)

Mazzanti, M.

2011-01-01

The author reviews recent progress in uranium chemistry achieved in CEA laboratories. Like its neighbors in the Mendeleev chart uranium undergoes hydrolysis, oxidation and disproportionation reactions which make the chemistry of these species in water highly complex. The study of the chemistry of uranium in an anhydrous medium has led to correlate the structural and electronic differences observed in the interaction of uranium(III) and the lanthanides(III) with nitrogen or sulfur molecules and the effectiveness of these molecules in An(III)/Ln(III) separation via liquid-liquid extraction. Recent work on the redox reactivity of trivalent uranium U(III) in an organic medium with molecules such as water or an azide ion (N 3 - ) in stoichiometric quantities, led to extremely interesting uranium aggregates particular those involved in actinide migration in the environment or in aggregation problems in the fuel processing cycle. Another significant advance was the discovery of a compound containing the uranyl ion with a degree of oxidation (V) UO 2 + , obtained by oxidation of uranium(III). Recently chemists have succeeded in blocking the disproportionation reaction of uranyl(V) and in stabilizing polymetallic complexes of uranyl(V), opening the way to to a systematic study of the reactivity and the electronic and magnetic properties of uranyl(V) compounds. (A.C.)

Designing the Next-Generation Chemistry Journal: The Internet Journal of Chemistry.

Science.gov (United States)

Bachrach, Steven M.; Burleigh, Darin C.; Krassivine, Anatoli

1998-01-01

Discusses how the journal "Internet Journal of Chemistry" is designed to take advantage of newly available technologies. Describes the development of the concept of an electronic journal, decision-making on the scope and coverage of the journal, financial logistics, and how the journal will be implemented. Includes perspectives on how this new…

Radiation chemistry of the alkali halides

International Nuclear Information System (INIS)

Robinson, V.J.; Chandratillake, M.R.

1987-01-01

By far the most thoroughly investigated group of compounds in solid-state radiation chemistry are the alkali halides. Some of the reasons are undoubtedly practical: large single crystals of high purity are readily prepared. The crystals are transparent over a wide range of wavelengths. They are more sensitive to radiation damage than most other ionic solids. The crystals have simple well-defined structures, and the products of radiolysis have also in many cases been clearly identified by a variety of experimental techniques, the most important being optical methods and electron paramagnetic resonance (EPR). In recent years the application of pulse techniques-radiolysis and laser photolysis-has yielded a wealth of information concerning the mechanisms of the primary processes of radiation damage, on the one hand, and of thermal and photolytic reactions that the radiolysis products undergo, on the other

Control and Characterization of Titanium Dioxide Morphology: Applications in Surface Organometallic Chemistry

KAUST Repository

Jeantelot, Gabriel

2014-05-01

Surface Organometallic Chemistry leads to the combination of the high activity and specificity of homogeneous catalysts with the recoverability and practicality of heterogeneous catalysts. Most metal complexes used in this chemistry are grafted on metal oxide supports such as amorphous silica (SiO2) and γ-alumina (Al2O3). In this thesis, we sought to enable the use of titania (TiO2) as a new support for single-site well-defined grafting of metal complexes. This was achieved by synthesizing a special type of anatase-TiO2, bearing a high density of identical hydroxyl groups, through hydrothermal synthesis then post-treatment under high vacuum followed by oxygen flow, and characterized by several analytical techniques including X-ray diffraction, transmission electron microscopy, infrared spectroscopy and nuclear magnetic resonance. Finally, as a proof of concept, the grafting of vanadium oxychloride (VOCl3) was successfully attempted.

Observation of negative differential resistance and single-electron tunneling in electromigrated break junctions

International Nuclear Information System (INIS)

Noguchi, Yutaka; Ueda, Rieko; Kubota, Tohru; Kamikado, Toshiya; Yokoyama, Shiyoshi; Nagase, Takashi

2008-01-01

We observed a negative differential resistance (NDR) along with single-electron tunneling (SET) in the electron transport of electromigrated break junctions with metal-free tetraphenylporphyrin (H 2 BSTBPP) at a temperature of 11 K. The NDR strongly depended on the applied gate voltages, and appeared only in the electron tunneling region of the Coulomb diamond. We could explain the mechanism of this new type of electron transport by a model assuming a molecular Coulomb island and local density of states of the source and the drain electrodes

High resolution surface scanning of Thick-GEM for single photo-electron detection

Energy Technology Data Exchange (ETDEWEB)

Hamar, G., E-mail: hamar.gergo@wigner.mta.hu [Wigner Research Centre for Physics, Budapest (Hungary); Varga, D., E-mail: vdezso@mail.cern.ch [Eoetvoes Lorand University, Budapest (Hungary)

2012-12-01

An optical system for high resolution scanning of TGEM UV photon detection systems is introduced. The structure exploits the combination of a single Au-coated TGEM under study, and an asymmetric MWPC (Close Cathode Chamber) as post-amplification stage. A pulsed UV LED source with emission down to 240 nm has been focused to a spot of 0.07 mm on the TGEM surface, and single photo-electron charge spectra has been recorded over selected two dimensional regions. This way, the TGEM gain (order of 10-100) and TGEM photo-electron detection efficiency is clearly separated, unlike in case of continuous illumination. The surface structure connected to the TGEM photon detection is well observable, including inefficiencies in the holes and at the symmetry points between holes. The detection efficiency as well as the gas gain are fluctuating from hole to hole. The gain is constant in the hexagon around any hole, pointing to the fact that the gain depends on hole geometry, and less on the position where the electron enters. The detection probability map strongly changes with the field strength above the TGEM surface, in relation to the change of the actual surface field configuration. The results can be confronted with position-dependent simulations of TGEM electron transfer and gas multiplication. -- Highlights: Black-Right-Pointing-Pointer First demonstration of Thick GEM surface scanning with single photo-electrons. Black-Right-Pointing-Pointer Resolution of 0.1 mm is sufficient to identify structures connected to TGEM surface field structure. Black-Right-Pointing-Pointer Gain and detection efficiency and separately measurable. Black-Right-Pointing-Pointer Detection efficiency is high in a ring around the holes, and gain is constant in the hexagonal collection regions.

The electronic fine structure of 4-nitrophenyl functionalized single-walled carbon nanotubes

International Nuclear Information System (INIS)

Chakraborty, Amit K; Coleman, Karl S; Dhanak, Vinod R

2009-01-01

Controlling the electronic structure of carbon nanotubes (CNTs) is of great importance to various CNT based applications. Herein the electronic fine structure of single-walled carbon nanotube films modified with 4-nitrophenyl groups, produced following reaction with 4-nitrobenzenediazonium tetrafluoroborate, was investigated for the first time. Various techniques such as x-ray and ultra-violet photoelectron spectroscopy, and near edge x-ray absorption fine structure studies were used to explore the electronic structure, and the results were compared with the measured electrical resistances. A reduction in number of the π electronic states in the valence band consistent with the increased resistance of the functionalized nanotube films was observed.

Quantum State Transfer from a Single Photon to a Distant Quantum-Dot Electron Spin

Science.gov (United States)

He, Yu; He, Yu-Ming; Wei, Yu-Jia; Jiang, Xiao; Chen, Kai; Lu, Chao-Yang; Pan, Jian-Wei; Schneider, Christian; Kamp, Martin; Höfling, Sven

2017-08-01

Quantum state transfer from flying photons to stationary matter qubits is an important element in the realization of quantum networks. Self-assembled semiconductor quantum dots provide a promising solid-state platform hosting both single photon and spin, with an inherent light-matter interface. Here, we develop a method to coherently and actively control the single-photon frequency bins in superposition using electro-optic modulators, and measure the spin-photon entanglement with a fidelity of 0.796 ±0.020 . Further, by Greenberger-Horne-Zeilinger-type state projection on the frequency, path, and polarization degrees of freedom of a single photon, we demonstrate quantum state transfer from a single photon to a single electron spin confined in an InGaAs quantum dot, separated by 5 m. The quantum state mapping from the photon's polarization to the electron's spin is demonstrated along three different axes on the Bloch sphere, with an average fidelity of 78.5%.

A surface-gated InSb quantum well single electron transistor

International Nuclear Information System (INIS)

Orr, J M S; Buckle, P D; Fearn, M; Storey, C J; Buckle, L; Ashley, T

2007-01-01

Single electron charging effects in a surface-gated InSb/AlInSb QW structure are reported. This material, due to its large g-factor and light effective mass, offers considerable advantages over more commonly used materials, such as GaAs, for quantum information processing devices. However, differences in material and device technology result in significant processing challenges. Simple Coulomb blockade and quantized confinement models are considered to explain the observation of conductance oscillations in these structures. The charging energy (e 2 /C) is found to be comparable with the energy spectrum for single particle states (ΔE)

Progress report, Chemistry and Materials Division: 1982 July 1 - September 30

International Nuclear Information System (INIS)

1982-10-01

During the third quarter of 1982, work in solid state studies included study of energy spectra of Auger electrons from a silicon single crystal, use of an excimer laser to anneal an aluminum crystal implanted with iron atoms, studies of defects created by helium ion irradiation of a dilute copper-indium alloy crystal, and computer simulations of ion channeling in a platinum crystal surface. Work in radiation chemistry on the enhancement of water calorimetry sensitivity continued. A surface science program to understand the temporal oscillations in the oxidation of carbon monoxide over platinum continued with the study of the interaction of oxygen with the (100) crystallographic face of platinum. Studies in analytical chemistry included a comparison of fuel burnup results using 145 Nd + 146 Nd and 148 Nd, and a preliminary investigation into methods of reduction of U(VI) to U(IV), particularly electrolytic reduction. Materials science work continued on the fracture surfaces of Exel alloys cracked in hydrogen gas, the true incubation time for stress corrosion cracking in cesium-cadmium vapour mixtures, evidence for a previously unknown hexagonal phase of germanium, growth experiments in the DIDO reactor on swaged single-crystals, and examination of the first zirconium specimen purified by electrotransport in the CRNL equipment

Site-Selection in Single-Molecule Junction for Highly Reproducible Molecular Electronics.

Science.gov (United States)

Kaneko, Satoshi; Murai, Daigo; Marqués-González, Santiago; Nakamura, Hisao; Komoto, Yuki; Fujii, Shintaro; Nishino, Tomoaki; Ikeda, Katsuyoshi; Tsukagoshi, Kazuhito; Kiguchi, Manabu

2016-02-03

Adsorption sites of molecules critically determine the electric/photonic properties and the stability of heterogeneous molecule-metal interfaces. Then, selectivity of adsorption site is essential for development of the fields including organic electronics, catalysis, and biology. However, due to current technical limitations, site-selectivity, i.e., precise determination of the molecular adsorption site, remains a major challenge because of difficulty in precise selection of meaningful one among the sites. We have succeeded the single site-selection at a single-molecule junction by performing newly developed hybrid technique: simultaneous characterization of surface enhanced Raman scattering (SERS) and current-voltage (I-V) measurements. The I-V response of 1,4-benzenedithiol junctions reveals the existence of three metastable states arising from different adsorption sites. Notably, correlated SERS measurements show selectivity toward one of the adsorption sites: "bridge sites". This site-selectivity represents an essential step toward the reliable integration of individual molecules on metallic surfaces. Furthermore, the hybrid spectro-electric technique reveals the dependence of the SERS intensity on the strength of the molecule-metal interaction, showing the interdependence between the optical and electronic properties in single-molecule junctions.

An all-electric single-molecule motor.

Science.gov (United States)

Seldenthuis, Johannes S; Prins, Ferry; Thijssen, Joseph M; van der Zant, Herre S J

2010-11-23

Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat, or chemical reactions. We propose a new type of molecular motor based on electric field actuation and electric current detection of the rotational motion of a molecular dipole embedded in a three-terminal single-molecule device. The key aspect of this all-electronic design is the conjugated backbone of the molecule, which simultaneously provides the potential landscape of the rotor orientation and a real-time measure of that orientation through the modulation of the conductivity. Using quantum chemistry calculations, we show that this approach provides full control over the speed and continuity of motion, thereby combining electrical and mechanical control at the molecular level over a wide range of temperatures. Moreover, chemistry can be used to change all key parameters of the device, enabling a variety of new experiments on molecular motors.

Chemistry at the dirac point of graphene

Science.gov (United States)

Sarkar, Santanu

Graphene holds great potential as an electronic material because of its excellent transport properties, which derive from its unique Fermi surface and ballistic conductance. It exhibits extremely high mobility [~250,000 cm*2/(V*s)]. Despite its extraordinary properties, the absence of a band-gap in graphene makes it unsuitable for its use as an active element in conventional field effect transistors (FETs). Another problem with pristine graphene is its lack of solution processability, which inhibits it applications in numerous fields such as printed electronics, transparent conductors, nano-biodevices, and thin film technologies involving fuel cells, capacitors and solar cells. My thesis is focused on addressing theses issue by application of covalent chemistry on graphene. We have applied the Kolbe electro-oxidation strategy to achieve an efficient quasi-reversible electrochemical grafting of the naphthylmethyl radicals to graphene. The method facilitates reversible bandgap engineering in graphene and preparation of electrochemically erasable organic dielectric films. We have discovered that the zero-band-gap electronic structure of graphene enables it to function as either the diene or the dienophile in the Diels-Alder (DA) reaction, and this versatile synthetic method offers a powerful strategy for the reversible modification of the electronic properties of graphene under very mild conditions. We show that the application of the Diels-Alder (DA) chemistry to graphene, which is capable of simultaneous formation of a pair of sp3-carbon centers (balanced divacancies) in graphene, can selectively produce DA-modified graphene FET devices with mobility between 1,000-6,000 cm2V-1s-1 (with a variable range hopping transport mechanism). Most of the covalent chemistry applied on graphene leads to the change in hybridization of graphene sp2 carbon to sp3 (destructive hybridization) and the FET devices based on such covalently modified graphene shows a drastic reduction of

Research Update: Molecular electronics: The single-molecule switch and transistor

Directory of Open Access Journals (Sweden)

Kai Sotthewes

2014-01-01

Full Text Available In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected to macroscopic leads and how the transport properties of the molecule can be measured. Based on this knowledge we have realized two single-molecule devices: a molecular switch and a molecular transistor. The switch can be opened and closed at will by carefully adjusting the separation between the electrical contacts and the voltage drop across the contacts. This single-molecular switch operates in a broad temperature range from cryogenic temperatures all the way up to room temperature. Via mechanical gating, i.e., compressing or stretching of the octanethiol molecule, by varying the contact's interspace, we are able to systematically adjust the conductance of the electrode-octanethiol-electrode junction. This two-terminal single-molecule transistor is very robust, but the amplification factor is rather limited.

Radiation chemistry of aqueous solutions of acetonitrile and propionitrile

International Nuclear Information System (INIS)

Shushtarian, M.J.

1975-01-01

The radiation chemistry of water and aqueous solutions is a branch of radiation chemistry dealing with chemical changes in water and aqueous solutions induced by high energy radiations. High energy radiations of interest in radiation chemistry are short-wave electromagnetic radiations (X- and γ-rays) and fast charged particles (α- and β-particles, electrons, deuterons and fission fragments). The energy of the particles and photons bringing about chemical reactions in the field of modern radiation chemistry is much higher than that of photons causing photochemical reactions

Analysis of photogenerated random telegraph signal in single electron detector (photo-SET).

Science.gov (United States)

Troudi, M; Sghaier, Na; Kalboussi, A; Souifi, A

2010-01-04

In this paper, we analyzed slow single traps, situated inside the tunnel oxide of small area single electron photo-detector (photo-SET or nanopixel). The relationship between excitation signal (photons) and random-telegraph-signal (RTS) was evidenced. We demonstrated that photoinduced RTS observed on a photo-detector is due to the interaction between single photogenerated charges that tunnel from dot to dot and current path. Based on RTS analysis for various temperatures, gate bias and optical power we determined the characteristics of these single photogenerated traps: the energy position within the silicon bandgap, capture cross section and the position within the Si/SiO(x = 1.5) interfaces.

The performance of low-cost commercial cloud computing as an alternative in computational chemistry.

Science.gov (United States)

Thackston, Russell; Fortenberry, Ryan C

2015-05-05

The growth of commercial cloud computing (CCC) as a viable means of computational infrastructure is largely unexplored for the purposes of quantum chemistry. In this work, the PSI4 suite of computational chemistry programs is installed on five different types of Amazon World Services CCC platforms. The performance for a set of electronically excited state single-point energies is compared between these CCC platforms and typical, "in-house" physical machines. Further considerations are made for the number of cores or virtual CPUs (vCPUs, for the CCC platforms), but no considerations are made for full parallelization of the program (even though parallelization of the BLAS library is implemented), complete high-performance computing cluster utilization, or steal time. Even with this most pessimistic view of the computations, CCC resources are shown to be more cost effective for significant numbers of typical quantum chemistry computations. Large numbers of large computations are still best utilized by more traditional means, but smaller-scale research may be more effectively undertaken through CCC services. © 2015 Wiley Periodicals, Inc.

K-band single-chip electron spin resonance detector.

Science.gov (United States)

Anders, Jens; Angerhofer, Alexander; Boero, Giovanni

2012-04-01

We report on the design, fabrication, and characterization of an integrated detector for electron spin resonance spectroscopy operating at 27 GHz. The microsystem, consisting of an LC-oscillator and a frequency division module, is integrated onto a single silicon chip using a conventional complementary metal-oxide-semiconductor technology. The achieved room temperature spin sensitivity is about 10(8)spins/G Hz(1/2), with a sensitive volume of about (100 μm)(3). Operation at 77K is also demonstrated. Copyright © 2012 Elsevier Inc. All rights reserved.

Study of the surface chemistry and morphology of single walled carbon nanotube-magnetite composites

International Nuclear Information System (INIS)

Marquez-Linares, F.; Uwakweh, O.N.C.; Lopez, N.; Chavez, E.; Polanco, R.; Morant, C.; Sanz, J.M.; Elizalde, E.; Neira, C.; Nieto, S.; Roque-Malherbe, R.

2011-01-01

The study of the morphologies of the single walled carbon nanotube (SWCNT), magnetite nanoparticles (MNP), and the composite based on them was carried with combined X-ray diffraction (XRD), Raman spectroscopy (RS), scanning electron microscopy (SEM), field emission scanning electron microscopy (FESEM) and high resolution transmission electron microscopy (HRTEM). These techniques together with thermogravimetric analyses (TGA) and diffuse reflectance infrared transform spectroscopy (DRIFTS) confirmed the production of pure single phases, and that the composite material consisted of MNP attached to the outer surface of the SWCNT. The Moessbauer spectroscopy (MS) research showed the presence of a large quantity of Lewis acid sites in the highly dispersed magnetite particles supported on the SWCNT outer surface. The DRIFTS carbon dioxide adsorption study of the composites revealed significant adsorption of carbon dioxide, fundamentally in the Lewis acid sites. Then, the Lewis acid sites were observed to be catalytically active. Further, the electron exchange between the Lewis acid sites and the basic or amphoteric adsorbed molecules could influence the magnetic properties of the magnetite. Consequently, together with this first ever use of MS in the study of Lewis acid sites, this investigation revealed the potential of the composites for catalytic and sensors applications. -- Graphical abstract: A large amount of Lewis acid sites were found in the highly dispersed magnetite which is supported on the SWCNT outer surface. Display Omitted Research highlights: → The obtained materials were completely characterized with XRD, Raman and SEM-TEM. → DRIFT, TGA and adsorption of the composites allowed understand the material formation. → This is the first report of a study of Lewis sites by Moessbauer spectroscopy.

Single-electron capture in keV Ar15+...18++He collisions

NARCIS (Netherlands)

Knoop, S.; Fischer, D.; Xue, Y.; Zapukhlyak, M.; Osborne, C. J.; Ergler, Th; Ferger, T.; Braun, J.; Brenner, G.; Bruhns, H.; Dimopoulou, C.; Epp, S. W.; Martinez, A. J. Gonzalez; Sikler, G.; Orts, R. Soria; Tawara, H.; Kirchner, T.; Lopez-Urrutia, J. R. Crespo; Moshammer, R.; Ullrich, J.; Hoekstra, R.; Gonzales Martinez, A.J.

2008-01-01

Single-electron capture in 14 keV q(-1) Ar15+...18++He collisions is investigated both experimentally and theoretically. Partial cross sections and projectile scattering angle dependencies have been deduced from the target ion recoil momenta measured by the COLTRIMS technique. The comparison with

Ionization of xenon by electrons: Partial cross sections for single, double, and triple ionization

International Nuclear Information System (INIS)

Mathur, D.; Badrinathan, C.

1987-01-01

High-sensitivity measurements of relative partial cross sections for single, double, and triple ionization of Xe by electron impact have been carried out in the energy region from threshold to 100 eV using a crossed-beam apparatus incorporating a quadrupole mass spectrometer. The weighted sum of the relative partial cross sections at 50 eV are normalized to the total ionization cross section of Rapp and Englander-Golden to yield absolute cross-section functions. Shapes of the partial cross sections for single and double ionization are difficult to account for within a single-particle picture. Comparison of the Xe + data with 4d partial photoionization cross-section measurements indicates the important role played by many-body effects in describing electron-impact ionization of high-Z atoms

Solid state radiation chemistry. Features important in basic research and applications

International Nuclear Information System (INIS)

Zagorski, Z.P.

1998-01-01

The basic research of chemical radiation effects has been mostly proceeded in aqueous systems. When one turns from aqueous to the 'dry solute' systems, reactions are running in a very different way. The examined compound, previously the solute, becomes then the only constituent of the system, absorbing all ionising energy. Majority of dosimeters and of radiation processed systems is solid: these are crystalline or rigid substances of high viscosity, sometimes of complicated phase-compositions being no longer homogenous like liquids. Main features of the solid (and rigid) state radiation chemistry is to be discussed in five parts: I. Character of absorption process. Absorption of radiation is in all media heterogenous on the molecular level, i.e. with formation of single- and multi-ionisation spurs. The yield of the latters is 15-25% of the total ionisations, depending on the system, even at low LET radiation. In spite of random distribution of initial ionisations, the single-ionisation spurs can turn rapidly into specifically arranged, temporal localisations. The variety of spur reactions is usually more complicated than that in aqueous systems. II. Character of transients. Intermediates in solid state radiation chemistry exhibit very different transport properties: from free electrons moving fast and far, to electrons changing the position by different physicochemical mechanisms, to easy movable H-atoms, and to practically unmovable, only vibrating, new fragments of a lattice or glass. III. Paramagnetic intermediates. Radicals living for microseconds in liquids, when created and trapped in a solid matrix are usually very stable, e.g. they can have a difference of half-life times of 12 orders of magnitude, however their chemical composition remais identical. (author)

Detecting single-electron events in TEM using low-cost electronics and a silicon strip sensor.

Science.gov (United States)

Gontard, Lionel C; Moldovan, Grigore; Carmona-Galán, Ricardo; Lin, Chao; Kirkland, Angus I

2014-04-01

There is great interest in developing novel position-sensitive direct detectors for transmission electron microscopy (TEM) that do not rely in the conversion of electrons into photons. Direct imaging improves contrast and efficiency and allows the operation of the microscope at lower energies and at lower doses without loss in resolution, which is especially important for studying soft materials and biological samples. We investigate the feasibility of employing a silicon strip detector as an imaging detector for TEM. This device, routinely used in high-energy particle physics, can detect small variations in electric current associated with the impact of a single charged particle. The main advantages of using this type of sensor for direct imaging in TEM are its intrinsic radiation hardness and large detection area. Here, we detail design, simulation, fabrication and tests in a TEM of the front-end electronics developed using low-cost discrete components and discuss the limitations and applications of this technology for TEM.

Single-side electron multipacting at the photocathode in rf guns

Directory of Open Access Journals (Sweden)

Jang-Hui Han

2008-01-01

Full Text Available Multiple electron impacting (multipacting can take place in rf fields when the rf components are composed of materials with a secondary electron yield greater than one. In rf gun cavities, multipacting may change the properties of the vacuum components or even damage them. First systematic measurements of the multipacting occurring in a photocathode rf gun were made at the Fermilab/NICADD Photoinjector Laboratory in 2000. The multipacting properties were found to depend on the cathode material and the solenoid field configuration. In this study, we measure the multipacting properties in more detail and model the secondary electron generation for numerical simulation. Measurements and simulations for the photoinjectors at Fermilab and DESY are compared. The multipacting takes place at the photocathode in rf guns and is categorized as single-side multipacting. In a low rf field, the electrons emitted from the cathode area do not leave the gun cavity within one rf cycle and have an opportunity to travel back and hit the cathode. The solenoid field distribution in the vicinity of the cathode changes the probability of electron bombardment of the cathode and makes a major contribution to the multipacting behavior.

Coulomb Blockade and Multiple Andreev Reflection in a Superconducting Single-Electron Transistor

Science.gov (United States)

Lorenz, Thomas; Sprenger, Susanne; Scheer, Elke

2018-06-01

In superconducting quantum point contacts, multiple Andreev reflection (MAR), which describes the coherent transport of m quasiparticles each carrying an electron charge with m≥3, sets in at voltage thresholds eV = 2Δ /m. In single-electron transistors, Coulomb blockade, however, suppresses the current at low voltage. The required voltage for charge transport increases with the square of the effective charge eV∝ ( me) ^2. Thus, studying the charge transport in all-superconducting single-electron transistors (SSETs) sets these two phenomena into competition. In this article, we present the fabrication as well as a measurement scheme and transport data for a SSET with one junction in which the transmission and thereby the MAR contributions can be continuously tuned. All regimes from weak to strong coupling are addressed. We extend the Orthodox theory by incorporating MAR processes to describe the observed data qualitatively. We detect a new transport process the nature of which is unclear at present. Furthermore, we observe a renormalization of the charging energy when approaching the strong coupling regime.

Investigation of pyroelectric electron emission from monodomain lithium niobate single crystals

International Nuclear Information System (INIS)

Bourim, El Mostafa; Moon, Chang-Wook; Lee, Seung-Woon; Kyeong Yoo, In

2006-01-01

The behaviors of thermally stimulated electron emission from pyroelectric monodomain lithium niobate single crystal (LiNbO 3 ) were investigated by utilizing a Si p-n junction photodiode as electron detector and a receptive electron beam resist (E-beam resist) as electron collector. In high vacuum (10 -6 Torr), the pyroelectric electron emission (PEE) was found to depend on the exposed emitting polar crystal surface (+Z face or -Z face) and was significantly influenced by the emitter-electron receiver gap distances. Thus, the PEE from +Z face was detected during heating and was activated, in small gaps ( 2 mm) the emission was simply mastered by field emission effect. Whereas, The PEE from -Z face was detected during cooling and was solely due to the field ionization effect. Therewith, for small gaps ( 2 mm) PEE was governed by field ionization generating a soft and continuous plasma ambient atmosphere. Significant decrease of electron emission current was observed from +Z face after successive thermal cycles. A fast and fully emission recovery was established after a brief exposure of crystal to a poor air vacuum of 10 -1 Torr

Progress report, Chemistry and Materials Division, 1 April to 30 June, 1979

International Nuclear Information System (INIS)

1979-07-01

Research results are reported by groups investigating ion penetration, nuclear methods of analysis, accelerator operation, general analytical chemistry, radoactivity measurement, deuterium analysis, electrochemistry, mass spectrometry and fuel analysis, radiation chemistry and laser photochemistry, hydrogen-water exchange, isotope chemistry, surface chemistry, and electron microscopy. Work in an associated laboratory at the University of Toronto on isotopic changes in reaction rates is reported. (L.L.)

Progress report, Chemistry and Materials Division, April 1 to June 30, 1977

International Nuclear Information System (INIS)

1977-07-01

Research results are reported in such areas as ion penetration, electron microscopy, metal physics and radiation damage, nuclear methods of analysis, fuel analysis, and general analytical chemistry, electrochemistry, radiation chemistry, hydrogen-deuterium exchange, and surface chemistry of nuclear materials like zirconium base alloys. (E.C.B.)

Progress report, Chemistry and Materials Division, January 1 to March 31, 1976

International Nuclear Information System (INIS)

1976-05-01

Interim results are reported in research fields roughly classified as ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, analytical chemistry, deuterium separation, radioactivity measurement, radiation and isotope chemistry, and surface chemistry and metal physics, primarily of zirconium alloys. (E.C.B.)

Progress report, Chemistry and Materials Division, January 1 to March 31, 1977

International Nuclear Information System (INIS)

1977-04-01

Results are described of research on ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, computer calculating methods, analytical chemistry, deuterium exchange, radioactivity measurement, electrochemistry, mass spectrometry and fuel analysis, radiation chemistry, surface chemistry, and properties of zirconium base alloys. (E.C.B.)

Femtosecond few- to single-electron point-projection microscopy for nanoscale dynamic imaging

Directory of Open Access Journals (Sweden)

A. R. Bainbridge

2016-03-01

Full Text Available Femtosecond electron microscopy produces real-space images of matter in a series of ultrafast snapshots. Pulses of electrons self-disperse under space-charge broadening, so without compression, the ideal operation mode is a single electron per pulse. Here, we demonstrate femtosecond single-electron point projection microscopy (fs-ePPM in a laser-pump fs-e-probe configuration. The electrons have an energy of only 150 eV and take tens of picoseconds to propagate to the object under study. Nonetheless, we achieve a temporal resolution with a standard deviation of 114 fs (equivalent to a full-width at half-maximum of 269 ± 40 fs combined with a spatial resolution of 100 nm, applied to a localized region of charge at the apex of a nanoscale metal tip induced by 30 fs 800 nm laser pulses at 50 kHz. These observations demonstrate real-space imaging of reversible processes, such as tracking charge distributions, is feasible whilst maintaining femtosecond resolution. Our findings could find application as a characterization method, which, depending on geometry, could resolve tens of femtoseconds and tens of nanometres. Dynamically imaging electric and magnetic fields and charge distributions on sub-micron length scales opens new avenues of ultrafast dynamics. Furthermore, through the use of active compression, such pulses are an ideal seed for few-femtosecond to attosecond imaging applications which will access sub-optical cycle processes in nanoplasmonics.

Investigation of the chemistry of the dielectric/FeCoTb interface by x-ray photoelectron spectroscopy and Auger electron spectroscopy

International Nuclear Information System (INIS)

Stickle, W.F.; Coulman, D.

1987-01-01

The interfacial chemistry of magneto-optic structures of sputter deposited SiO, SiO 2 , Si 3 N 4 /FeCoTb/SiO, SiO 2 , and Si 3 N 4 was studied in detail by x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). XPS and AES depth profiles have revealed a substantial amount of redox chemistry at the dielectric/rare-earth transition metal interfaces. The chemical reactions occur preferentially with the terbium as revealed in the XPS portion of the study by the formation of terbium oxide and terbium silicide. In the case of Si 3 N 4 evidence of TbN/sub x/ has also been observed. ''As deposited'' and annealed samples of the magneto-optic structures are compared and contrasted. It is concluded that Si 3 N 4 is a superior dielectric for magneto-optic media

Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

KAUST Repository

Chen, Chen; Joshi, Trinity; Li, Huifang; Chavez, Anton D.; Pedramrazi, Zahra; Liu, Pei-Nian; Li, Hong; Dichtel, William R.; Bredas, Jean-Luc; Crommie, Michael F.

2017-01-01

We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde

MIS hot electron devices for enhancement of surface reactivity by hot electrons

DEFF Research Database (Denmark)

Thomsen, Lasse Bjørchmar

A Metal-Insulator-Semiconductor (MIS) based device is developed for investigation of hot electron enhanced chemistry. A model of the device is presented explaining the key concepts of the functionality and the character- istics. The MIS hot electron emitter is fabricated using cleanroom technology...... and the process sequence is described. An Ultra High Vacuum (UHV) setup is modified to facilitate experiments with electron emission from the MIS hot electron emitters and hot electron chemistry. Simulations show the importance of keeping tunnel barrier roughness to an absolute minimum. The tunnel oxide...... to be an important energy loss center for the electrons tunneling through the oxide lowering the emission e±ciency of a factor of 10 for a 1 nm Ti layer thickness. Electron emission is observed under ambient pressure conditions and in up to 2 bars of Ar. 2 bar Ar decrease the emission current by an order...

Effectiveness of electronic stability control on single-vehicle accidents

DEFF Research Database (Denmark)

Lyckegaard, Allan; Hels, Tove; Bernhoft, Inger Marie

2015-01-01

the injury severity categories (slight, severe, and fatal). Conclusions: In line with previous results, this study concludes that ESC reduces the risk for single-vehicle injury accidents by 31% when controlling for various confounding factors related to the driver, the car, and the accident surroundings......Objective: This study aims at evaluating the effectiveness of electronic stability control (ESC) on single-vehicle injury accidents while controlling for a number of confounders influencing the accident risk. Methods: Using police-registered injury accidents from 2004 to 2011 in Denmark with cars...... the following were significant. For the driver: Age, gender, driving experience, valid driving license, and seat belt use. For the vehicle: Year of registration, weight, and ESC. For the accident surroundings: Visibility, light, and location. Finally, for the road: Speed limit, surface, and section...

Electronic Structure of Single- and Multiple-shell Carbon Fullerenes

OpenAIRE

Lin, Yeong-Lieh; Nori, Franco

1993-01-01

We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the $\\pi$-state energy spectra of large fullerene cages: $C_{240}$, $C_{540}$, $C_{960}$, $C_{1500}$, $C_{2160}$ and $C_{2940}$. Our iteration technique reduces the dimensionality of the problem by more than one order of magnitude (factors of $\\...

Resonance estimates for single spin asymmetries in elastic electron-nucleon scattering

International Nuclear Information System (INIS)

Barbara Pasquini; Marc Vanderhaeghen

2004-01-01

We discuss the target and beam normal spin asymmetries in elastic electron-nucleon scattering which depend on the imaginary part of two-photon exchange processes between electron and nucleon. We express this imaginary part as a phase space integral over the doubly virtual Compton scattering tensor on the nucleon. We use unitarity to model the doubly virtual Compton scattering tensor in the resonance region in terms of γ* N → π N electroabsorption amplitudes. Taking those amplitudes from a phenomenological analysis of pion electroproduction observables, we present results for beam and target normal single spin asymmetries for elastic electron-nucleon scattering for beam energies below 1 GeV and in the 1-3 GeV region, where several experiments are performed or are in progress

A 4096-pixel MAPS detector used to investigate the single-electron distribution in a Young–Feynman two-slit interference experiment

Energy Technology Data Exchange (ETDEWEB)

Gabrielli, A. [Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Department of Physics, University of Bologna (Italy); Giorgi, F.M., E-mail: giorgi@bo.infn.it [Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Semprini, N.; Villa, M.; Zoccoli, A. [Istituto Nazionale di Fisica Nucleare, Bologna (Italy); Department of Physics, University of Bologna (Italy); Matteucci, G.; Pozzi, G. [Department of Physics, University of Bologna (Italy); Frabboni, S. [Department of Physics, University of Modena and Reggio Emilia (Italy); CNR-Institute of Nanoscience-S3, Modena (Italy); Gazzadi, G.C. [CNR-Institute of Nanoscience-S3, Modena (Italy)

2013-01-21

A monolithic CMOS detector, made of 4096 active pixels developed for HEP collider experiments, has been used in the Young–Feynman two-slit experiment with single electrons. The experiment has been carried out by inserting two nanometric slits in a transmission electron microscope that provided the electron beam source and the electro-optical lenses for projecting and focusing the interference pattern on the sensor. The fast readout of the sensor, in principle capable to manage up to 10{sup 6} frames per second, allowed to record single-electron frames spaced by several empty frames. In this way, for the first time in a single-electron two-slit experiment, the time distribution of electron arrivals has been measured with a resolution of 165μs. In addition, high statistics samples of single-electron events were collected within a time interval short enough to be compatible with the stability of the system and coherence conditions of the illumination.

High Pressure Preignition Chemistry of Hydrocarbons and Hydrocarbon Mixtures

National Research Council Canada - National Science Library

Cernansky, N.P

1998-01-01

.... The research program entailed mechanistic studies examining the oxidation chemistry of single-component hydrocarbons and ignition studies examining the overall ignition of pure single component fuels and fuel blends...

Peering through the mist: systematic review of what the chemistry of contaminants in electronic cigarettes tells us about health risks.

Science.gov (United States)

Burstyn, Igor

2014-01-09

Electronic cigarettes (e-cigarettes) are generally recognized as a safer alternative to combusted tobacco products, but there are conflicting claims about the degree to which these products warrant concern for the health of the vapers (e-cigarette users). This paper reviews available data on chemistry of aerosols and liquids of electronic cigarettes and compares modeled exposure of vapers with occupational safety standards. Both peer-reviewed and "grey" literature were accessed and more than 9,000 observations of highly variable quality were extracted. Comparisons to the most universally recognized workplace exposure standards, Threshold Limit Values (TLVs), were conducted under "worst case" assumptions about both chemical content of aerosol and liquids as well as behavior of vapers. There was no evidence of potential for exposures of e-cigarette users to contaminants that are associated with risk to health at a level that would warrant attention if it were an involuntary workplace exposures. The vast majority of predicted exposures are knowledge about chemistry of liquids and aerosols associated with electronic cigarettes indicates that there is no evidence that vaping produces inhalable exposures to contaminants of the aerosol that would warrant health concerns by the standards that are used to ensure safety of workplaces. However, the aerosol generated during vaping as a whole (contaminants plus declared ingredients) creates personal exposures that would justify surveillance of health among exposed persons in conjunction with investigation of means to keep any adverse health effects as low as reasonably achievable. Exposures of bystanders are likely to be orders of magnitude less, and thus pose no apparent concern.

Frontend electronics for high-precision single photo-electron timing using FPGA-TDCs

Energy Technology Data Exchange (ETDEWEB)

Cardinali, Matteo [Helmholtz Institut Mainz (Germany); Collaboration: PANDA Cherenkov-Collaboration

2014-07-01

The next generation of high-luminosity experiments requires excellent Particle Identification (PID) detectors which calls for Imaging Cherenkov counters with fast electronics to cope with the expected data rates. The planned PANDA experiment at FAIR expects average interaction rates of 20 MHz. A Barrel DIRC will provide PID in the central region of the Target Spectrometer. A single photo-electron timing resolution of better than 100 ps is projected for the Barrel DIRC to disentangle the complicated patterns created by the focusing optics on the image plane. The typically large amount of readout channels (approx 15,000 in case of the PANDA Barrel DIRC) places non-negligible limits on size and power consumption of the Front-End Electronics (FEE). The proposed design is based on the TRBv3 readout using FPGA-TDCs with a precision better than 20 ps RMS and custom FEE with high-bandwidth pre-amplifiers and fast discriminators. Two types of FEE cards optimised for reading out 64-channel Photonis Planacon MCP-PMTs were tested: one based on the NINO ASIC developed for the ALICE RPC readout and the other, called PaDiWa, using FPGA-based discriminators. Both types of FEE cards were tested with a small DIRC prototype comprising a radiator bar with focusing lens and an oil-filled expansion volume instrumented with 6 Planacon 64-channel MCP-PMTs. In the presentation the result of a test experiment performed at MAMI B, Mainz, are addressed.

Progress report, Chemistry and Materials Division, July 1 to September 30, 1976

International Nuclear Information System (INIS)

Preliminary results are reported on research into ion penetration, electron microscopy, radiation damage and metal physics, analytical chemistry, radiation chemistry, basic corrosion studies and isotope separation techniques. (O.T.)

Radiation Chemistry 2008 Gordon Research Conference - July 6-11, 2008

International Nuclear Information System (INIS)

Bartels, David M.

2009-01-01

Radiation Chemistry is chemistry initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create charge pairs and/or free radicals in a medium. The important transients include conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. Effects of radiation span timescales from the energy deposition in femtoseconds, through geminate recombination in picoseconds and nanoseconds, to fast radical chemistry in microseconds and milliseconds, and ultimately to processes like cancer occurring decades later. The radiation sources used to study these processes likewise run from femtosecond lasers to nanosecond accelerators to years of gamma irradiation. As a result the conference has a strong interdisciplinary flavor ranging from fundamental physics to clinical biology. While the conference focuses on fundamental science, application areas highlighted in the present conference will include nuclear power, polymer processing, and extraterrestrial chemistry.

Electron-Hole Asymmetry of Spin Injection and Transport in Single-Layer Graphene

OpenAIRE

Han, Wei; Wang, W. H.; Pi, K.; McCreary, K. M.; Bao, W.; Li, Yan; Miao, F.; Lau, C. N.; Kawakami, R. K.

2009-01-01

Spin-dependent properties of single-layer graphene (SLG) have been studied by non-local spin valve measurements at room temperature. Gate voltage dependence shows that the non-local magnetoresistance (MR) is proportional to the conductivity of the SLG, which is the predicted behavior for transparent ferromagnetic/nonmagnetic contacts. While the electron and hole bands in SLG are symmetric, gate voltage and bias dependence of the non-local MR reveal an electron-hole asymmetry in which the non-...

Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory

International Nuclear Information System (INIS)

Klymenko, M. V.; Klein, M.; Levine, R. D.; Remacle, F.

2016-01-01

A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states corresponds to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.

Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory

Energy Technology Data Exchange (ETDEWEB)

Klymenko, M. V. [Department of Chemistry, University of Liège, B4000 Liège (Belgium); Klein, M. [The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel); Levine, R. D. [The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel); Crump Institute for Molecular Imaging and Department of Molecular and Medical Pharmacology, David Geffen School of Medicine and Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095 (United States); Remacle, F., E-mail: fremacle@ulg.ac.be [Department of Chemistry, University of Liège, B4000 Liège (Belgium); The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel)

2016-07-14

A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states corresponds to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.

EPR and DNP Properties of Certain Novel Single Electron Contrast Agents Intended for Oximetric Imaging

DEFF Research Database (Denmark)

Ardenkjær-Larsen, J. H.; Laursen, I; Leunbach, I.

1998-01-01

Parameters of relevance to oximetry with Overhauser magnetic resonance imaging (OMRI) have been measured for three single electron contrast agents of the triphenylmethyl type. The single electron contrast agents are stable and water soluble. Magnetic resonance properties of the agents have been...... examined with electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), and dynamic nuclear polarization (DNP) at 9.5 mT in water, isotonic saline, plasma, and blood at 23 and 37°C. The relaxivities of the agents are about 0.2–0.4 mM−1s−1and the DNP enhancements extrapolate close...... to the dipolar limit. The agents have a single, narrow EPR line, which is analyzed as a Voigt function. The linewidth is measured as a function of the agent concentration and the oxygen concentration. The concentration broadenings are about 1–3 μT/mM and the Lorentzian linewidths at infinite dilution are less...

Single-shot 35 fs temporal resolution electron shadowgraphy

Energy Technology Data Exchange (ETDEWEB)

Scoby, C. M.; Li, R. K.; Threlkeld, E.; To, H.; Musumeci, P. [Department of Physics and Astronomy, UCLA, Los Angeles, California 90095 (United States)

2013-01-14

We obtain single-shot time-resolved shadowgraph images of the electromagnetic fields resulting from the interaction of a high intensity ultrashort laser pulse with a metal surface. Using a high brightness relativistic electron beam and a high streaking speed radiofrequency deflector, we report <35 fs temporal resolution enabling a direct visualization of the retarded-time dominated field evolution which follows the laser-induced charge emission. A model including the finite signal propagation speed well reproduces the data and yields measurements of fundamental parameters in short pulse laser-matter interaction such as the amount of emitted charge and the emission time scale.

Single-shot 35 fs temporal resolution electron shadowgraphy

International Nuclear Information System (INIS)

Scoby, C. M.; Li, R. K.; Threlkeld, E.; To, H.; Musumeci, P.

2013-01-01

We obtain single-shot time-resolved shadowgraph images of the electromagnetic fields resulting from the interaction of a high intensity ultrashort laser pulse with a metal surface. Using a high brightness relativistic electron beam and a high streaking speed radiofrequency deflector, we report <35 fs temporal resolution enabling a direct visualization of the retarded-time dominated field evolution which follows the laser-induced charge emission. A model including the finite signal propagation speed well reproduces the data and yields measurements of fundamental parameters in short pulse laser-matter interaction such as the amount of emitted charge and the emission time scale.

Electrons in water radiolysis

International Nuclear Information System (INIS)

Laverne, J.A.; Pimblott, S.M.

2006-01-01

The hydrated electron is the main reducing species produced in the radiolysis of water. Many studies have examined its reactivity using pulsed radiolysis techniques and competition kinetics. Data bases list hundreds of rate coefficients for reaction of the hydrated electron with substances ranging from inorganic ions like nitrate to biopolymers like DNA. Although the chemistry of the hydrated electron is often examined, its mechanism of formation and variation in yield are considerable less known, especially under extreme conditions such as in high temperature water or with heavy ion radiolysis. This work will examine various aspects of the radiation chemistry of the hydrated electron beginning with the generation of secondary electrons in primary energy loss events during the passage of ionizing radiation to the radiolytic yields of the hydrated electron produced by different types of radiation. Ion radiation is a 'white light source.' Energy losses range from the minimum excitation energy of the medium up to the kinematic maximum determined by the collision parameters. However, certain energy loss events are more probable than others. The dipole oscillator strength distributions of media essentially give the probability of energy loss events in collisions with no momentum transfer. Dipole oscillator distributions have been constructed from experimental data for a wide variety of materials including all the phases of water. Calculations using cross sections based on dipole oscillator distributions show that the most probable energy loss event in water is only about 20 eV with an average value closer to 60 eV. The preponderance of energy loss events of less than 100 eV means that many low energy electrons are formed by the passage of a single ion. Low energy electrons have short mean free paths and they remain in the vicinity of the primary energy loss events. The spatial distribution of these low energy electrons defines the radial track structure of the incident

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

Gregory S. Ezra a festschrift from theoretical chemistry accounts

CERN Document Server

Keshavamurthy, Srihari

2015-01-01

In this Festschrift dedicated to the 60th birthday of Gregory S. Ezra, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

Chemistry--The Big Picture

Science.gov (United States)

Cassell, Anne

2011-01-01

Chemistry produces materials and releases energy by ionic or electronic rearrangements. Three structure types affect the ease with which a reaction occurs. In the Earth's crust, "solid crystals" change chemically only with extreme heat and pressure, unless their fixed ions touch moving fluids. On the other hand, in living things, "liquid crystals"…

Abstracts of the 1. Regional Meeting on Chemistry

International Nuclear Information System (INIS)

Abstracts from papers on Analytical, Inorganic and Organic Chemistry as well as on Physico-Chemistry are presented. Emphasis is given to the following subjects: use of nuclear techniques for chemical analysis, separation processes, studies about reaction kinetics and thermodynamic properties, radioisotopes production and applications, labelled compounds, electron-molecule collisions, construction of measuring instruments and data acquisition systems. (C.L.B.) [pt

Chemistry of the actinide elements. Second edition

International Nuclear Information System (INIS)

Katz, J.J.; Seaborg, G.T.; Morss, L.R.

1987-01-01

This is an exhaustive, updated discourse on the chemistry of Actinides, Volume 1 contains a systematic coverage of the elements Ac, Th, Pa, U, Np, and Pu, which constitutes Part 1 of the work. The characterization of each element is discussed in terms of its nuclear properties, occurrence, preparation, atomic and metallic properties, chemistry of specific compounds, and solution chemistry. The first part of Volume 2 follows the same format as Volume 1 but is confined to the elements Am, Cm, Bk, Cf, and Es, plus a more condensed coverage of the Transeinsteinium elements (Fm, Md, No, Lw, and 104-109). Part 2 of this volume is devoted to a discussion of the actinide elements in general, with a specific focus on electronic spectra, thermodynamic and magnetic properties, the metallic state, structural chemistry, solution kinetics, organometallic chemistry for σ- and π-bonded compounds, and some concluding remarks on the superheavy elements

Strong coupling of a single electron in silicon to a microwave photon

Science.gov (United States)

Mi, X.; Cady, J. V.; Zajac, D. M.; Deelman, P. W.; Petta, J. R.

2017-01-01

Silicon is vital to the computing industry because of the high quality of its native oxide and well-established doping technologies. Isotopic purification has enabled quantum coherence times on the order of seconds, thereby placing silicon at the forefront of efforts to create a solid-state quantum processor. We demonstrate strong coupling of a single electron in a silicon double quantum dot to the photonic field of a microwave cavity, as shown by the observation of vacuum Rabi splitting. Strong coupling of a quantum dot electron to a cavity photon would allow for long-range qubit coupling and the long-range entanglement of electrons in semiconductor quantum dots.

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Higher Learning. ... The Series on "learning Organic Chemistry Through Natural Products". Nature is a remarkable ... skeletal structure to the interior electronic configu- ration ... Among the advantages of this approach are the fact that unlike the.

2010 Gordon Research Conference On Radiation Chemistry

International Nuclear Information System (INIS)

Orlando, Thomas

2010-01-01

The 2010 Gordon Conference on Radiation Chemistry will present cutting edge research regarding the study of radiation-induced chemical transformations. Radiation Chemistry or 'high energy' chemistry is primarily initiated by ionizing radiation: i.e. photons or particles with energy sufficient to create conduction band electrons and 'holes', excitons, ionic and neutral free radicals, highly excited states, and solvated electrons. These transients often interact or 'react' to form products vastly different than those produced under thermal equilibrium conditions. The non-equilibrium, non-thermal conditions driving radiation chemistry exist in plasmas, star-forming regions, the outer solar system, nuclear reactors, nuclear waste repositories, radiation-based medical/clinical treatment centers and in radiation/materials processing facilities. The 2010 conference has a strong interdisciplinary flavor with focus areas spanning (1) the fundamental physics and chemistry involved in ultrafast (atto/femtosecond) energy deposition events, (2) radiation-induced processes in biology (particularly spatially resolved studies), (3) radiation-induced modification of materials at the nanoscale and cosmic ray/x-ray mediated processes in planetary science/astrochemistry. While the conference concentrates on fundamental science, topical applied areas covered will also include nuclear power, materials/polymer processing, and clinical/radiation treatment in medicine. The Conference will bring together investigators at the forefront of their field, and will provide opportunities for junior scientists and graduate students to present work in poster format or as contributors to the Young Investigator session. The program and format provides excellent avenues to promote cross-disciplinary collaborations.

Structure and chemistry of model catalysts in ultrahigh vacuum

Science.gov (United States)

Walker, Joshua D.

The study of catalysis is a key area of focus not only in the industrial sector but also in the nature and biological systems. The market for catalysis is a multi-billion dollar industry. Many of the materials and products we use on a daily basis are formed through a catalytic process. The quest to understanding and improving catalytic mechanisms is ongoing. Many model catalysts use transition metals as a support for chemical reactions to take place due to their selectivity and activity. Palladium, gold, and copper metals are studied in this work and show the ability to be catalytically reactive. It is important to understand the characteristics and properties of these surfaces. A well-known example of catalysis is the conversion of carbon monoxide (CO), a very harmful gas to carbon dioxide (CO2) which is less harmful. This reaction is mainly seen in the automotive industry. This reaction is investigated in this work on a Au(111) single crystal, which is normally inert but becomes reactivity with the adsorption of oxygen on the surface. Temperature Programmed Desorption (TPD) is used to understand some of the chemistry and effects with and without the addition of H2O. The oxidation of CO is shown to be enhanced by the addition of water, but warrants further analysis too fully understand the different mechanisms and reaction pathways existing. The field of nano-electronics is rapidly growing as technology continues to challenge scientists to create innovative ideas. The trend to produce smaller electronic products is increasing as consumer demands persist. It has been shown previously that 1,4-phenlyene diisocyanobenzene (1,4-PDI) on Au(111) react to form one-dimensional oligomer chains comprising alternating gold and 1,4-PDI units on the Au(111) surface. A similar compound 1,3-phenlyene diisocyanobenzene (1,3-PDI) was studied in order to investigate whether the oligomerization found for 1,4-PDI is a general phenomenon and to ultimately explore the effect of

Applications of electron spin resonance to some problems of radiation chemistry

International Nuclear Information System (INIS)

Chachaty, C.

1969-01-01

The electron spin resonance (E.S.R.) spectra of gamma irradiated polar organic glasses, at 77 K, shows a single line centered at g ∼ 2, attributed to solvated electrons. The radicals produced on scavenging this species by electron acceptors, such as aromatic hydrocarbons, nitro-compounds and azines have been studied by E.S.R. In most cases, the radicals from these solutes, the spectra of which are observed after elimination by warming of the radicals from the matrices, are produced by protonation of the anions formed by scavenging of electrons at 77 K. Thus, in the case of glassy solutions of nitro-compounds, the radicals R NO 2 H are formed. They are characterized by a N = 15 G (nitrobenzene) or a N = 28 G (nitro-alkane). These radicals are also generated by U.V, photolysis at room temperature of solutions of nitro-compounds in alcohols and are shown to be the precursors of nitroxide radicals R - N - R (with N - O) observed simultaneously. Gamma irradiation of solutions of pyridine and of the three diazines, in alcohol glasses at 77 K, produces the radical formed by hydrogen addition to these compounds. The value of the coupling constant of the additional proton (7-10 G) indicates that it is bound to a nitrogen in the sp 2 hydridation state. One has shown, taking pyridine as an example, that the addition to a carbon gives a much greater value of the coupling constant, of the order of 50-60 G. (author) [fr

Study of single-electron excitations by electron microscopy

International Nuclear Information System (INIS)

Craven, A.J.; Gibson, J.M.; Howie, A.; Spalding, D.R.

1978-01-01

The inelastic scattering of fast electrons by the excitation of L-shell electrons at a stacking fault in silicon has been studied with a scanning transmission electron microscope. It was found that the bright-field stacking fault contrast is preserved in the filtered L-shell-loss signal at 100 eV. This result is discussed in terms of the delocalization of the excitation mechanism. It is concluded that localization effects will typically become significant only for energy transfers greater than 1 keV from a fast electron of energy 80 keV. (author)

Unimolecular Logic Gate with Classical Input by Single Gold Atoms.

Science.gov (United States)

Skidin, Dmitry; Faizy, Omid; Krüger, Justus; Eisenhut, Frank; Jancarik, Andrej; Nguyen, Khanh-Hung; Cuniberti, Gianaurelio; Gourdon, Andre; Moresco, Francesca; Joachim, Christian

2018-02-27

By a combination of solution and on-surface chemistry, we synthesized an asymmetric starphene molecule with two long anthracenyl input branches and a short naphthyl output branch on the Au(111) surface. Starting from this molecule, we could demonstrate the working principle of a single molecule NAND logic gate by selectively contacting single gold atoms by atomic manipulation to the longer branches of the molecule. The logical input "1" ("0") is defined by the interaction (noninteraction) of a gold atom with one of the input branches. The output is measured by scanning tunneling spectroscopy following the shift in energy of the electronic tunneling resonances at the end of the short branch of the molecule.

Absolute single electron loss in collisions of Ar+ with various atoms

Science.gov (United States)

Reyes, P. G.; Martínez, H.; Castillo, F.

2001-07-01

Absolute differential and total cross sections for single electron loss were measured for Ar+ ions on various atoms in the energy range of 1.5 to 5.0 keV. The laboratory angular scan for the distributions ranged from -2.5 to 2.5 degrees. The measured differential cross sections have been integrated over the experimental angular range providing absolute total cross sections. The behavior of the total electron loss cross sections with the target atomic number, Zt, shows different dependences as the collision energy increases. In all cases it displays a saturation as Zt increases.

Phonon assisted electronic transition in telluric acid ammonium phosphate single crystals

Science.gov (United States)

El-Muraikhi, M.; Kassem, M. E.; Al-Houty, L.

The effect of gamma-irradiation on the absorption optical spectra of telluric acid ammonium phosphate single crystals (TAAP) has been studied, in the wave length of 200-600 nm, for samples irradiated by various doses up to 10 Mrad. The results show that the electron phonon coupling constant increases with the irradiation dose.

Molecular materials and devices: developing new functional systems based on the coordination chemistry approach

Directory of Open Access Journals (Sweden)

Toma Henrique E.

2003-01-01

Full Text Available At the onset of the nanotechnology age, molecular designing of materials and single molecule studies are opening wide possibilities of using molecular systems in electronic and photonic devices, as well as in technological applications based on molecular switching or molecular recognition. In this sense, inorganic chemists are privileged by the possibility of using the basic strategies of coordination chemistry to build up functional supramolecular materials, conveying the remarkable chemical properties of the metal centers and the characteristics of the ancillary ligands. Coordination chemistry also provides effective self-assembly strategies based on specific metal-ligand affinity and stereochemistry. Several molecular based materials, derived from inorganic and metal-organic compounds are focused on this article, with emphasis on new supramolecular porphyrins and porphyrazines, metal-clusters and metal-polyimine complexes. Such systems are also discussed in terms of their applications in catalysis, sensors and molecular devices.

Influence of electron irradiation on hydrothermally grown zinc oxide single crystals

Science.gov (United States)

Lu, L. W.; So, C. K.; Zhu, C. Y.; Gu, Q. L.; Li, C. J.; Fung, S.; Brauer, G.; Anwand, W.; Skorupa, W.; Ling, C. C.

2008-09-01

The resistivity of hydrothermally grown ZnO single crystals increased from ~103 Ω cm to ~106 Ω cm after 1.8 MeV electron irradiation with a fluence of ~1016 cm-2, and to ~109 Ω cm as the fluence increased to ~1018 cm-2. Defects in samples were studied by thermally stimulated current (TSC) spectroscopy and positron lifetime spectroscopy (PLS). After the electron irradiation with a fluence of 1018 cm-2, the normalized TSC signal increased by a factor of ~100. A Zn vacancy was also introduced by the electron irradiation, though with a concentration lower than expected. After annealing in air at 400 °C, the resistivity and the deep traps concentrations recovered to the levels of the as-grown sample, and the Zn vacancy was removed.

The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene

Science.gov (United States)

Zhu, Ziqing; Chen, Changpeng; Liu, Jiayi; Han, Lu

2018-01-01

The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.

Nano-Electromechanical Systems: Displacement Detection and the Mechanical Single Electron Shuttle

Science.gov (United States)

Blick, R. H.; Beil, F. W.; Höhberger, E.; Erbe, A.; Weiss, C.

For an introduction to nano-electromechanical systems we present measurements on nanomechanical resonators operating in the radio frequency range. We discuss in detail two different schemes of displacement detection for mechanical resonators, namely conventional reflection measurements of a probing signal and direct detection by capacitive coupling via a gate electrode. For capacitive detection we employ an on-chip preamplifier, which enables direct measurements of the resonator's disp lacement. We observe that the mechanical quality factor of the resonator depends on the detection technique applied, which is verified in model calculations and report on the detection of sub-harmonics. In the second part we extend our investigations to include transport of single electrons through an electron island on the tip of a nanomachined mechanical pendulum. The pendulum is operated by applying a modulating electromagnetic field in the range of 1 - 200 MHz, leading to mechanical oscillations between two laterally integrated source and drain contacts. Forming tunneling barriers the metallic tip shuttles single electrons from source to drain. The resulting tunneling current shows distinct features corresponding to the discrete mechanical eigenfrequencies of the pendulum. We report on measurements covering the temperature range from 300 K down to 4.2 K. The transport properties of the device are compared in detail to model calculations based on a Master-equation approach.

Integrated Transmission Electron and Single-Molecule Fluorescence Microscopy Correlates Reactivity with Ultrastructure in a Single Catalyst Particle

OpenAIRE

Hendriks, Frank C.; Mohammadian, Sajjad; Ristanovic, Zoran; Kalirai, Samanbir; Meirer, Florian; Vogt, Eelco T. C.; Bruijnincx, Pieter C. A.; Gerritsen, Hans; Weckhuysen, Bert M.

2018-01-01

Establishing structure–activity relationships in complex, hierarchically structured nanomaterials, such as fluid catalytic cracking (FCC) catalysts, requires characterization with complementary, correlated analysis techniques. An integrated setup has been developed to perform transmission electron microscopy (TEM) and single-molecule fluorescence (SMF) microscopy on such nanostructured samples. Correlated structure–reactivity information was obtained for 100 nm thin, microtomed sections of a ...

Spectroscopy and chemistry of uranium IV

International Nuclear Information System (INIS)

Folcher, G.; Rigny, P.

1980-06-01

Different fundamental research papers on uranium IV are presented, some were never edited. Molecular spectroscopy was used for identification and structural study of uranium IV in aqueous or organic solutions. The fields studied are: coordination, stereochemistry, electronic structure and chemical properties. For interpretation of results some studies were made with solid compounds or with thorium compounds or thorium complexes. Knowledge of actinides chemistry is improved, uranium and thorium being models for 5 f ions, extractive chemistry is better understood and new applications are possible [fr

Electronic properties of excited states in single InAs quantum dots

International Nuclear Information System (INIS)

Warming, Till

2009-01-01

The application of quantum-mechanical effects in semiconductor nanostructures enables the realization of novel opto-electronic devices. Examples are given by single-photon emitters and emitters of entangled photon pairs, both being essential for quantum cryptography, or for qubit systems as needed for quantum computing. InAs/GaAs quantum dots are one of the most promising candidates for such applications. A detailed knowledge of the electronic properties of quantum dots is a prerequisite for this development. The aim of this work is an experimental access to the detailed electronic structure of the excited states in single InAs/GaAs quantum dots including few-particle effects and in particular exchange interaction. The experimental approach is micro photoluminescence excitation spectroscopy (μPLE). One of the main difficulties using μPLE to probe single QDs is the unambiguous assignment of the observed resonances in the spectrum to specific transitions. By comparing micro photoluminescence (μPL) and μPLE spectra, the identification of the main resonances becomes possible. The key is given by the fine structure of the hot trion. Excitation spectroscopy on single charged QDs enables for the first time the complete observation of a non-trivial fine structure of an excitonic complex in a QD, the hot trion. Modelling based on eight-band k.p theory in combination with a configuration interaction scheme is in excellent agreement. Therewith the simulation also enables realistic predictions on the fine structure of the ground-state exciton which is of large importance for single quantum dot devices. Theory concludes from the observed transitions that the structural symmetry of the QDs is broken. Micro photoluminescence excitation spectroscopy combined with resonantly excited micro photoluminescence enables an optical access to the single particle states of the hole without the influence of few-particle coulomb interactions. Based on this knowledge the exciton binding

Direct Profiling the Post-Translational Modification Codes of a Single Protein Immobilized on a Surface Using Cu-free Click Chemistry.

Science.gov (United States)

Kim, Kyung Lock; Park, Kyeng Min; Murray, James; Kim, Kimoon; Ryu, Sung Ho

2018-05-23

Combinatorial post-translational modifications (PTMs), which can serve as dynamic "molecular barcodes", have been proposed to regulate distinct protein functions. However, studies of combinatorial PTMs on single protein molecules have been hindered by a lack of suitable analytical methods. Here, we describe erasable single-molecule blotting (eSiMBlot) for combinatorial PTM profiling. This assay is performed in a highly multiplexed manner and leverages the benefits of covalent protein immobilization, cyclic probing with different antibodies, and single molecule fluorescence imaging. Especially, facile and efficient covalent immobilization on a surface using Cu-free click chemistry permits multiple rounds (>10) of antibody erasing/reprobing without loss of antigenicity. Moreover, cumulative detection of coregistered multiple data sets for immobilized single-epitope molecules, such as HA peptide, can be used to increase the antibody detection rate. Finally, eSiMBlot enables direct visualization and quantitative profiling of combinatorial PTM codes at the single-molecule level, as we demonstrate by revealing the novel phospho-codes of ligand-induced epidermal growth factor receptor. Thus, eSiMBlot provides an unprecedentedly simple, rapid, and versatile platform for analyzing the vast number of combinatorial PTMs in biological pathways.

New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

Energy Technology Data Exchange (ETDEWEB)

Surdoval, Wayne A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Berry, David A. [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Shultz, Travis R. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

2018-03-09

A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation and its relationship to the new equations are presented.

Tuning electron transport through a single molecular junction by bridge modification

International Nuclear Information System (INIS)

Li, Xiao-Fei; Qiu, Qi; Luo, Yi

2014-01-01

The possibility of controlling electron transport in a single molecular junction represents the ultimate goal of molecular electronics. Here, we report that the modification of bridging group makes it possible to improve the performance and obtain new functions in a single cross-conjugated molecular junction, designed from a recently synthesized bipolar molecule bithiophene naphthalene diimide. Our first principles results show that the bipolar characteristic remains after the molecule was modified and sandwiched between two metal electrodes. Rectifying is the intrinsic characteristic of the molecular junction and its performance can be enhanced by replacing the saturated bridging group with an unsaturated group. A further improvement of the rectifying and a robust negative differential resistance (NDR) behavior can be achieved by the modification of unsaturated bridge. It is revealed that the modification can induce a deviation angle about 4° between the donor and the acceptor π-conjugations, making it possible to enhance the communication between the two π systems. Meanwhile, the low energy frontier orbitals of the junction can move close to the Fermi level and encounter in energy at certain biases, thus a transport channel with a considerable transmission can be formed near the Fermi level only at a narrow bias regime, resulting in the improvement of rectifying and the robust NDR behavior. This finding could be useful for the design of single molecular devices.

Single-walled carbon nanotube networks for flexible and printed electronics

International Nuclear Information System (INIS)

Zaumseil, Jana

2015-01-01

Networks of single-walled carbon nanotubes (SWNTs) can be processed from solution and have excellent mechanical properties. They are highly flexible and stretchable. Depending on the type of nanotubes (semiconducting or metallic) they can be used as replacements for metal or transparent conductive oxide electrodes or as semiconducting layers for field-effect transistors (FETs) with high carrier mobilities. They are thus competitive alternatives to other solution-processable materials for flexible and printed electronics. This review introduces the basic properties of SWNTs, current methods for dispersion and separation of metallic and semiconducting SWNTs and techniques to deposit and pattern dense networks from dispersion. Recent examples of applications of carbon nanotubes as conductors and semiconductors in (opto-)electronic devices and integrated circuits will be discussed. (paper)

Structure and Electronic Properties of In Situ Synthesized Single-Layer MoS2 on a Gold Surface

DEFF Research Database (Denmark)

Sørensen, Signe Grønborg; Füchtbauer, Henrik Gøbel; Tuxen, Anders Kyrme

2014-01-01

When transition metal sulfides such as MoS2 are present in the single-layer form, the electronic properties change in fundamental ways, enabling them to be used, e.g., in two-dimensional semiconductor electronics, optoelectronics, and light harvesting. The change is related to a subtle modification...... with scanning tunneling microscopy and X-ray photoelectron spectroscopy characterization of two-dimensional single-layer islands of MoS2 synthesized directly on a gold single crystal substrate. Thanks to a periodic modulation of the atom stacking induced by the lattice mismatch, we observe a structural buckling...

Automated quantum chemistry based molecular dynamics simulations of electron ionization induced fragmentations of the nucleobases Uracil, Thymine, Cytosine, and Guanine.

Science.gov (United States)

Grimme, Stefan; Bauer, Christopher Alexander

2015-01-01

The gas-phase decomposition pathways of electron ionization (EI)-induced radical cations of the nucleobases uracil, thymine, cytosine, and guanine are investigated by means of mixed quantum-classical molecular dynamics. No preconceived fragmentation channels are used in the calculations. The results compare well to a plethora of experimental and theoretical data for these important biomolecules. With our combined stochastic and dynamic approach, one can access in an unbiased way the energetically available decomposition mechanisms. Additionally, we are able to separate the EI mass spectra of different tautomers of cytosine and guanine. Our method (previously termed quantum chemistry electron ionization mass spectra) reproduces free nucleobase experimental mass spectra well and provides detailed mechanistic in-sight into high-energy unimolecular decomposition processes.

Dose rate effect on micronuclei induction in human blood lymphocytes exposed to single pulse and multiple pulses of electrons.

Science.gov (United States)

Acharya, Santhosh; Bhat, N N; Joseph, Praveen; Sanjeev, Ganesh; Sreedevi, B; Narayana, Y

2011-05-01

The effects of single pulses and multiple pulses of 7 MV electrons on micronuclei (MN) induction in cytokinesis-blocked human peripheral blood lymphocytes (PBLs) were investigated over a wide range of dose rates per pulse (instantaneous dose rate). PBLs were exposed to graded doses of 2, 3, 4, 6, and 8 Gy of single electron pulses of varying pulse widths at different dose rates per pulse, ranging from 1 × 10(6) Gy s(-1) to 3.2 × 10(8) Gy s(-1). Different dose rates per pulse were achieved by changing the dose per electron pulse by adjusting the beam current and pulse width. MN yields per unit absorbed dose after irradiation with single electron pulses were compared with those of multiple pulses of electrons. A significant decrease in the MN yield with increasing dose rates per pulse was observed, when dose was delivered by a single electron pulse. However, no reduction in the MN yield was observed when dose was delivered by multiple pulses of electrons. The decrease in the yield at high dose rates per pulse suggests possible radical recombination, which leads to decreased biological damage. Cellular response to the presence of very large numbers of chromosomal breaks may also alter the damage.

Peculiar behavior of magnetoresistance in HgSe single crystal with low electron concentration

Science.gov (United States)

Lonchakov, A. T.; Bobin, S. B.; Deryushkin, V. V.; Okulov, V. I.; Govorkova, T. E.; Neverov, V. N.

2018-02-01

Magnetoresistive properties of the single crystal of HgSe with a low electron concentration were studied in a wide range of temperatures and magnetic fields. Some fundamental parameters of the spectrum and scattering of electrons were experimentally determined. Two important features of magnetic transport were found—strong transverse magnetoresistance (MR) and negative longitudinal MR, which can indicate the existence of the topological phase of the Weyl semimetal (WSM) in HgSe. Taking this hypothesis into account, we suggest a modified band diagram of mercury selenide at low electron energies. The obtained results are essential for the deeper understanding of both physics of gapless semiconductors and WSMs—promising materials for various applications in electronics, spintronics, computer, and laser technologies.

Radiation chemistry of the liquid state

International Nuclear Information System (INIS)

Buxton, G.V.

1987-01-01

More is known about the radiation chemistry of water than any other liquid. From a practical viewpoint out knowledge is virtually complete, and water radiolysis now provides a very convenient way of generating an enormous variety of unstable species under well-defined conditions. This facility, coupled with the techniques of pulse radiolysis, has opened up new areas in aqueous inorganic, organic, and biochemistry that cannot be readily studied by thermal or photochemical methods. This chapter is aimed, therefore, at those who wish to use radiolytic methods to generate and study unstable species in aqueous solution. The basic features of the radiation chemistry of water are described first to show how the primary radical and molecular products evolve with time and to delineate the bounds of useful experimental conditions. Next, the properties of the primary radicals are summarized, and examples are given to show how the primary radicals can be converted into secondary radicals, often of a single kind. This is an important aspect of the radiation chemistry of aqueous solutions. Lastly, the impact of our knowledge of the radiation chemistry of water on advances in general chemistry is illustrated by examples from the fields of inorganic and organic chemistry

Human development VIII: a theory of "deep" quantum chemistry and cell consciousness: quantum chemistry controls genes and biochemistry to give cells and higher organisms consciousness and complex behavior.

Science.gov (United States)

Ventegodt, Søren; Hermansen, Tyge Dahl; Flensborg-Madsen, Trine; Nielsen, Maj Lyck; Merrick, Joav

2006-11-14

Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it "sees", and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam's razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules' orbitals make one huge "cell-orbital", which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants) and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

Electron localization in a mixed-valence diniobium benzene complex.

Science.gov (United States)

Gianetti, Thomas L; Nocton, Grégory; Minasian, Stefan G; Kaltsoyannis, Nikolas; Kilcoyne, A L David; Kozimor, Stosh A; Shuh, David K; Tyliszczak, Tolek; Bergman, Robert G; Arnold, John

2015-02-01

Reaction of the neutral diniobium benzene complex {[Nb(BDI)N t Bu] 2 (μ-C 6 H 6 )} (BDI = N , N '-diisopropylbenzene-β-diketiminate) with Ag[B(C 6 F 5 ) 4 ] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)N t Bu] 2 (μ-C 6 H 6 )}{B(C 6 F 5 ) 4 }. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L 3,2 -edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that is not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the δ-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.

Experimental investigations of single-electron detachment processes from H- ions colliding with MeV/u, highly charged ions

International Nuclear Information System (INIS)

Tawara, H.; Tonuma, T.; Kumagai, H.; Imai, T.; Uskov, D.B.; Presnyakov, L.P.

1999-01-01

Single electron detachment processes from negative hydrogen ions under collisions with MeV/u highly charged ions have been investigated using the so-called crossed-beams technique. The preliminary results of the single-electron detachment cross sections obtained is found to be in crude agreement with some empirical and theoretical estimations. (orig.)

Different quantization mechanisms in single-electron pumps driven by surface acoustic waves

DEFF Research Database (Denmark)

Utko, P.; Gloos, K.; Hansen, Jørn Bindslev

2006-01-01

We have studied the acoustoelectric current in single-electron pumps driven by surface acoustic waves. We have found that in certain parameter ranges two different sets of quantized steps dominate the acoustoelectric current versus gate-voltage characteristics. In some cases, both types of quanti...

Highly stable single-crystal LaB6 cathode for conventional electron microprobe instruments

International Nuclear Information System (INIS)

Shimizu, R.; Shinike, T.; Ichimura, S.; Kawaii, S.; Tanaka, T.

1978-01-01

The performance of single-crystal LaB 6 cathode was examined by measuring the brightness and current stability under the same conditions as for the conventional W hairpin cathode. The LaB 6 cathode was mounted in Vogel-type electron gun assembly of an electron probe microanalyser JAX-3 specifically modified for this purpose. The result shows that the present LaB 6 cathode provides not only high brightness of 2 x 10 5 A/cm 2 str. at 20 kV, but also high-current stability better than 1 x 10 - 3 Ah - 1 in standard operation without any specific aid for current stabilization. Thus an order of magnitude increase in both the brightness and service lifetime can easily be obtained provided that the vacuum of the system is adequate, namely better than 1 x 10 - 5 Torr (1.33 x 10 - 3 Pa). This substantial improvement of the present single-crystal LaB 6 cathode over the conventional W hairpin was also confirmed in a practical way by use in a commercial-type scanning Auger electron microscope, JAMP III

Non-linear effects and thermoelectric efficiency of quantum dot-based single-electron transistors.

Science.gov (United States)

Talbo, Vincent; Saint-Martin, Jérôme; Retailleau, Sylvie; Dollfus, Philippe

2017-11-01

By means of advanced numerical simulation, the thermoelectric properties of a Si-quantum dot-based single-electron transistor operating in sequential tunneling regime are investigated in terms of figure of merit, efficiency and power. By taking into account the phonon-induced collisional broadening of energy levels in the quantum dot, both heat and electrical currents are computed in a voltage range beyond the linear response. Using our homemade code consisting in a 3D Poisson-Schrödinger solver and the resolution of the Master equation, the Seebeck coefficient at low bias voltage appears to be material independent and nearly independent on the level broadening, which makes this device promising for metrology applications as a nanoscale standard of Seebeck coefficient. Besides, at higher voltage bias, the non-linear characteristics of the heat current are shown to be related to the multi-level effects. Finally, when considering only the electronic contribution to the thermal conductance, the single-electron transistor operating in generator regime is shown to exhibit very good efficiency at maximum power.

Polyquant CT: direct electron and mass density reconstruction from a single polyenergetic source

Science.gov (United States)

Mason, Jonathan H.; Perelli, Alessandro; Nailon, William H.; Davies, Mike E.

2017-11-01

Quantifying material mass and electron density from computed tomography (CT) reconstructions can be highly valuable in certain medical practices, such as radiation therapy planning. However, uniquely parameterising the x-ray attenuation in terms of mass or electron density is an ill-posed problem when a single polyenergetic source is used with a spectrally indiscriminate detector. Existing approaches to single source polyenergetic modelling often impose consistency with a physical model, such as water-bone or photoelectric-Compton decompositions, which will either require detailed prior segmentation or restrictive energy dependencies, and may require further calibration to the quantity of interest. In this work, we introduce a data centric approach to fitting the attenuation with piecewise-linear functions directly to mass or electron density, and present a segmentation-free statistical reconstruction algorithm for exploiting it, with the same order of complexity as other iterative methods. We show how this allows both higher accuracy in attenuation modelling, and demonstrate its superior quantitative imaging, with numerical chest and metal implant data, and validate it with real cone-beam CT measurements.

Single-electron capture in low-energy Ar6+-He collisions

International Nuclear Information System (INIS)

Akguengoer, K.; Kamber, E.Y.; Ferguson, S.M.

1997-01-01

Double differential cross sections for state-selective single-electron capture processes in Ar 6+ -He collisions have been measured at laboratory energies between 75 and 900 eV and scattering angles between 0 and 8 . At the lowest energy, the zero-angle spectrum shows capture into Ar 5+ (4p) to be the most important channel. However, as the scattering angle is increased, a second peak appears at angles ≥2 and becomes more pronounced relative to the 4p capture channel. The energy spectra are interpreted qualitatively in terms of the reaction windows, which are calculated using the single-crossing Landau-Zener model. Total and differential cross sections are also measured and compared with available measurements and calculations. (orig.)

Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

Science.gov (United States)

Barbera, Jack

2007-12-01

This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student

Predictive Modeling in Actinide Chemistry and Catalysis

Energy Technology Data Exchange (ETDEWEB)

Yang, Ping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-16

These are slides from a presentation on predictive modeling in actinide chemistry and catalysis. The following topics are covered in these slides: Structures, bonding, and reactivity (bonding can be quantified by optical probes and theory, and electronic structures and reaction mechanisms of actinide complexes); Magnetic resonance properties (transition metal catalysts with multi-nuclear centers, and NMR/EPR parameters); Moving to more complex systems (surface chemistry of nanomaterials, and interactions of ligands with nanoparticles); Path forward and conclusions.

Electronic properties of prismatic modifications of single-wall carbon nanotubes

Science.gov (United States)

Tomilin, O. B.; Muryumin, E. E.; Rodionova, E. V.; Ryskina, N. P.

2018-01-01

The article shows the possibility of target modifying the prismatic single-walled carbon nanotubes (SWCNTs) by regular chemisorption of fluorine atoms in the graphene surface. It is shown that the electronic properties of prismatic SWCNT modifications are determined by the interaction of π- and ρ(in-plane)-electron conjugation in the carbon-conjugated subsystems (tracks) formed in the faces. The contributions of π- and ρ(in-plane)-electron conjugation depend on the structural characteristics of the tracks. It was found that the minimum of degree deviation of the track from the plane of the prism face and the maximum of the track width ensure the maximum contribution of the π-electron conjugation, and the band gap of the prismatic modifications of the SWCNT tends to the band gap of the hydrocarbon analog of the carbon track. It is established that the maximum of degree deviation of the track from the plane of the prism face and the maximum of track width ensure the maximum contribution of the ρ(in-plane) electron interface, and the band gap of the prismatic modifications of the SWCNT tends to the band gap of the unmodified carbon nanotube. The calculation of the model systems has been carried out using an ab initio Hartree-Fock method in the 3-21G basis.

Quantum computers based on electron spins controlled by ultrafast off-resonant single optical pulses.

Science.gov (United States)

Clark, Susan M; Fu, Kai-Mei C; Ladd, Thaddeus D; Yamamoto, Yoshihisa

2007-07-27

We describe a fast quantum computer based on optically controlled electron spins in charged quantum dots that are coupled to microcavities. This scheme uses broadband optical pulses to rotate electron spins and provide the clock signal to the system. Nonlocal two-qubit gates are performed by phase shifts induced by electron spins on laser pulses propagating along a shared waveguide. Numerical simulations of this scheme demonstrate high-fidelity single-qubit and two-qubit gates with operation times comparable to the inverse Zeeman frequency.

Single electron attachment and stripping cross sections for relativistic heavy ions

International Nuclear Information System (INIS)

Crawford, H.J.

1979-06-01

The results of a Bevalac experiment to measure the single electron attachment and stripping cross sections for relativistic (0.5 1 , and fully stripped, N 0 , ion beams emerging from the targets. Separate counters measured the number of ions in each charge state. The ratios N 1 /N 0 for different target thicknesses were fit to a simple growth curve to yield electron attachment and stripping cross sections. The data are compared to relativistic extrapolations of available theories. Clear evidence for two separate attachment processes, radiative and non-radiative, is found. Data are compared to a recently improved formulation for the stripping cross sections

Single Production of Excited Neutrino at Clic based Electron Photon Colliders

International Nuclear Information System (INIS)

Kirca, Z.

2004-01-01

The discovery of excited quarks and leptons, as predicted by composite models, would supply convincing evidence for substructure of fermions. Electron-photon interactions at very high energies provide ideal conditions to look for excited states of first generations offermions. In particular, in magnetic- transition coupling the electron to a gauge bo son would allow for single production of excited neutrinos (ν * ) through t-channel W boson exchange. In this work, (ν * ) production followed by the electroweak radiative decays ν * →νγ, ν * →eW, ν * →νZ is presented. The production cross sections and P T distributions of excited neutrino are studied for CLlC

Ab initio valence calculations in chemistry

CERN Document Server

Cook, D B

1974-01-01

Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge

Chemistry and structure of technetium complexes

International Nuclear Information System (INIS)

Baldas, J.; Boas, J.F.; Bonnyman, J.; Williams, G.A.

1983-01-01

The structures of tris(2-aminobenzenethiolato) technetium(VI) and dichlorobis(diethyldithiocarbamato) thionitrosyltechnetium(V) have been determined by single crystal x-ray diffraction analysis. The preparation and chemistry of thiocyanato complexes of technetium have been investigated

Coherence of Physics and Chemistry Curricula in Terms of the Electron Concept

International Nuclear Information System (INIS)

Elena, Ivanova

2016-01-01

One of the major contradictions in subject teaching is the contradiction between the unity of the world and the discrete separated generalized content of natural sciences that study natural phenomena. These are physics, chemistry, biology and more. One can eliminate the conflict if opens the content's interdisciplinary links set by the events that are studied by different disciplines. The corresponding contexts of the phenomenon content arise depending on the discipline, and they are not enough coordinated. Obviously, we need a mechanism that allows establishing interdisciplinary links in the content quickly and without losing the logic of the material and assess their coherence in academic disciplines. This article uses a quantitative method of coherence assessment elaborated by T.N. Gnitetskaya. The definition of the concept of the semantic state introduced by the authors is given in this article. The method is applied to coherence assessment of physics and chemistry textbooks. The coherence of two pairs of chemistry and physics textbooks by different authors in different combinations was calculated. The most cohered pairs of textbooks (chemistry-physics) were identified. One can recommend using the pair of textbooks for eighth grade that we offered that favors the development of holistic understandings of the world around us. (paper)

Coherence of Physics and Chemistry Curricula in Terms of the Electron Concept

Science.gov (United States)

Elena, Ivanova

2016-08-01

One of the major contradictions in subject teaching is the contradiction between the unity of the world and the discrete separated generalized content of natural sciences that study natural phenomena. These are physics, chemistry, biology and more. One can eliminate the conflict if opens the content's interdisciplinary links set by the events that are studied by different disciplines. The corresponding contexts of the phenomenon content arise depending on the discipline, and they are not enough coordinated. Obviously, we need a mechanism that allows establishing interdisciplinary links in the content quickly and without losing the logic of the material and assess their coherence in academic disciplines. This article uses a quantitative method of coherence assessment elaborated by T.N. Gnitetskaya. The definition of the concept of the semantic state introduced by the authors is given in this article. The method is applied to coherence assessment of physics and chemistry textbooks. The coherence of two pairs of chemistry and physics textbooks by different authors in different combinations was calculated. The most cohered pairs of textbooks (chemistry-physics) were identified. One can recommend using the pair of textbooks for eighth grade that we offered that favors the development of holistic understandings of the world around us.

Learning Organic Chemistry Through Natural Products

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 5. Learning Organic Chemistry Through Natural Products From Molecular and Electronic Structures to Reactivity. N R Krishnaswamy. Series Article Volume 1 Issue 5 May 1996 pp 12-18 ...

Ionic Liquids: Radiation Chemistry, Solvation Dynamics and Reactivity Patterns

International Nuclear Information System (INIS)

Wishart, J.F.

2011-01-01

Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs generally have low volatilities and are combustion-resistant, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of primary radiation chemistry, charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of reactions and product distributions. We study these issues by characterization of primary radiolysis products and measurements of their yields and reactivity, quantification of electron solvation dynamics and scavenging of electrons in different states of solvation. From this knowledge we wish to learn how to predict radiolytic mechanisms and control them or mitigate their effects on the properties of materials used in nuclear fuel processing, for example, and to apply IL radiation chemistry to answer questions about general chemical reactivity in ionic liquids that will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that the slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increase the importance of pre-solvated electron reactivity and consequently alter product distributions and subsequent chemistry. This difference from conventional solvents has profound effects on predicting and controlling radiolytic yields

Crystal structure redetermination of ε-Ni.sub.3./sub.Si.sub.2./sub. from a single nanowire by dynamical refinement of precession electron diffraction data

Czech Academy of Sciences Publication Activity Database

Correa, Cinthia Antunes; Klementová, Mariana; Dřínek, Vladislav; Kopeček, Jaromír; Palatinus, Lukáš

2016-01-01

Roč. 672, Jul (2016), s. 505-509 ISSN 0925-8388 R&D Projects: GA ČR GA13-25747S Institutional support: RVO:68378271 ; RVO:67985858 Keywords : precession electron diffraction tomography * structure determination * nanowire * dynamical refinement Subject RIV: BM - Solid Matter Physics ; Magnetism; CA - Inorganic Chemistry (UCHP-M) OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.); Inorganic and nuclear chemistry (UCHP-M) Impact factor: 3.133, year: 2016

Single-electron capture in He2+-D2 collisions

International Nuclear Information System (INIS)

Bordenave-Montesquieu, D.; Dagnac, R.

1994-01-01

Doubly differential cross sections of single-electron capture were measured for He 2+ impinging on a molecular deuterium target. The investigated collision energies are 4, 6 and 8 keV and the scattering angles range from 10' to 2 o 30' (laboratory frame). The exothermic capture leading to He + (1s) + D 2 +* was found to be the most important process at low energies and angles, whereas the endothermic channels leading to dissociative capture become the main processes at high scattering angles, i.e. at small impact parameters. (author)

Photon emission by electrons and positrons traversing thin single crystal

International Nuclear Information System (INIS)

Ol'chak, A.S.

1984-01-01

Radiation emission by planar channeled particles (electrons, positrons) in a thin single crystal of thickness L is considered. It is shown that for L approximately πb/THETAsub(L) (b is the lattice constant, THETA sub(L) the Lindhard angle) besides the main spontaneous channeling maxima there exist auxiliary interference maxima, the positions of all the maxima depending on L. The dependence of the radiation spectral intensity on crystal thickness is discussed

Physicists bag Chemistry Nobel for microscopy method

Science.gov (United States)

Johnston, Hamish

2017-11-01

The 2017 Nobel Prize for Chemistry has been given to Jacques Dubochet, Joachim Frank and Richard Henderson “for developing cryo-electron microscopy for the high-resolution structure determination of biomolecules in solution”.

Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program

Science.gov (United States)

Perri, M. J.; Weber, S. H.

2014-01-01

A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

A radio-frequency single-electron transistor based on an InAs/InP heterostructure nanowire

DEFF Research Database (Denmark)

Nilsson, Henrik A.; Duty, Tim; Abay, Simon

2008-01-01

We demonstrate radio frequency single-electron transistors fabricated from epitaxially grown InAs/InP heterostructure nanowires. Two sets of double-barrier wires with different barrier thicknesses were grown. The wires were suspended 15 nm above a metal gate electrode. Electrical measurements...... on a high-resistance nanowire showed regularly spaced Coulomb oscillations at a gate voltage from −0.5 to at least 1.8 V. The charge sensitivity was measured to 32 µerms Hz−1/2 at 1.5 K. A low-resistance single-electron transistor showed regularly spaced oscillations only in a small gate-voltage region just...

Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

International Nuclear Information System (INIS)

Liu, Jian; Li, Xi-Bo; Wang, Da; Liu, Li-Min; Lau, Woon-Ming; Peng, Ping

2014-01-01

The family of bulk metal phosphorus trichalcogenides (APX 3 , A = M II , M 0.5 I M 0.5 III ; X = S, Se; M I , M II , and M III represent Group-I, Group-II, and Group-III metals, respectively) has attracted great attentions because such materials not only own magnetic and ferroelectric properties, but also exhibit excellent properties in hydrogen storage and lithium battery because of the layered structures. Many layered materials have been exfoliated into two-dimensional (2D) materials, and they show distinct electronic properties compared with their bulks. Here we present a systematical study of single-layer metal phosphorus trichalcogenides by density functional theory calculations. The results show that the single layer metal phosphorus trichalcogenides have very low formation energies, which indicates that the exfoliation of single layer APX 3 should not be difficult. The family of single layer metal phosphorus trichalcogenides exhibits a large range of band gaps from 1.77 to 3.94 eV, and the electronic structures are greatly affected by the metal or the chalcogenide atoms. The calculated band edges of metal phosphorus trichalcogenides further reveal that single-layer ZnPSe 3 , CdPSe 3 , Ag 0.5 Sc 0.5 PSe 3 , and Ag 0.5 In 0.5 PX 3 (X = S and Se) have both suitable band gaps for visible-light driving and sufficient over-potentials for water splitting. More fascinatingly, single-layer Ag 0.5 Sc 0.5 PSe 3 is a direct band gap semiconductor, and the calculated optical absorption further convinces that such materials own outstanding properties for light absorption. Such results demonstrate that the single layer metal phosphorus trichalcogenides own high stability, versatile electronic properties, and high optical absorption, thus such materials have great chances to be high efficient photocatalysts for water-splitting

Electrical Initialization of Electron and Nuclear Spins in a Single Quantum Dot at Zero Magnetic Field.

Science.gov (United States)

Cadiz, Fabian; Djeffal, Abdelhak; Lagarde, Delphine; Balocchi, Andrea; Tao, Bingshan; Xu, Bo; Liang, Shiheng; Stoffel, Mathieu; Devaux, Xavier; Jaffres, Henri; George, Jean-Marie; Hehn, Michel; Mangin, Stephane; Carrere, Helene; Marie, Xavier; Amand, Thierry; Han, Xiufeng; Wang, Zhanguo; Urbaszek, Bernhard; Lu, Yuan; Renucci, Pierre

2018-04-11

The emission of circularly polarized light from a single quantum dot relies on the injection of carriers with well-defined spin polarization. Here we demonstrate single dot electroluminescence (EL) with a circular polarization degree up to 35% at zero applied magnetic field. The injection of spin-polarized electrons is achieved by combining ultrathin CoFeB electrodes on top of a spin-LED device with p-type InGaAs quantum dots in the active region. We measure an Overhauser shift of several microelectronvolts at zero magnetic field for the positively charged exciton (trion X + ) EL emission, which changes sign as we reverse the injected electron spin orientation. This is a signature of dynamic polarization of the nuclear spins in the quantum dot induced by the hyperfine interaction with the electrically injected electron spin. This study paves the way for electrical control of nuclear spin polarization in a single quantum dot without any external magnetic field.

Eighteenth annual West Coast theoretical chemistry conference

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-05-01

Abstracts are presented from the eighteenth annual west coast theoretical chemistry conference. Topics include molecular simulations; quasiclassical simulations of reactions; photodissociation reactions; molecular dynamics;interface studies; electronic structure; and semiclassical methods of reactive systems.

Single electron probes of fractional quantum hall states

Science.gov (United States)

Venkatachalam, Vivek

When electrons are confined to a two dimensional layer with a perpendicular applied magnetic field, such that the ratio of electrons to flux quanta (nu) is a small integer or simple rational value, these electrons condense into remarkable new phases of matter that are strikingly different from the metallic electron gas that exists in the absence of a magnetic field. These phases, called integer or fractional quantum Hall (IQH or FQH) states, appear to be conventional insulators in their bulk, but behave as a dissipationless metal along their edge. Furthermore, electrical measurements of such a system are largely insensitive to the detailed geometry of how the system is contacted or even how large the system is... only the order in which contacts are made appears to matter. This insensitivity to local geometry has since appeared in a number of other two and three dimensional systems, earning them the classification of "topological insulators" and prompting an enormous experimental and theoretical effort to understand their properties and perhaps manipulate these properties to create robust quantum information processors. The focus of this thesis will be two experiments designed to elucidate remarkable properties of the metallic edge and insulating bulk of certain FQH systems. To study such systems, we can use mesoscopic devices known as single electron transistors (SETs). These devices operate by watching single electrons hop into and out of a confining box and into a nearby wire (for measurement). If it is initially unfavorable for an electron to leave the box, it can be made favorable by bringing another charge nearby, modifying the energy of the confined electron and pushing it out of the box and into the nearby wire. In this way, the SET can measure nearby charges. Alternatively, we can heat up the nearby wire to make it easier for electrons to enter and leave the box. In this way, the SET is a sensitive thermometer. First, by operating the SET as an

Photoionisation detection of single 87Rb-atoms using channel electron multipliers

International Nuclear Information System (INIS)

Henkel, Florian Alexander

2011-01-01

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 ion =0.991 within an ionisation time of t ion =386 ns is achieved for a single 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 η atom =0.991 within a detection time of t det =415.5 ns. In a future combined setup, this will allow the state-selective readout of optically trapped, single neutral 87 Rb-atoms via photoionisation detection with an estimated detection efficiency η=0.982 and a detection time of t tot = 802 ns. Although initially developed for single 87 Rb-atoms, the concept of photoionisation detection is in principle generally applicable to any atomic or molecular species. As efficient

Modern trends in contemporary chemistry

International Nuclear Information System (INIS)

Javed, H.; Pervez, H.; Qadeer, R.

1993-01-01

This publication contains a collection of papers presented at symposium on M odern Trends in Contemporary Chemistry , that was held in Islamabad, Pakistan, March 6-8, 1990. The symposium was divided into five sections for presentation of about 55 scientific and technical papers and 6 review papers. The contents of these papers were of good quality in the widespread concern in new trends of chemistry. The six reviews papers covered fields of ortho metallation reactions, evaluation of heterogeneous electron transfer rate contents, macro reticular ion-exchange resins, spectrochemical analytical techniques, liquid crystal-high technology materials for practical applications and trends in advanced ceramics. (A.B.)

Cryogenic preamplification of a single-electron-transistor using a silicon-germanium heterojunction-bipolar-transistor

Energy Technology Data Exchange (ETDEWEB)

Curry, M. J. [Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Center for Quantum Information and Control, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sandia National Laboratories, 1515 Eubank Blvd SE, Albuquerque, New Mexico 87123 (United States); England, T. D.; Bishop, N. C.; Ten-Eyck, G.; Wendt, J. R.; Pluym, T.; Lilly, M. P.; Carroll, M. S. [Sandia National Laboratories, 1515 Eubank Blvd SE, Albuquerque, New Mexico 87123 (United States); Carr, S. M. [Center for Quantum Information and Control, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sandia National Laboratories, 1515 Eubank Blvd SE, Albuquerque, New Mexico 87123 (United States)

2015-05-18

We examine a silicon-germanium heterojunction bipolar transistor (HBT) for cryogenic pre-amplification of a single electron transistor (SET). The SET current modulates the base current of the HBT directly. The HBT-SET circuit is immersed in liquid helium, and its frequency response from low frequency to several MHz is measured. The current gain and the noise spectrum with the HBT result in a signal-to-noise-ratio (SNR) that is a factor of 10–100 larger than without the HBT at lower frequencies. The transition frequency defined by SNR = 1 has been extended by as much as a factor of 10 compared to without the HBT amplification. The power dissipated by the HBT cryogenic pre-amplifier is approximately 5 nW to 5 μW for the investigated range of operation. The circuit is also operated in a single electron charge read-out configuration in the time-domain as a proof-of-principle demonstration of the amplification approach for single spin read-out.

Progress report, Chemistry and Materials Division, April 1 to June 30, 1976

International Nuclear Information System (INIS)

1976-07-01

Preliminary results are reported on research covering such topics as ion penetration, electron microscopy, radiation damage and metal physics, nuclear methods of analysis, analytical chemistry, hydrogen-deuterium exchange, radiation chemistry, and corrosion (primarily of zirconium alloys). (E.C.B.)

A search for single electron production in e+e/sup/minus// annihilation at 29 GeV

International Nuclear Information System (INIS)

Steele, T.R.

1988-10-01

A recent search for single electron events performed with the ASP detector at PEP is presented. No anomalous signal is observed and limits on masses of the supersymmetric partners of the electron and photon are obtained. 7 refs., 1 fig

Current Analysis and Modeling of Fullerene Single-Electron Transistor at Room Temperature

Science.gov (United States)

Khadem Hosseini, Vahideh; Ahmadi, Mohammad Taghi; Afrang, Saeid; Ismail, Razali

2017-07-01

Single-electron transistors (SETs) are interesting electronic devices that have become key elements in modern nanoelectronic systems. SETs operate quickly because they use individual electrons, with the number transferred playing a key role in their switching behavior. However, rapid transmission of electrons can cause their accumulation at the island, affecting the I- V characteristic. Selection of fullerene as a nanoscale zero-dimensional material with high stability, and controllable size in the fabrication process, can overcome this charge accumulation issue and improve the reliability of SETs. Herein, the current in a fullerene SET is modeled and compared with experimental data for a silicon SET. Furthermore, a weaker Coulomb staircase and improved reliability are reported. Moreover, the applied gate voltage and fullerene diameter are found to be directly associated with the I- V curve, enabling the desired current to be achieved by controlling the fullerene diameter.

Influence of electron irradiation on hydrothermally grown zinc oxide single crystals

International Nuclear Information System (INIS)

Lu, L W; So, C K; Zhu, C Y; Gu, Q L; Fung, S; Ling, C C; Li, C J; Brauer, G; Anwand, W; Skorupa, W

2008-01-01

The resistivity of hydrothermally grown ZnO single crystals increased from ∼10 3 Ω cm to ∼10 6 Ω cm after 1.8 MeV electron irradiation with a fluence of ∼10 16 cm −2 , and to ∼10 9 Ω cm as the fluence increased to ∼10 18 cm −2 . Defects in samples were studied by thermally stimulated current (TSC) spectroscopy and positron lifetime spectroscopy (PLS). After the electron irradiation with a fluence of 10 18 cm −2 , the normalized TSC signal increased by a factor of ∼100. A Zn vacancy was also introduced by the electron irradiation, though with a concentration lower than expected. After annealing in air at 400 °C, the resistivity and the deep traps concentrations recovered to the levels of the as-grown sample, and the Zn vacancy was removed

Bond selective chemistry beyond the adiabatic approximation

Energy Technology Data Exchange (ETDEWEB)

Butler, L.J. [Univ. of Chicago, IL (United States)

1993-12-01

One of the most important challenges in chemistry is to develop predictive ability for the branching between energetically allowed chemical reaction pathways. Such predictive capability, coupled with a fundamental understanding of the important molecular interactions, is essential to the development and utilization of new fuels and the design of efficient combustion processes. Existing transition state and exact quantum theories successfully predict the branching between available product channels for systems in which each reaction coordinate can be adequately described by different paths along a single adiabatic potential energy surface. In particular, unimolecular dissociation following thermal, infrared multiphoton, or overtone excitation in the ground state yields a branching between energetically allowed product channels which can be successfully predicted by the application of statistical theories, i.e. the weakest bond breaks. (The predictions are particularly good for competing reactions in which when there is no saddle point along the reaction coordinates, as in simple bond fission reactions.) The predicted lack of bond selectivity results from the assumption of rapid internal vibrational energy redistribution and the implicit use of a single adiabatic Born-Oppenheimer potential energy surface for the reaction. However, the adiabatic approximation is not valid for the reaction of a wide variety of energetic materials and organic fuels; coupling between the electronic states of the reacting species play a a key role in determining the selectivity of the chemical reactions induced. The work described below investigated the central role played by coupling between electronic states in polyatomic molecules in determining the selective branching between energetically allowed fragmentation pathways in two key systems.

Total and single differential cross sections for the electron impact ionization of the ground state of helium

International Nuclear Information System (INIS)

Singh, T.S.C.; Choudhury, K.B.; Singh, M.B.; Deb, N.C.; Mukherjee, S.C.; Mazumdar, P.S.

1997-01-01

Total cross sections (TCS) and single differential cross sections (SDCS) have been computed for the single ionization of the ground state of helium by electron impact in a distorted wave formalism which takes into account the effects of the initial and final channel distortions. The present TCS and SDCS results are in fair agreement with the measured values and other theoretical predictions for the incident electron energy E i > 150 eV. (orig.)

Light-harvesting dendrimer zinc-phthalocyanines chromophores labeled single-wall carbon nanotube nanoensembles: Synthesis and photoinduced electron transfer

Energy Technology Data Exchange (ETDEWEB)

Yang, Hongqin [Key Laboratory of Optoelectronic Science and Technology for Medicine, Ministry of Education and Fujian Provincial Key Laboratory for Photonics Technology, Fujian Normal University, Fuzhou 350007 (China); Pan, Sujuan; Ma, Dongdong; He, Dandan; Wang, Yuhua [College of Chemistry & Engineering, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou 350007 (China); Xie, Shusen [Key Laboratory of Optoelectronic Science and Technology for Medicine, Ministry of Education and Fujian Provincial Key Laboratory for Photonics Technology, Fujian Normal University, Fuzhou 350007 (China); Peng, Yiru, E-mail: yirupeng@fjnu.edu.cn [College of Chemistry & Engineering, Fujian Provincial Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou 350007 (China)

2016-11-15

A novel series of light-harvesting dendrimer zinc-phthalocyanines chromophores labeled-single-wall carbon nanotubes (SWNTs) nanoparticles, in which 0–2 generations dendrimer zinc phthalocyanines covalently linked with SWNTs using either ethylenediamine or hexamethylenediamine as the space linkers were prepared. The structures and morphologies of these nanoconjugates were comprehensively characterized by Raman spectroscopy, transmission electron microscopy and thermal gravimetric analysis methods. Their photophysical properties were investigated by fluorescence and time-resolved spectroscopic methods. The photoinduced intramolecular electron transfer occurred from phthalocyanines (donors) to SWNTs (acceptors). Besides, the electron transfer exchange rates and exchange efficacies between the dendritic phthalocyanines and single-wall carbon nanotubes increased as the length of spacer linker decreased, or as the dendritic generation increased. Cyclic voltammetry (CV) method further confirmed thermodynamics possibility of the electron transfer from phthalocyanines to single-wall carbon nanotubes. These new nanoconjugates are fundamentally important due to the synergy effects of both carbon nanotubes and dendrimer phthalocyanines, which may find potential applications in the fields of drug delivery, biological labeling, or others.

Single-particle cryo-electron microscopy of Rift Valley fever virus

OpenAIRE

Sherman, Michael B.; Freiberg, Alexander N.; Holbrook, Michael R.; Watowich, Stanley J.

2009-01-01

Rift Valley fever virus (RVFV; Bunyaviridae; Phlebovirus) is an emerging human veterinary pathogen causing acute hepatitis in ruminants and has the potential to Single-particle cryo-EM reconstruction of RVFV MP-12 hemorrhagic fever in humans. We report a three-dimensional reconstruction of RVFV vaccine strain MP-12 (RVFV MP-12) by cryo-electron microcopy using icosahedral symmetry of individual virions. Although the genomic core of RVFV MP-12 is apparently poorly ordered, the glycoproteins on...

Modelling electric discharge chemistry

International Nuclear Information System (INIS)

McFarlane, J.; Wren, J.C.

1991-07-01

The chemistry occurring in a electric discharge was modelled to predict how it would be influenced by discharge conditions. The discharge was characterized by a calculated Boltzmann electron-energy distribution, from which rate constants for electron-molecule processes in air were determined. These rate constants were used in a chemical kinetics calculation that also included reactions between neutral molecules, ions, free radicals and electronically excited species. The model describes how the discharge chemistry was influenced by humidity, electric field, electron number density, and concentrations of key reagents identified in the study. The use of an electric discharge to destroy airborne contaminant molecules was appraised, the targeted contaminants being CF 2 Cl 2 , HCN, and SO 2 . The modelling results indicate that an electric discharge should be able to remove HCN and CF 2 Cl 2 effectively, especially if the discharge conditions have been optimized. Effective destruction is achieved with a moderate electric field (over 1 x 10 -15 V.cm 2 ), a substantial electron number density (over 1 x 10 12 cm -3 ), and the presence of H 2 0 in the process air. The residence time in the discharge was also shown to be important in contaminant destruction. An attempt was made to explain the results of the electric discharge abatement of SO 2 , a component of a simulated flue-gas mixture. Results from the model indicate that the discharge parameters that increase the concentration of hydroxyl radical also increase the rate of decomposition of SO 2 . An objective of the study was to explain the apparent enhancement of SO 2 destruction by the presence of a small amount of NO 2 . It was thought that a likely explanation would be the stabilization of HOSO 2 , an important intermediate in the oxidation of SO 2 by NO 2 . (49 figs., 14 tabs., 75 refs.)

Marco Antonio Chaer Nascimento a festschrift from theoretical chemistry accounts

CERN Document Server

Ornellas, Fernando R

2014-01-01

In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Linker-dependent Junction Formation Probability in Single-Molecule Junctions

Energy Technology Data Exchange (ETDEWEB)

Yoo, Pil Sun; Kim, Taekyeong [HankukUniversity of Foreign Studies, Yongin (Korea, Republic of)

2015-01-15

We compare the junction formation probabilities of single-molecule junctions with different linker molecules by using a scanning tunneling microscope-based break-junction technique. We found that the junction formation probability varies as SH > SMe > NH2 for the benzene backbone molecule with different types of anchoring groups, through quantitative statistical analysis. These results are attributed to different bonding forces according to the linker groups formed with Au atoms in the electrodes, which is consistent with previous works. Our work allows a better understanding of the contact chemistry in the metal.molecule junction for future molecular electronic devices.

Development of based on 89S51 single-chip microcomputer electronic dosimeter

International Nuclear Information System (INIS)

Wang Junhua; Zhou Jiachao; Sun Jianghan; Du Xiao

2009-01-01

It describes the main design features and basic properties of based on 89S51 single-chip microcomputer electronic dosimeter with wide range and multi purposes. The dosimeter can display dose rate or accumulative dose or the maximum dose rate, record accumulative dose, the maximum dose rate and classes. (authors)

Chemistry with bigger, better atoms

Indian Academy of Sciences (India)

DELL

Anshu Pandey. Solid State and Structural Chemistry Unit. Indian Institute of Science. H. Cd. Hg. U ? Page 2. Quantum Dots: A Coarse-grained view. • Quantum Dot Electronic Structure can be approximated remarkably well as a Spherical. Particle in a Box Problem ... The concept of stoichiometry still holds!!! Rekha M. et. al.

Generation of coherent soft x-rays using a single-pass free-electron laser amplifier

International Nuclear Information System (INIS)

Wang, T.F.; Goldstein, J.C.; Newnam, B.E.; McVey, B.D.

1988-01-01

We consider a single-pass free-electron laser (FEL) amplifier, driven by an rf-linac followed by a damping ring for reduced emittance, for use in generating coherent light in the soft x-ray region. The dependence of the optical gain on electron-beam quality, studied with the three-dimensional FEL simulation code FELEX, is given and related to the expected power of self-amplified spontaneous emission. We discuss issues for the damping ring designed to achieve the required electron beam quality. The idea of a multipass regenerative amplifier is also presented

Human Development VIII: A Theory of “Deep” Quantum Chemistry and Cell Consciousness: Quantum Chemistry Controls Genes and Biochemistry to Give Cells and Higher Organisms Consciousness and Complex Behavior

Directory of Open Access Journals (Sweden)

Søren Ventegodt

2006-01-01

Full Text Available Deep quantum chemistry is a theory of deeply structured quantum fields carrying the biological information of the cell, making it able to remember, intend, represent the inner and outer world for comparison, understand what it “sees”, and make choices on its structure, form, behavior and division. We suggest that deep quantum chemistry gives the cell consciousness and all the qualities and abilities related to consciousness. We use geometric symbolism, which is a pre-mathematical and philosophical approach to problems that cannot yet be handled mathematically. Using Occam’s razor we have started with the simplest model that works; we presume this to be a many-dimensional, spiral fractal. We suggest that all the electrons of the large biological molecules’ orbitals make one huge “cell-orbital”, which is structured according to the spiral fractal nature of quantum fields. Consciousness of single cells, multi cellular structures as e.g. organs, multi-cellular organisms and multi-individual colonies (like ants and human societies can thus be explained by deep quantum chemistry. When biochemical activity is strictly controlled by the quantum-mechanical super-orbital of the cell, this orbital can deliver energetic quanta as biological information, distributed through many fractal levels of the cell to guide form and behavior of an individual single or a multi-cellular organism. The top level of information is the consciousness of the cell or organism, which controls all the biochemical processes. By this speculative work inspired by Penrose and Hameroff we hope to inspire other researchers to formulate more strict and mathematically correct hypothesis on the complex and coherence nature of matter, life and consciousness.

The link between physics and chemistry in track modelling

International Nuclear Information System (INIS)

Green, N.J.B.; Bolton, C.E.; Spencer-Smith, R.D.

1999-01-01

The physical structure of a radiation track provides the initial conditions for the modelling of radiation chemistry. These initial conditions are not perfectly understood, because there are important gaps between what is provided by a typical track structure model and what is required to start the chemical model. This paper addresses the links between the physics and chemistry of tracks, with the intention of identifying those problems that need to be solved in order to obtain an accurate picture of the initial conditions for the purposes of modelling chemistry. These problems include the reasons for the increased yield of ionisation relative to homolytic bond breaking in comparison with the gas phase. A second area of great importance is the physical behaviour of low-energy electrons in condensed matter (including thermolisation and solvation). Many of these processes are not well understood, but they can have profound effects on the transient chemistry in the track. Several phenomena are discussed, including the short distance between adjacent energy loss events, the molecular nature of the underlying medium, dissociative attachment resonances and the ability of low-energy electrons to excite optically forbidden molecular states. Each of these phenomena has the potential to modify the transient chemistry substantially and must therefore be properly characterised before the physical model of the track can be considered to be complete. (orig.)