Molecular dynamics simulation of chemical sputtering of hydrogen atom on layer structured graphite

International Nuclear Information System (INIS)

Ito, A.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

2008-10-01

Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2-bar 0) surface and zigzag (1 0 1-bar 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface, graphene layers were peeled off one by one and yielded molecules had chain structures. On the other hand, C 2 H 2 and H 2 are dominant yielded molecules on the armchair and zigzag surfaces, respectively. In addition, the interaction of a single hydrogen isotope on a single graphene is investigated. Adsorption, reflection and penetration rates are obtained as functions of incident energy and explain hydrogen retention on layered graphite. (author)

Dynamic properties of sensory stimulation evoked responses in mouse cerebellar granule cell layer and molecular layer.

Science.gov (United States)

Bing, Yan-Hua; Zhang, Guang-Jian; Sun, Lei; Chu, Chun-Ping; Qiu, De-Lai

2015-01-12

Sensory information coming from climbing fiber and mossy fiber-granule cell pathways, generates motor-related outputs according to internal rules of integration and computation in the cerebellar cortex. However, the dynamic properties of sensory information processing in mouse cerebellar cortex are less understood. Here, we studied the dynamic properties of sensory stimulation-evoked responses in the cerebellar granule cell layer (GCL) and molecular layer (ML) by electrophysiological recordings method. Our data showed that air-puff stimulation (5-10 ms in duration) of the ipsilateral whisker pad evoked single-peak responses in the GCL and ML; whereas a duration of stimulation ≥30 ms in GCL and ≥60 ms in ML, evoked double-peak responses that corresponded with stimulation-on and -off responses via mossy fiber pathway. The highest frequency of stimulation train for evoking GCL responses was 33 Hz. In contrast, the highest frequency of stimulation train for evoking ML responses was 4 Hz. These results indicate that the cerebellar granule cells transfer the high-fidelity sensory information from mossy fibers, which is cut-off by molecular layer interneurons (MLIs). Our results suggest that the MLIs network acts as a low-pass filter during the processing of high-frequency sensory information. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Water desalination with a single-layer MoS2 nanopore

OpenAIRE

Heiranian, Mohammad; Farimani, Amir Barati; Aluru, Narayana R.

2015-01-01

Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60??2. Water flux is found to ...

Optical properties of single-layer, double-layer, and bulk MoS2

Energy Technology Data Exchange (ETDEWEB)

Molina-Sanchez, Alejandro; Wirtz, Ludger [University of Luxembourg (Luxembourg); Hummer, Kerstin [University of Vienna, Vienna (Austria)

2013-07-01

The rise of graphene has brought attention also to other layered materials that can complement graphene or that can be an alternative in applications as transistors. Single-layer MoS{sub 2} has shown interesting electronic and optical properties such as as high electron mobility at room temperature and an optical bandgap of 1.8 eV. This makes the material suitable for transistors or optoelectronic devices. We present a theoretical study of the optical absorption and photoluminescence spectra of single-layer, double-layer and bulk MoS{sub 2}. The excitonic states have been calculated in the framework of the Bethe-Salpeter equation, taking into account the electron-hole interaction via the screened Coulomb potential. In addition to the step-function like behaviour that is typical for the joint-density of states of 2D materials with parabolic band dispersion, we find a bound excitonic peak that is dominating the luminescence spectra. The peak is split due to spin-orbit coupling for the single-layer and split due to layer-layer interaction for few-layer and bulk MoS{sub 2}. We discuss the changes of the optical bandgap and of the exciton binding energy with the number of layers, comparing our results with the reported experimental data.

Breakwater stability with damaged single layer armour units

OpenAIRE

De Rover, R.; Verhagen, H.J.; Van den Berge, A.; Reedijk, B.

2008-01-01

The effect of single layer interlocking armour unit breakage on the hydraulic armour layer stability and potential damage progression is addressed in this paper. A 2-dimensional scale model of a rubble mound breakwater with an armour layer consisting of Xbloc armour units was tested. The residual armour layer stability with broken units was determined. The armour unit displacement and damage progression was assessed. According to the test series breakage of the single layer armour units has a...

Fabrication of hybrid molecular devices using multi-layer graphene break junctions

Science.gov (United States)

Island, J. O.; Holovchenko, A.; Koole, M.; Alkemade, P. F. A.; Menelaou, M.; Aliaga-Alcalde, N.; Burzurí, E.; van der Zant, H. S. J.

2014-11-01

We report on the fabrication of hybrid molecular devices employing multi-layer graphene (MLG) flakes which are patterned with a constriction using a helium ion microscope or an oxygen plasma etch. The patterning step allows for the localization of a few-nanometer gap, created by electroburning, that can host single molecules or molecular ensembles. By controlling the width of the sculpted constriction, we regulate the critical power at which the electroburning process begins. We estimate the flake temperature given the critical power and find that at low powers it is possible to electroburn MLG with superconducting contacts in close proximity. Finally, we demonstrate the fabrication of hybrid devices with superconducting contacts and anthracene-functionalized copper curcuminoid molecules. This method is extendable to spintronic devices with ferromagnetic contacts and a first step towards molecular integrated circuits.

Molecular models and simulations of layered materials

International Nuclear Information System (INIS)

Kalinichev, Andrey G.; Cygan, Randall Timothy; Heinz, Hendrik; Greathouse, Jeffery A.

2008-01-01

The micro- to nano-sized nature of layered materials, particularly characteristic of naturally occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and crystal structures. The low symmetry, multicomponent compositions, defects, and disorder phenomena of clays and related phases necessitate the use of molecular models and modern simulation methods. Computational chemistry tools based on classical force fields and quantum-chemical methods of electronic structure calculations provide a practical approach to evaluate structure and dynamics of the materials on an atomic scale. Combined with classical energy minimization, molecular dynamics, and Monte Carlo techniques, quantum methods provide accurate models of layered materials such as clay minerals, layered double hydroxides, and clay-polymer nanocomposites

Neurons of the dentate molecular layer in the rabbit hippocampus.

Directory of Open Access Journals (Sweden)

Francisco J Sancho-Bielsa

Full Text Available The molecular layer of the dentate gyrus appears as the main entrance gate for information into the hippocampus, i.e., where the perforant path axons from the entorhinal cortex synapse onto the spines and dendrites of granule cells. A few dispersed neuronal somata appear intermingled in between and probably control the flow of information in this area. In rabbits, the number of neurons in the molecular layer increases in the first week of postnatal life and then stabilizes to appear permanent and heterogeneous over the individuals' life span, including old animals. By means of Golgi impregnations, NADPH histochemistry, immunocytochemical stainings and intracellular labelings (lucifer yellow and biocytin injections, eight neuronal morphological types have been detected in the molecular layer of developing adult and old rabbits. Six of them appear as interneurons displaying smooth dendrites and GABA immunoreactivity: those here called as globoid, vertical, small horizontal, large horizontal, inverted pyramidal and polymorphic. Additionally there are two GABA negative types: the sarmentous and ectopic granular neurons. The distribution of the somata and dendritic trees of these neurons shows preferences for a definite sublayer of the molecular layer: small horizontal, sarmentous and inverted pyramidal neurons are preferably found in the outer third of the molecular layer; vertical, globoid and polymorph neurons locate the intermediate third, while large horizontal and ectopic granular neurons occupy the inner third or the juxtagranular molecular layer. Our results reveal substantial differences in the morphology and electrophysiological behaviour between each neuronal archetype in the dentate molecular layer, allowing us to propose a new classification for this neural population.

Synthesis of single-crystalline Al layers in sapphire

International Nuclear Information System (INIS)

Schlosser, W.; Lindner, J.K.N.; Zeitler, M.; Stritzker, B.

1999-01-01

Single-crystalline, buried aluminium layers were synthesized by 180 keV high-dose Al + ion implantation into sapphire at 500 deg. C. The approximately 70 nm thick Al layers exhibit in XTEM investigations locally abrupt interfaces to the single-crystalline Al 2 O 3 top layer and bulk, while thickness and depth position are subjected to variations. The layers grow by a ripening process of oriented Al precipitates, which at low doses exist at two different orientations. With increasing dose, precipitates with one out of the two orientations are observed to exist preferentially, finally leading to the formation of a single-crystalline layer. Al outdiffusion to the surface and the formation of spherical Al clusters at the surface are found to be competing processes to buried layer formation. The formation of Al layers is described by Rutherford Backscattering Spectroscopy (RBS), Cross-section transmission electron microscopy (XTEM) and Scanning electron microscopy (SEM) studies as a function of dose, temperature and substrate orientation

Layer-specific morphological and molecular differences in neocortical astrocytes and their dependence on neuronal layers.

Science.gov (United States)

Lanjakornsiripan, Darin; Pior, Baek-Jun; Kawaguchi, Daichi; Furutachi, Shohei; Tahara, Tomoaki; Katsuyama, Yu; Suzuki, Yutaka; Fukazawa, Yugo; Gotoh, Yukiko

2018-04-24

Non-pial neocortical astrocytes have historically been thought to comprise largely a nondiverse population of protoplasmic astrocytes. Here we show that astrocytes of the mouse somatosensory cortex manifest layer-specific morphological and molecular differences. Two- and three-dimensional observations revealed that astrocytes in the different layers possess distinct morphologies as reflected by differences in cell orientation, territorial volume, and arborization. The extent of ensheathment of synaptic clefts by astrocytes in layer II/III was greater than that by those in layer VI. Moreover, differences in gene expression were observed between upper-layer and deep-layer astrocytes. Importantly, layer-specific differences in astrocyte properties were abrogated in reeler and Dab1 conditional knockout mice, in which neuronal layers are disturbed, suggesting that neuronal layers are a prerequisite for the observed morphological and molecular differences of neocortical astrocytes. This study thus demonstrates the existence of layer-specific interactions between neurons and astrocytes, which may underlie their layer-specific functions.

Raman study of supported molybdenum disulfide single layers

Science.gov (United States)

Durrer, William; Manciu, Felicia; Afanasiev, Pavel; Berhault, Gilles; Chianelli, Russell

2008-10-01

Owing to the increasing demand for clean transportation fuels, highly dispersed single layer transition metal sulfides such as MoS2-based catalysts play an important role in catalytic processes for upgrading and removing sulfur from heavy petroleum feed. In its crystalline bulk form, MoS2 is chemically rather inactive due to a strong tendency to form highly stacked layers, but, when dispersed as single-layer nanoclusters on a support, the MoS2 becomes catalytically active in the hydrogenolysis of sulphur and nitrogen from organic compounds (hydrotreating catalysis). In the present studies alumina-supported MoS2 samples were analyzed by confocal Raman spectroscopy. Evidence of peaks at 152 cm-1, 234 cm-1, and 336 cm-1, normally not seen in the Raman spectrum of the standard bulk crystal, confirms the formation of single layers of MoS2. Furthermore, the presence of the 383 cm-1 Raman line suggests the trigonal prismatic coordination of the formed MoS2 single layers. Depending on the sample preparation method, a restacking of MoS2 layers is also observed, mainly for ex-thiomolybdate samples sulfided at 550 C.

Single layers and multilayers of GaN and AlN in square-octagon structure: Stability, electronic properties, and functionalization

Science.gov (United States)

Gürbüz, E.; Cahangirov, S.; Durgun, E.; Ciraci, S.

2017-11-01

Further to planar single-layer hexagonal structures, GaN and AlN can also form free-standing, single-layer structures constructed from squares and octagons. We performed an extensive analysis of dynamical and thermal stability of these structures in terms of ab initio finite-temperature molecular dynamics and phonon calculations together with the analysis of Raman and infrared active modes. These single-layer square-octagon structures of GaN and AlN display directional mechanical properties and have wide, indirect fundamental band gaps, which are smaller than their hexagonal counterparts. These density functional theory band gaps, however, increase and become wider upon correction. Under uniaxial and biaxial tensile strain, the fundamental band gaps decrease and can be closed. The electronic and magnetic properties of these single-layer structures can be modified by adsorption of various adatoms, or by creating neutral cation-anion vacancies. The single-layer structures attain magnetic moment by selected adatoms and neutral vacancies. In particular, localized gap states are strongly dependent on the type of vacancy. The energetics, binding, and resulting electronic structure of bilayer, trilayer, and three-dimensional (3D) layered structures constructed by stacking the single layers are affected by vertical chemical bonds between adjacent layers. In addition to van der Waals interaction, these weak vertical bonds induce buckling in planar geometry and enhance their binding, leading to the formation of stable 3D layered structures. In this respect, these multilayers are intermediate between van der Waals solids and wurtzite crystals, offering a wide range of tunability.

Experimental research on the stability of armour and secondary layer in a single layered Tetrapod breakwater

NARCIS (Netherlands)

De Jong, W.; Verhagen, H.J.; Olthof, J.

2004-01-01

Physical model tests were done on an armour of Tetrapods, placed in a single layer. The objective of the investigations was to study the stability of the secondary layer, and to see if the material of this secondary layer could be washed out through the single layer of Tetrapods. It was concluded

Anomalous photoluminescence thermal quenching of sandwiched single layer MoS_2

KAUST Repository

Tangi, Malleswararao

2017-09-22

We report an unusual thermal quenching of the micro-photoluminescence (µ-PL) intensity for a sandwiched single-layer (SL) MoS2. For this study, MoS2 layers were chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N lattice matched templates. Later, to accomplish air-stable sandwiched SL-MoS2, a thin In0.15Al0.85N cap layer was deposited on the MoS2/In0.15Al0.85N heterostructure. We confirm that the sandwiched MoS2 is a single layer from optical and structural analyses using µ-Raman spectroscopy and scanning transmission electron microscopy, respectively. By using high-resolution X-ray photoelectron spectroscopy, no structural phase transition of MoS2 is noticed. The recombination processes of bound and free excitons were analyzed by the power-dependent µ-PL studies at 77 K and room temperature (RT). The temperature-dependent micro photoluminescence (TDPL) measurements were carried out in the temperature range of 77 – 400 K. As temperature increases, a significant red-shift is observed for the free-exciton PL peak, revealing the delocalization of carriers. Further, we observe unconventional negative thermal quenching behavior, the enhancement of the µ-PL intensity with increasing temperatures up to 300K, which is explained by carrier hopping transitions that take place between shallow localized states to the band-edges. Thus, this study renders a fundamental insight into understanding the anomalous thermal quenching of µ-PL intensity of sandwiched SL-MoS2.

Anomalous photoluminescence thermal quenching of sandwiched single layer MoS_2

KAUST Repository

Tangi, Malleswararao; Shakfa, Mohammad Khaled; Mishra, Pawan; Li, Ming-Yang; Chiu, Ming-Hui; Ng, Tien Khee; Li, Lain-Jong; Ooi, Boon S.

2017-01-01

We report an unusual thermal quenching of the micro-photoluminescence (µ-PL) intensity for a sandwiched single-layer (SL) MoS2. For this study, MoS2 layers were chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N lattice matched templates. Later, to accomplish air-stable sandwiched SL-MoS2, a thin In0.15Al0.85N cap layer was deposited on the MoS2/In0.15Al0.85N heterostructure. We confirm that the sandwiched MoS2 is a single layer from optical and structural analyses using µ-Raman spectroscopy and scanning transmission electron microscopy, respectively. By using high-resolution X-ray photoelectron spectroscopy, no structural phase transition of MoS2 is noticed. The recombination processes of bound and free excitons were analyzed by the power-dependent µ-PL studies at 77 K and room temperature (RT). The temperature-dependent micro photoluminescence (TDPL) measurements were carried out in the temperature range of 77 – 400 K. As temperature increases, a significant red-shift is observed for the free-exciton PL peak, revealing the delocalization of carriers. Further, we observe unconventional negative thermal quenching behavior, the enhancement of the µ-PL intensity with increasing temperatures up to 300K, which is explained by carrier hopping transitions that take place between shallow localized states to the band-edges. Thus, this study renders a fundamental insight into understanding the anomalous thermal quenching of µ-PL intensity of sandwiched SL-MoS2.

Mode I fracture toughness analysis of a single-layer grapheme sheet

Energy Technology Data Exchange (ETDEWEB)

Ky, Minh Nguyen; Yum, Young Jin [University of Ulsan, Ulsan (Korea, Republic of)

2014-09-15

To predict the fracture toughness of a single-layer graphene sheet (SLGS), analytical formulations were devised for the hexagonal honeycomb lattice using a linkage equivalent discrete frame structure. Broken bonds were identified by a sharp increase in the position of the atoms. As crack propagation progressed, the crack tip position and crack path were updated from broken bonds in the molecular dynamics (MD) model. At each step in the simulation, the atomic model was centered on the crack tip to adaptively follow its path. A new formula was derived analytically from the deformation and bending mechanism of solid-state carbon-carbon bonds so as to describe the mode I fracture of SLGS. The fracture toughness of single-layer graphene is governed by a competition between bond breaking and bond rotation at a crack tip. K-field based displacements were applied on the boundary of the micromechanical model, and FEM results were obtained and compared with theoretical findings. The critical stress intensity factor for a graphene sheet was found to be K{sub IC} = 2.63 ∼ 3.2 MPa√m for the case of a zigzag crack.

Constructing oxide interfaces and heterostructures by atomic layer-by-layer laser molecular beam epitaxy

OpenAIRE

Lei, Qingyu; Golalikhani, Maryam; Davidson, Bruce A.; Liu, Guozhen; Schlom, D. G.; Qiao, Qiao; Zhu, Yimei; Chandrasena, Ravini U.; Yang, Weibing; Gray, Alexander X.; Arenholz, Elke; Farrar, Andrew K.; Tenne, Dmitri A.; Hu, Minhui; Guo, Jiandong

2016-01-01

Advancements in nanoscale engineering of oxide interfaces and heterostructures have led to discoveries of emergent phenomena and new artificial materials. Combining the strengths of reactive molecular-beam epitaxy and pulsed-laser deposition, we show here, with examples of Sr1+xTi1-xO3+delta, Ruddlesden-Popper phase Lan+1NinO3n+1 (n = 4), and LaAl1+yO3(1+0.5y)/SrTiO3 interfaces, that atomic layer-by-layer laser molecular-beam epitaxy (ALL-Laser MBE) significantly advances the state of the art...

Breakwater stability with damaged single layer armour units

NARCIS (Netherlands)

De Rover, R.; Verhagen, H.J.; Van den Berge, A.; Reedijk, B.

2008-01-01

The effect of single layer interlocking armour unit breakage on the hydraulic armour layer stability and potential damage progression is addressed in this paper. A 2-dimensional scale model of a rubble mound breakwater with an armour layer consisting of Xbloc armour units was tested. The residual

Plasmon resonance in single- and double-layer CVD graphene nanoribbons

DEFF Research Database (Denmark)

Wang, Di; Emani, Naresh K.; Chung, Ting Fung

2015-01-01

Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015.......Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015....

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao

2017-02-21

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

Band Alignment at GaN/Single-Layer WSe2 Interface

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Tseng, Chien-Chih; Ng, Tien Khee; Hedhili, Mohamed N.; Anjum, Dalaver H.; Alias, Mohd Sharizal; Wei, Nini; Li, Lain-Jong; Ooi, Boon S.

2017-01-01

We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

White-light-emitting diode based on a single-layer polymer

Science.gov (United States)

Wang, B. Z.; Zhang, X. P.; Liu, H. M.

2013-05-01

A broad-band light-emitting diode was achieved in a single-layer device based on pure poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4-phenylenediamine) (PFB). Electromer emission was observed in the red with a center wavelength of about 620 nm in electroluminescence (EL) spectrum. This kind of emission exhibits strong dependence on the thickness of the PFB layer, so that the shape of the EL spectrum may be adjusted through changing the thickness of the active polymer layer to balance between the intrinsic PFB emission in the blue and the electromer emission in the red. Thus, white light emission may be achieved from such a single-layer single-material diode.

Bandgap tunability at single-layer molybdenum disulphide grain boundaries

KAUST Repository

Huang, Yu Li

2015-02-17

Two-dimensional transition metal dichalcogenides have emerged as a new class of semiconductor materials with novel electronic and optical properties of interest to future nanoelectronics technology. Single-layer molybdenum disulphide, which represents a prototype two-dimensional transition metal dichalcogenide, has an electronic bandgap that increases with decreasing layer thickness. Using high-resolution scanning tunnelling microscopy and spectroscopy, we measure the apparent quasiparticle energy gap to be 2.40±0.05 eV for single-layer, 2.10±0.05 eV for bilayer and 1.75±0.05 eV for trilayer molybdenum disulphide, which were directly grown on a graphite substrate by chemical vapour deposition method. More interestingly, we report an unexpected bandgap tunability (as large as 0.85±0.05 eV) with distance from the grain boundary in single-layer molybdenum disulphide, which also depends on the grain misorientation angle. This work opens up new possibilities for flexible electronic and optoelectronic devices with tunable bandgaps that utilize both the control of two-dimensional layer thickness and the grain boundary engineering.

Efficient organic photovoltaic cells on a single layer graphene transparent conductive electrode using MoOx as an interfacial layer.

Science.gov (United States)

Du, J H; Jin, H; Zhang, Z K; Zhang, D D; Jia, S; Ma, L P; Ren, W C; Cheng, H M; Burn, P L

2017-01-07

The large surface roughness, low work function and high cost of transparent electrodes using multilayer graphene films can limit their application in organic photovoltaic (OPV) cells. Here, we develop single layer graphene (SLG) films as transparent anodes for OPV cells that contain light-absorbing layers comprised of the evaporable molecular organic semiconductor materials, zinc phthalocyanine (ZnPc)/fullerene (C60), as well as a molybdenum oxide (MoO x ) interfacial layer. In addition to an increase in the optical transmittance, the SLG anodes had a significant decrease in surface roughness compared to two and four layer graphene (TLG and FLG) anodes fabricated by multiple transfer and stacking of SLGs. Importantly, the introduction of a MoO x interfacial layer not only reduced the energy barrier between the graphene anode and the active layer, but also decreased the resistance of the SLG by nearly ten times. The OPV cells with the structure of polyethylene terephthalate/SLG/MoO x /CuI/ZnPc/C60/bathocuproine/Al were flexible, and had a power conversion efficiency of up to 0.84%, which was only 17.6% lower than the devices with an equivalent structure but prepared on commercial indium tin oxide anodes. Furthermore, the devices with the SLG anode were 50% and 86.7% higher in efficiency than the cells with the TLG and FLG anodes. These results show the potential of SLG electrodes for flexible and wearable OPV cells as well as other organic optoelectronic devices.

Optical and Electrical Characteristics of Graphene Double Layer Formed by a Double Transfer of Graphene Single Layers.

Science.gov (United States)

Kim, Young Jun; Bae, Gi Yoon; Chun, Sungwoo; Park, Wanjun

2016-03-01

We demonstrate formation of double layer graphene by means of a double transfer using two single graphene layers grown by a chemical vapor deposition method. It is observed that shiftiness and broadness in the double-resonance of Raman scattering are much weaker than those of bilayer graphene formed naturally. Transport characteristics examined from transmission line measurements and field effect transistors show the similar behavior with those of single layer graphene. It indicates that interlayer separation, in electrical view, is large enough to avoid correlation between layers for the double layer structure. It is also observed from a transistor with the double layer graphene that molecules adsorpted on two inner graphene surfaces in the double layered structure are isolated and conserved from ambient environment.

[Single-layer colonic anastomoses using polyglyconate (Maxon) vs. two-layer anastomoses using chromic catgut and silk. Experimental study].

Science.gov (United States)

García-Osogobio, Sandra Minerva; Takahashi-Monroy, Takeshi; Velasco, Liliana; Gaxiola, Miguel; Sotres-Vega, Avelina; Santillán-Doherty, Patricio

2006-01-01

The safety of an intestinal anastomosis is usually measured by its complication rate, especially the incidence of anastomotic leakage. A wide variety of methods have been described to reestablish intestinal continuity including single-layer continuous or two-layer interrupted anastomosis. To evaluate if the single-layer continuous anastomosis using polygluconate is safer and reliable than two-layer interrupted anastomosis with chromic catgut and silk. A prospective, experimental, randomized and comparative analysis was conducted in 20 dogs. They were divided in two groups; group 1 underwent two-layer interrupted anastomosis and group 2 underwent sigle-layer continuous technique. Anastomoses were timed. Both groups were under observation. Anastomotic leakage, and other complications were evaluated. The animals were sacrified and the anastomosis was taken out together with 10 cm of colon on both sides of the anastomosis. Breaking strength, histologic evaluation and hydroxyproline determination were performed. Ten two-layer anastomosis and ten single-layer anastomosis were performed. A median of 25 minutes (range: 20-30 minutes) was required to construct the anastomoses in group 1 versus 20 minutes (range: 12-25 minutes) in group 2. All animals survived and no leakage was observed. Wound infection ocurred in four dogs (20%). Median breaking strength was 230 mm Hg in group 1 and 210 mm Hg in group 2. Hydroxyproline concentration was 8.94 mg/g in group 1 (range: 5.33-16.71) and 9.94 mg/g in group 2 (range: 2.96-21.87). There was no difference among groups about the inflammatory response evaluated by pathology. There was no statistical significance in any variable evaluated. CONCLUIONS: This study demonstrates that a single-layer continuous is similar in terms of safety to the two-layer technique, but because of its facility to perform, the single-layer technique could be superior.

The Effect of Single Pyramidal Neuron Firing Within Layer 2/3 and Layer 4 in Mouse V1.

Science.gov (United States)

Meyer, Jochen F; Golshani, Peyman; Smirnakis, Stelios M

2018-01-01

The influence of cortical cell spiking activity on nearby cells has been studied extensively in vitro . Less is known, however, about the impact of single cell firing on local cortical networks in vivo . In a pioneering study, Kwan and Dan (Kwan and Dan, 2012) reported that in mouse layer 2/3 (L2/3), under anesthesia , stimulating a single pyramidal cell recruits ~2.1% of neighboring units. Here we employ two-photon calcium imaging in layer 2/3 of mouse V1, in conjunction with single-cell patch clamp stimulation in layer 2/3 or layer 4, to probe, in both the awake and lightly anesthetized states , how (i) activating single L2/3 pyramidal neurons recruits neighboring units within L2/3 and from layer 4 (L4) to L2/3, and whether (ii) activating single pyramidal neurons changes population activity in local circuit. To do this, it was essential to develop an algorithm capable of quantifying how sensitive the calcium signal is at detecting effectively recruited units ("followers"). This algorithm allowed us to estimate the chance of detecting a follower as a function of the probability that an epoch of stimulation elicits one extra action potential (AP) in the follower cell. Using this approach, we found only a small fraction (layer-2/3 or layer-4 pyramidal neurons produces few (<1% of local units) reliable single-cell followers in L2/3 of mouse area V1, either under light anesthesia or in quiet wakefulness: instead, single cell stimulation was found to elevate aggregate population activity in a weak but highly distributed fashion.

Inorganic-Organic Coating via Molecular Layer Deposition Enables Long Life Sodium Metal Anode.

Science.gov (United States)

Zhao, Yang; Goncharova, Lyudmila V; Zhang, Qian; Kaghazchi, Payam; Sun, Qian; Lushington, Andrew; Wang, Biqiong; Li, Ruying; Sun, Xueliang

2017-09-13

Metallic Na anode is considered as a promising alternative candidate for Na ion batteries (NIBs) and Na metal batteries (NMBs) due to its high specific capacity, and low potential. However, the unstable solid electrolyte interphase layer caused by serious corrosion and reaction in electrolyte will lead to big challenges, including dendrite growth, low Coulombic efficiency and even safety issues. In this paper, we first demonstrate the inorganic-organic coating via advanced molecular layer deposition (alucone) as a protective layer for metallic Na anode. By protecting Na anode with controllable alucone layer, the dendrites and mossy Na formation have been effectively suppressed and the lifetime has been significantly improved. Moreover, the molecular layer deposition alucone coating shows better performances than the atomic layer deposition Al 2 O 3 coating. The novel design of molecular layer deposition protected Na metal anode may bring in new opportunities to the realization of the next-generation high energy-density NIBs and NMBs.

Organic photovoltaic devices with a single layer geometry (Conference Presentation)

Science.gov (United States)

Kolesov, Vladimir A.; Fuentes-Hernandez, Canek; Aizawa, Naoya; Larrain, Felipe A.; Chou, Wen-Fang; Perrotta, Alberto; Graham, Samuel; Kippelen, Bernard

2016-09-01

Organic photovoltaics (OPV) can lead to a low cost and short energy payback time alternative to existing photovoltaic technologies. However, to fulfill this promise, power conversion efficiencies must be improved and simultaneously the architecture of the devices and their processing steps need to be further simplified. In the most efficient devices to date, the functions of photocurrent generation, and hole/electron collection are achieved in different layers adding complexity to the device fabrication. In this talk, we present a novel approach that yields devices in which all these functions are combined in a single layer. Specifically, we report on bulk heterojunction devices in which amine-containing polymers are first mixed in the solution together with the donor and acceptor materials that form the active layer. A single-layer coating yields a self-forming bottom electron-collection layer comprised of the amine-containing polymer (e.g. PEIE). Hole-collection is achieved by subsequent immersion of this single layer in a solution of a polyoxometalate (e.g. phosphomolybdic acid (PMA)) leading to an electrically p-doped region formed by the diffusion of the dopant molecules into the bulk. The depth of this doped region can be controlled with values up to tens of nm by varying the immersion time. Devices with a single 500 nm-thick active layer of P3HT:ICBA processed using this method yield power conversion efficiency (PCE) values of 4.8 ± 0.3% at 1 sun and demonstrate a performance level superior to that of benchmark three-layer devices with separate layers of PEIE/P3HT:ICBA/MoOx (4.1 ± 0.4%). Devices remain stable after shelf lifetime experiments carried-out at 60 °C over 280 h.

Hybrid Materials Based on Magnetic Layered Double Hydroxides: A Molecular Perspective.

Science.gov (United States)

Abellán, Gonzalo; Martí-Gastaldo, Carlos; Ribera, Antonio; Coronado, Eugenio

2015-06-16

Design of functional hybrids lies at the very core of synthetic chemistry as it has enabled the development of an unlimited number of solids displaying unprecedented or even improved properties built upon the association at the molecular level of quite disparate components by chemical design. Multifunctional hybrids are a particularly appealing case among hybrid organic/inorganic materials. Here, chemical knowledge is used to deploy molecular components bearing different functionalities within a single solid so that these properties can coexist or event interact leading to unprecedented phenomena. From a molecular perspective, this can be done either by controlled assembly of organic/inorganic molecular tectons into an extended architecture of hybrid nature or by intercalation of organic moieties within the empty channels or interlamellar space offered by inorganic solids with three-dimensional (MOFs, zeolites, and mesoporous hosts) or layered structures (phosphates, silicates, metal dichalcogenides, or anionic clays). This Account specifically illustrates the use of layered double hydroxides (LDHs) in the preparation of magnetic hybrids, in line with the development of soft inorganic chemistry processes (also called "Chimie Douce"), which has significantly contributed to boost the preparation hybrid materials based on solid-state hosts and subsequent development of applications. Several features sustain the importance of LDHs in this context. Their magnetism can be manipulated at a molecular level by adequate choice of constituting metals and interlayer separation for tuning the nature and extent of magnetic interactions across and between planes. They display unparalleled versatility in accommodating a broad range of anionic species in their interlamellar space that encompasses not only simple anions but chemical systems of increasing dimensionality and functionalities. Their swelling characteristics allow for their exfoliation in organic solvents with high

Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

Science.gov (United States)

Specht, Judith F.; Verdenhalven, Eike; Bieniek, Björn; Rinke, Patrick; Knorr, Andreas; Richter, Marten

2018-04-01

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.

Tunable phase transition in single-layer TiSe2 via electric field

Science.gov (United States)

Liu, Lei; Zhuang, Houlong L.

2018-06-01

Phase transition represents an intriguing physical phenomenon that exists in a number of single-layer transition-metal dichalcogenides. This phenomenon often occurs below a critical temperature and breaks the long-range crystalline order leading to a reconstructed superstructure called the charge-density wave (CDW) structure, which can therefore be recovered by external stimuli such as temperature. Alternatively, we show here that another external stimulation, electric field can also result in the phase transition between the regular and CDW structures of a single-layer transition-metal dichalcogenide. We used single-layer TiSe2 as an example to elucidate the mechanism of the CDW followed by calculations of the electronic structure using a hybrid density functional. We found that applying electric field can tune the phase transition between the 1T and CDW phases of single-layer TiSe2. Our work opens up a route of tuning the phase transition of single-layer materials via electric field.

Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

KAUST Repository

Mansour, Ahmed; Said, Marcel M.; Dey, Sukumar; Hu, Hanlin; Zhang, Siyuan; Munir, Rahim; Zhang, Yadong; Moudgil, Karttikay; Barlow, Stephen; Marder, Seth R.; Amassian, Aram

2017-01-01

Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

KAUST Repository

Mansour, Ahmed

2017-01-03

Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

Heat-resistant organic molecular layer as a joint interface for metal reduction on plastics surfaces

International Nuclear Information System (INIS)

Sang, Jing; Aisawa, Sumio; Hirahara, Hidetoshi; Kudo, Takahiro; Mori, Kunio

2016-01-01

Graphical abstract: - Highlights: • In situ adsorption behaviors of TES on PA6 surface were clarified by QCM. • Highest adsorption of TES on PA6 was obtained in pH 3 and 0.1 M solution. • Molecular layers of TES with uniform structures were prepared on PA6 surface. • TES layer improved PA6 local heat resistance from 150 °C to 230 °C. • TES molecular layer successfully reduced Ag ion to Ag"0. - Abstract: Heat-resistant organic molecular layers have been fabricated by triazine-based silane coupling agent for metal reduction on plastic surfaces using adsorption method. These molecular layers were used as an interfacial layer between polyamide (PA6) and metal solution to reduce Ag"+ ion to Ag"0. The interfacial behaviors of triazine molecular layer at the interfaces between PA6 and Ag solution were investigated using quartz crystal microbalance (QCM). The kinetics of molecular adsorption on PA6 was investigated by using triazine-based silane coupling agent solutions at different pH and concentration. X-ray photoelectron spectroscopy (XPS), atomic force microscope (AFM), and local nano thermal analysis were employed to characterize the surfaces and interfaces. The nano thermal analysis results show that molecular layers of triazine-based silane coupling agent greatly improved heat resistance of PA6 resin from 170 °C up to 230 °C. This research developed an in-depth insight for molecular behaviors of triazine-based silane coupling agent at the PA6 and Ag solution interfaces and should be of significant value for interfacial research between plastics and metal solution in plating industry.

Heat-resistant organic molecular layer as a joint interface for metal reduction on plastics surfaces

Energy Technology Data Exchange (ETDEWEB)

Sang, Jing [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Aisawa, Sumio, E-mail: aisawa@iwate-u.ac.jp [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Hirahara, Hidetoshi [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Kudo, Takahiro [Sulfur Chemical Institute, 210, Collabo MIU, 4-3-5, Ueda, Morioka 020-0066 (Japan); Mori, Kunio [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Sulfur Chemical Institute, 210, Collabo MIU, 4-3-5, Ueda, Morioka 020-0066 (Japan)

2016-04-15

Graphical abstract: - Highlights: • In situ adsorption behaviors of TES on PA6 surface were clarified by QCM. • Highest adsorption of TES on PA6 was obtained in pH 3 and 0.1 M solution. • Molecular layers of TES with uniform structures were prepared on PA6 surface. • TES layer improved PA6 local heat resistance from 150 °C to 230 °C. • TES molecular layer successfully reduced Ag ion to Ag{sup 0}. - Abstract: Heat-resistant organic molecular layers have been fabricated by triazine-based silane coupling agent for metal reduction on plastic surfaces using adsorption method. These molecular layers were used as an interfacial layer between polyamide (PA6) and metal solution to reduce Ag{sup +} ion to Ag{sup 0}. The interfacial behaviors of triazine molecular layer at the interfaces between PA6 and Ag solution were investigated using quartz crystal microbalance (QCM). The kinetics of molecular adsorption on PA6 was investigated by using triazine-based silane coupling agent solutions at different pH and concentration. X-ray photoelectron spectroscopy (XPS), atomic force microscope (AFM), and local nano thermal analysis were employed to characterize the surfaces and interfaces. The nano thermal analysis results show that molecular layers of triazine-based silane coupling agent greatly improved heat resistance of PA6 resin from 170 °C up to 230 °C. This research developed an in-depth insight for molecular behaviors of triazine-based silane coupling agent at the PA6 and Ag solution interfaces and should be of significant value for interfacial research between plastics and metal solution in plating industry.

Raman spectroscopy of boron-doped single-layer graphene.

Science.gov (United States)

Kim, Yoong Ahm; Fujisawa, Kazunori; Muramatsu, Hiroyuki; Hayashi, Takuya; Endo, Morinobu; Fujimori, Toshihiko; Kaneko, Katsumi; Terrones, Mauricio; Behrends, Jan; Eckmann, Axel; Casiraghi, Cinzia; Novoselov, Kostya S; Saito, Riichiro; Dresselhaus, Mildred S

2012-07-24

The introduction of foreign atoms, such as nitrogen, into the hexagonal network of an sp(2)-hybridized carbon atom monolayer has been demonstrated and constitutes an effective tool for tailoring the intrinsic properties of graphene. Here, we report that boron atoms can be efficiently substituted for carbon in graphene. Single-layer graphene substitutionally doped with boron was prepared by the mechanical exfoliation of boron-doped graphite. X-ray photoelectron spectroscopy demonstrated that the amount of substitutional boron in graphite was ~0.22 atom %. Raman spectroscopy demonstrated that the boron atoms were spaced 4.76 nm apart in single-layer graphene. The 7-fold higher intensity of the D-band when compared to the G-band was explained by the elastically scattered photoexcited electrons by boron atoms before emitting a phonon. The frequency of the G-band in single-layer substitutionally boron-doped graphene was unchanged, which could be explained by the p-type boron doping (stiffening) counteracting the tensile strain effect of the larger carbon-boron bond length (softening). Boron-doped graphene appears to be a useful tool for engineering the physical and chemical properties of graphene.

Single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides as promising photocatalysts.

Science.gov (United States)

Bai, Yujie; Luo, Gaixia; Meng, Lijuan; Zhang, Qinfang; Xu, Ning; Zhang, Haiyang; Wu, Xiuqiang; Kong, Fanjie; Wang, Baolin

2018-05-30

Searching for two-dimensional semiconductor materials that are suitable for visible-light photocatalytic water splitting provides a sustainable solution to deal with the future energy crisis and environmental problems. Herein, based on first-principles calculations, single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides are proposed as efficient photocatalysts for water splitting. Stability analyses show that the single-layer ZnMN2 zinc nitrides exhibit energetic and dynamical stability. The electronic properties reveal that all of the single-layer ZnMN2 zinc nitrides are semiconductors. Interestingly, single-layer ZnSnN2 is a direct band gap semiconductor with a desirable band gap (1.74 eV), and the optical adsorption spectrum confirms its optical absorption in the visible light region. The hydrogen evolution reaction (HER) calculations show that the catalytic activity for single-layer ZnMN2 (M = Ge, Sn) is better than that of single-layer ZnSiN2. Furthermore, the band gaps and band edge positions for the single-layer ZnMN2 zinc nitrides can be effectively tuned by biaxial strain. Especially, single-layer ZnGeN2 can be effectively tuned to match better with the redox potentials of water and enhance the light absorption in the visible light region at a tensile strain of 5%, which is confirmed by the corresponding optical absorption spectrum. Our results provide guidance for experimental synthesis efforts and future searches for single-layer materials suitable for photocatalytic water splitting.

Synthesis of PbI(2) single-layered inorganic nanotubes encapsulated within carbon nanotubes.

Science.gov (United States)

Cabana, Laura; Ballesteros, Belén; Batista, Eudar; Magén, César; Arenal, Raúl; Oró-Solé, Judith; Rurali, Riccardo; Tobias, Gerard

2014-04-02

The template assisted growth of single-layered inorganic nanotubes is reported. Single-crystalline lead iodide single-layered nanotubes have been prepared using the inner cavities of carbon nanotubes as hosting templates. The diameter of the resulting inorganic nanotubes is merely dependent on the diameter of the host. This facile method is highly versatile opening up new horizons in the preparation of single-layered nanostructures. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Penetration of a Small Caliber Projectile into Single and Multi-layered Targets

Directory of Open Access Journals (Sweden)

Riad A.M.

2010-06-01

Full Text Available The normal penetration of armor-piercing projectiles into single and multi-layered steel plates has been investigated. An experimental program has been conducted to study the effect of spaced and in-contact layered targets on their ballistic resistance. Armor piercing projectiles with caliber of 7.62 mm were fired against a series of single and multi-layered steel targets. The projectile impact velocities were ranged from 300-600 m/s, whereas the total thicknesses of the tested single, spaced and in-contact layered steel targets were 3 mm. The penetration process of different tested target configurations has been simulated using Autodayn-2D hydrocode. The experimental measurements of the present work were used to discuss the effect of impact velocity, target configurations and number of layers of different spaced and in-contact layered steel targets on their ballistic resistance. In addition, the post-firing examination of the tested targets over the used impact velocity range showed that the single and each layer of spaced and in-contact laminated steel targets were failed by petalling. Finally, the obtained experimental measurements were compared with the corresponding numerical results of Autodyn-2D hydrocode, good agreement was generally obtained.

Influence of cutting parameters on the depth of subsurface deformed layer in nano-cutting process of single crystal copper.

Science.gov (United States)

Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Su, Hao; Wang, Zhiguo; Xie, Wenkun

2015-12-01

Large-scale molecular dynamics simulation is performed to study the nano-cutting process of single crystal copper realized by single-point diamond cutting tool in this paper. The centro-symmetry parameter is adopted to characterize the subsurface deformed layers and the distribution and evolution of the subsurface defect structures. Three-dimensional visualization and measurement technology are used to measure the depth of the subsurface deformed layers. The influence of cutting speed, cutting depth, cutting direction, and crystallographic orientation on the depth of subsurface deformed layers is systematically investigated. The results show that a lot of defect structures are formed in the subsurface of workpiece during nano-cutting process, for instance, stair-rod dislocations, stacking fault tetrahedron, atomic clusters, vacancy defects, point defects. In the process of nano-cutting, the depth of subsurface deformed layers increases with the cutting distance at the beginning, then decreases at stable cutting process, and basically remains unchanged when the cutting distance reaches up to 24 nm. The depth of subsurface deformed layers decreases with the increase in cutting speed between 50 and 300 m/s. The depth of subsurface deformed layer increases with cutting depth, proportionally, and basically remains unchanged when the cutting depth reaches over 6 nm.

Nitro Stretch Probing of a Single Molecular Layer to Monitor Shock Compression with Picosecond Time-Resolution

Science.gov (United States)

Berg, Christopher; Lagutchev, Alexei; Fu, Yuanxi; Dlott, Dana

2011-06-01

To obtain maximum possible temporal resolution, laser-driven shock compression of a molecular monolayer was studied using vibrational spectroscopy. The stretching transitions of nitro groups bound to aromatic rings was monitored using a nonlinear coherent infrared spectroscopy termed sum-frequency generation, which produced high-quality signals from this very thin layer. To overcome the shock opacity problem, a novel polymer overcoat method allowed us to make the observation window (witness plate) a few micrometers thick. The high signal-to-noise ratios (>100:1) obtained via this spectroscopy allowed us to study detailed behavior of the shocked molecules. To help interpret these vibrational spectra, additional spectra were obtained under conditions of static pressures up to 10 GPa and static temperatures up to 1000 C. Consequently, this experiment represents a significant step in resolving molecular dynamics during shock compression and unloading with both high spatial and temporal resolution. Supported by the Stewardship Sciences Academic Alliance Program from the Carnegie-DOE Alliance Center under grant number DOE CIW 4-3253-13 and the US Air Force Office of Scientific Research under award number FAA9550-09-1-0163.

Nano-soldering to single atomic layer

Science.gov (United States)

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

2011-10-11

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

Cellular and Axonal Diversity in Molecular Layer Heterotopia of the Rat Cerebellar Vermis

Directory of Open Access Journals (Sweden)

Sarah E. Van Dine

2013-01-01

Full Text Available Molecular layer heterotopia of the cerebellar primary fissure are a characteristic of many rat strains and are hypothesized to result from defect of granule cells exiting the external granule cell layer during cerebellar development. However, the cellular and axonal constituents of these malformations remain poorly understood. In the present report, we use histochemistry and immunocytochemistry to identify neuronal, glial, and axonal classes in molecular layer heterotopia. In particular, we identify parvalbumin-expressing molecular layer interneurons in heterotopia as well as three glial cell types including Bergmann glia, Olig2-expressing oligodendrocytes, and Iba1-expressing microglia. In addition, we document the presence of myelinated, serotonergic, catecholaminergic, and cholinergic axons in heterotopia indicating possible spinal and brainstem afferent projections to heterotopic cells. These findings are relevant toward understanding the mechanisms of normal and abnormal cerebellar development.

Growth of layered superconductor β-PdBi{sub 2} films using molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Denisov, N.V., E-mail: denisov@iacp.dvo.ru [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Matetskiy, A.V.; Tupkalo, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Zotov, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation); Department of Electronics, Vladivostok State University of Economics and Service, 690600 Vladivostok (Russian Federation); Saranin, A.A. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation)

2017-04-15

Highlights: • Bulk β-PdBi{sub 2} is layered material with advanced properties of topological superconductor. • We present a method for growing β-PdBi{sub 2} films of a desired thickness. • Method utilizes MBE growth of β-PdBi{sub 2}, using Bi(111) film on Si(111) as a template. • Electronic and superconducting properties of the films are similar to those of bulk β-PdBi{sub 2}. - Abstract: Bulk β-PdBi{sub 2} layered material exhibits advanced properties and is supposed to be probable topological superconductor. We present a method based on molecular beam epitaxy that allows us to grow β-PdBi{sub 2} films from a single β-PdBi{sub 2} triple layer up to the dozens of triple layers, using Bi(111) film on Si(111) as a template. The grown films demonstrate structural, electronic and superconducting properties similar to those of bulk β-PdBi{sub 2} crystals. Ability to grow the β-PdBi{sub 2} films of desired thickness opens the promising possibilities to explore fascinating properties of this advanced material.

Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4

Science.gov (United States)

Zhuang, Houlong L.; Zhou, Jia

2016-11-01

Searching for two-dimensional (2D) materials with multifunctionality is one of the main goals of current research in 2D materials. Magnetism and semiconducting are certainly two desirable functional properties for a single 2D material. In line with this goal, here we report a density functional theory (DFT) study of bulk and single-layer magnetic semiconductor CrPS4. We find that the ground-state magnetic structure of bulk CrPS4 exhibits the A-type antiferromagnetic ordering, which transforms to ferromagnetic (FM) ordering in single-layer CrPS4. The calculated formation energy and phonon spectrum confirm the stability of single-layer CrPS4. The band gaps of FM single-layer CrPS4 calculated with a hybrid density functional are within the visible-light range. We also study the effects of FM ordering on the optical absorption spectra and band alignments for water splitting, indicating that single-layer CrPS4 could be a potential photocatalyst. Our work opens up ample opportunities of energy-related applications of single-layer CrPS4.

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao

2016-07-25

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Determination of band offsets at GaN/single-layer MoS2 heterojunction

KAUST Repository

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Hedhili, Mohamed N.; Janjua, Bilal; Alias, Mohd Sharizal; Anjum, Dalaver H.; Tseng, Chien-Chih; Shi, Yumeng; Joyce, Hannah J.; Li, Lain-Jong; Ooi, Boon S.

2016-01-01

We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Single-layer and dual-layer contrast-enhanced mammography using amorphous selenium flat panel detectors

Energy Technology Data Exchange (ETDEWEB)

Allec, N; Abbaszadeh, S; Karim, K S, E-mail: nallec@uwaterloo.ca [Department of Electrical and Computer Engineering, University of Waterloo, 200 University Avenue West, Waterloo N2L 3G1 (Canada)

2011-09-21

The accumulation of injected contrast agents allows the image enhancement of lesions through the use of contrast-enhanced mammography. In this technique, the combination of two acquired images is used to create an enhanced image. There exist several methods to acquire the images to be combined, which include dual energy subtraction using a single detection layer that suffers from motion artifacts due to patient motion between image acquisition. To mitigate motion artifacts, a detector composed of two layers may be used to simultaneously acquire the low and high energy images. In this work, we evaluate both of these methods using amorphous selenium as the detection material to find the system parameters (tube voltage, filtration, photoconductor thickness and relative intensity ratio) leading to the optimal performance. We then compare the performance of the two detectors under the variation of contrast agent concentration, tumor size and dose. The detectability was found to be most comparable at the lower end of the evaluated factors. The single-layer detector not only led to better contrast, due to its greater spectral separation capabilities, but also had lower quantum noise. The single-layer detector was found to have a greater detectability by a factor of 2.4 for a 2.5 mm radius tumor having a contrast agent concentration of 1.5 mg ml{sup -1} in a 4.5 cm thick 50% glandular breast. The inclusion of motion artifacts in the comparison is part of ongoing research efforts.

Single-layer and dual-layer contrast-enhanced mammography using amorphous selenium flat panel detectors

Science.gov (United States)

Allec, N.; Abbaszadeh, S.; Karim, K. S.

2011-09-01

The accumulation of injected contrast agents allows the image enhancement of lesions through the use of contrast-enhanced mammography. In this technique, the combination of two acquired images is used to create an enhanced image. There exist several methods to acquire the images to be combined, which include dual energy subtraction using a single detection layer that suffers from motion artifacts due to patient motion between image acquisition. To mitigate motion artifacts, a detector composed of two layers may be used to simultaneously acquire the low and high energy images. In this work, we evaluate both of these methods using amorphous selenium as the detection material to find the system parameters (tube voltage, filtration, photoconductor thickness and relative intensity ratio) leading to the optimal performance. We then compare the performance of the two detectors under the variation of contrast agent concentration, tumor size and dose. The detectability was found to be most comparable at the lower end of the evaluated factors. The single-layer detector not only led to better contrast, due to its greater spectral separation capabilities, but also had lower quantum noise. The single-layer detector was found to have a greater detectability by a factor of 2.4 for a 2.5 mm radius tumor having a contrast agent concentration of 1.5 mg ml-1 in a 4.5 cm thick 50% glandular breast. The inclusion of motion artifacts in the comparison is part of ongoing research efforts.

Water desalination with a single-layer MoS2 nanopore

Science.gov (United States)

Heiranian, Mohammad; Farimani, Amir Barati; Aluru, Narayana R.

2015-10-01

Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 Å2. Water flux is found to be two to five orders of magnitude greater than that of other known nanoporous membranes. Pore chemistry is shown to play a significant role in modulating the water flux. Pores with only molybdenum atoms on their edges lead to higher fluxes, which are ~70% greater than that of graphene nanopores. These observations are explained by permeation coefficients, energy barriers, water density and velocity distributions in the pores.

Synthesis of Epitaxial Single-Layer MoS2 on Au(111).

Science.gov (United States)

Grønborg, Signe S; Ulstrup, Søren; Bianchi, Marco; Dendzik, Maciej; Sanders, Charlotte E; Lauritsen, Jeppe V; Hofmann, Philip; Miwa, Jill A

2015-09-08

We present a method for synthesizing large area epitaxial single-layer MoS2 on the Au(111) surface in ultrahigh vacuum. Using scanning tunneling microscopy and low energy electron diffraction, the evolution of the growth is followed from nanoscale single-layer MoS2 islands to a continuous MoS2 layer. An exceptionally good control over the MoS2 coverage is maintained using an approach based on cycles of Mo evaporation and sulfurization to first nucleate the MoS2 nanoislands and then gradually increase their size. During this growth process the native herringbone reconstruction of Au(111) is lifted as shown by low energy electron diffraction measurements. Within the MoS2 islands, we identify domains rotated by 60° that lead to atomically sharp line defects at domain boundaries. As the MoS2 coverage approaches the limit of a complete single layer, the formation of bilayer MoS2 islands is initiated. Angle-resolved photoemission spectroscopy measurements of both single and bilayer MoS2 samples show a dramatic change in their band structure around the center of the Brillouin zone. Brief exposure to air after removing the MoS2 layer from vacuum is not found to affect its quality.

Molecular Doping of the Hole-Transporting Layer for Efficient, Single-Step Deposited Colloidal Quantum Dot Photovoltaics

KAUST Repository

Kirmani, Ahmad R.

2017-07-31

Employment of thin perovskite shells and metal halides as surface-passivants for colloidal quantum dots (CQDs) have been important, recent developments in CQD optoelectronics. These have opened the route to single-step deposited high-performing CQD solar cells. These promising architectures employ a QD hole-transporting layer (HTL) whose intrinsically shallow Fermi level (EF) restricts band-bending at maximum power-point during solar cell operation limiting charge collection. Here, we demonstrate a generalized approach to effectively balance band-edge energy levels of the main CQD absorber and charge-transport layer for these high-performance solar cells. Briefly soaking the QD HTL in a solution of the metal-organic p-dopant, molybdenum tris(1-(trifluoroacetyl)-2-(trifluoromethyl)ethane-1,2-dithiolene), effectively deepens its Fermi level, resulting in enhanced band bending at the HTL:absorber junction. This blocks the back-flow of photo-generated electrons, leading to enhanced photocurrent and fill factor compared to undoped devices. We demonstrate 9.0% perovskite-shelled and 9.5% metal-halide-passivated CQD solar cells, both achieving ca. 10% relative enhancements over undoped baselines.

Tear film lipid layer: A molecular level view

Czech Academy of Sciences Publication Activity Database

Cwiklik, Lukasz

2016-01-01

Roč. 1858, č. 10 (2016), s. 2421-2430 ISSN 0005-2736 R&D Projects: GA ČR GA15-14292S Institutional support: RVO:61388955 Keywords : tear film * tear film lipid layer * molecular dynamics simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.498, year: 2016

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.

Magnetic moment of single layer graphene rings

Science.gov (United States)

Margulis, V. A.; Karpunin, V. V.; Mironova, K. I.

2018-01-01

Magnetic moment of single layer graphene rings is investigated. An analytical expression for the magnetic moment as a function of the magnetic field flux through the one-dimensional quantum rings is obtained. This expression has the oscillation character. The oscillation period is equal to one flux quanta.

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.

Controlling single-molecule junction conductance by molecular interactions

Science.gov (United States)

Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

2015-01-01

For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

Learning rate and attractor size of the single-layer perceptron

International Nuclear Information System (INIS)

Singleton, Martin S.; Huebler, Alfred W.

2007-01-01

We study the simplest possible order one single-layer perceptron with two inputs, using the delta rule with online learning, in order to derive closed form expressions for the mean convergence rates. We investigate the rate of convergence in weight space of the weight vectors corresponding to each of the 14 out of 16 linearly separable rules. These vectors follow zigzagging lines through the piecewise constant vector field to their respective attractors. Based on our studies, we conclude that a single-layer perceptron with N inputs will converge in an average number of steps given by an Nth order polynomial in (t/l), where t is the threshold, and l is the size of the initial weight distribution. Exact values for these averages are provided for the five linearly separable classes with N=2. We also demonstrate that the learning rate is determined by the attractor size, and that the attractors of a single-layer perceptron with N inputs partition R N +R N

Molecular spintronics using single-molecule magnets

Science.gov (United States)

Bogani, Lapo; Wernsdorfer, Wolfgang

2008-03-01

A revolution in electronics is in view, with the contemporary evolution of the two novel disciplines of spintronics and molecular electronics. A fundamental link between these two fields can be established using molecular magnetic materials and, in particular, single-molecule magnets. Here, we review the first progress in the resulting field, molecular spintronics, which will enable the manipulation of spin and charges in electronic devices containing one or more molecules. We discuss the advantages over more conventional materials, and the potential applications in information storage and processing. We also outline current challenges in the field, and propose convenient schemes to overcome them.

The effect of donor layer thickness on the power conversion efficiency of organic photovoltaic devices fabricated with a double small-molecular layer

International Nuclear Information System (INIS)

Lee, Su-Hwan; Kim, Dal-Ho; Shim, Tae-Hun; Park, Jea-Gun

2009-01-01

In organic photovoltaic (OPV) devices fabricated with a double small-molecular layer, the power conversion efficiency strongly depends on the thickness of the organic donor layer (here, copper phthalocyanine). In other words, the power conversion efficiency increases with the donor layer thickness up to a specific thickness (∼12.7 nm) and then decreases beyond that thickness. This trend is associated with the light absorption and carrier transport resistance of the small-molecular donor layer, both of which strongly depend on the layer thickness. Experimental and calculated results showed that the short-circuit current due to light absorption increased with the donor layer thickness, while that due to current through the donor layer decreased with 1/R. Since the total short-circuit current is the product of the light absorption current and current through the donor layer, there is a trade-off, and the maximum power conversion efficiency occurs at a specific organic donor layer thickness (e.g. ∼12.7 nm in this experiment).

Thermal vibration of a rectangular single-layered graphene sheet with quantum effects

International Nuclear Information System (INIS)

Wang, Lifeng; Hu, Haiyan

2014-01-01

The thermal vibration of a rectangular single-layered graphene sheet is investigated by using a rectangular nonlocal elastic plate model with quantum effects taken into account when the law of energy equipartition is unreliable. The relation between the temperature and the Root of Mean Squared (RMS) amplitude of vibration at any point of the rectangular single-layered graphene sheet in simply supported case is derived first from the rectangular nonlocal elastic plate model with the strain gradient of the second order taken into consideration so as to characterize the effect of microstructure of the graphene sheet. Then, the RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet simply supported on an elastic foundation is derived. The study shows that the RMS amplitude of the rectangular single-layered graphene sheet predicted from the quantum theory is lower than that predicted from the law of energy equipartition. The maximal relative difference of RMS amplitude of thermal vibration appears at the sheet corners. The microstructure of the graphene sheet has a little effect on the thermal vibrations of lower modes, but exhibits an obvious effect on the thermal vibrations of higher modes. The quantum effect is more important for the thermal vibration of higher modes in the case of smaller sides and lower temperature. The relative difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet decreases monotonically with an increase of temperature. The absolute difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet increases slowly with the rising of Winkler foundation modulus.

A COMPARATIVE STUDY OF SINGLE VERSUS DOUBLE LAYER CLOSURE ON LOWER SEGMENT CAESAREAN SCAR

Directory of Open Access Journals (Sweden)

Kirtirekha Mohapatra

2016-10-01

Full Text Available BACKGROUND There are few issues in modern obstetrics that have been as controversial as management of a woman with a prior caesarean delivery. Hence, it is required to have evidence based correct practice of this surgical procedure. Healing of the uterine incision and the strength of the scar should be the most important consideration. The aim of the study is to compare the effect of technique of uterine closure (Single Layer vs. Double Layer on subsequent pregnancies and to find out, which technique has a better maternal and neonatal outcome by strengthening the scar. MATERIALS AND METHODS 500 cases of previous caesarean section pregnancies were taken, 250 from single layer closure group and 250 from double layer closure group. The mode of delivery during present pregnancy was noted. Integrity of scar, thickness of scar, presence of adhesion were documented. The neonates were observed. Results were compared so as to draw an inference about the better method. RESULTS Mean age between the two groups were similar. Majority did not have history of premature rupture of membrane during previous pregnancy. Postoperative complications were more when double layer closure of uterine scar was done in index surgery. Interpregnancy gap of <3 years was more commonly present in double layer closure group (52.8% in double layer versus 34.8% in single layer. Single layer had more scar tenderness (21.2%, thinned out scars (34.6%, incomplete ruptures (7.1% and complete ruptures (2.8% than double layer closure group. Neonatal outcomes were not statistically different in both the groups. CONCLUSION Double layer uterine closure seems to have better impact on scar integrity as compared to single layer uterine closure.

Interface modification of organic photovoltaics by combining molybdenum oxide (MoO{sub x}) and molecular template layer

Energy Technology Data Exchange (ETDEWEB)

Duan, Haichao [Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Yang, Junliang, E-mail: junliang.yang@csu.edu.cn [Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Fu, Lin; Xiong, Jian; Yang, Bingchu; Ouyang, Jun; Zhou, Conghua; Huang, Han [Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Gao, Yongli [Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627 (United States)

2015-01-01

We report discrete heterojunction small molecular organic photovoltaics (OPVs) with enhanced performance by modifying the interface using molybdenum oxide (MoO{sub x}) and molecular template layer perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA). A large increase in open-circuit voltage was obtained in copper phthalocyanine/fullerene, i.e., CuPc/C{sub 60} and CuPc/PCBM, discrete planar heterojunction photovoltaics with an insertion of 5 nm MoO{sub x} hole transport layer at the interface between the anode electrode and the CuPc donor layer. It results from the band bending at the interface and the pinning of the highest occupied molecular orbital level of CuPc to the Fermi level of MoO{sub x} due to the defect states (oxygen vacancies) in MoO{sub x} thin films. Moreover, the short-circuit current showed an efficient improvement by inserting a 1 nm PTCDA layer at the interface between the MoO{sub x} layer and the CuPc layer. The PTCDA layer induces the growth of CuPc thin film with lying-down molecular arrangement, supporting the charge transports along the vertical direction. The power conversion efficiencies of CuPc/C{sub 60} and CuPc/PCBM discrete planar heterojunction photovoltaic devices were improved from about 0.80% to 1.50% with inserting both MoO{sub x} and PTCDA layers. The results suggest that the performance of organic discrete planar heterojunction photovoltaics could be optimized by interface modification with combining hole transport layer and molecular template layer, which are potentially suitable for other highly efficient OPVs, such as small molecular tandem OPVs. - Highlights: • Organic small molecule photovoltaics were fabricated by interface modification. • An inserted molybdenum oxide layer largely enhances open-circuit voltage. • An inserted molecular template layer dramatically improves short-circuit current. • The power conversion efficiencies are almost doubled with interface modification.

Comparison of single and dual layer detector blocks for pre-clinical MRI–PET

International Nuclear Information System (INIS)

Thompson, Christopher; Stortz, Greg; Goertzen, Andrew; Berg, Eric; Retière, Fabrice; Kozlowski, Piotr; Ryner, Lawrence; Sossi, Vesna; Zhang, Xuezhu

2013-01-01

Dual or multi-layer crystal blocks have been proposed to minimise the radial blurring effect in PET scanners with small ring diameters. We measured two potential PET detector blocks' performance in a configuration which would allow 16 blocks in a ring which could be inserted in a small animal 7T MRI scanner. Two crystal sizes, 1.60×1.60 mm 2 and 1.20×1.20 mm 2 , were investigated. Single layer blocks had 10 or 12 mm deep crystals, the dual layer blocks had 4 mm deep crystals on the top layer and 6 mm deep crystals on the bottom layer. The crystals in the dual layer blocks are offset by ½ of the crystal pitch to allow for purely geometric crystal identification. Both were read out with SensL 4×4 SiPM arrays. The software identifies 64 crystals in the single layer and either 85 or 113 crystals in the dual layer array, (either 49 or 64 in the lower layers and 36 or 49 in the upper layers). All the crystals were clearly visible in the crystal identification images and their resolvability indexes (average FWHM/crystal separation) were shown to range from 0.29 for the best single layer block to 0.33 for the densest dual layer block. The best coincidence response FWHM was 0.95 mm for the densest block at the centre of the field. This degraded to 1.83 mm at a simulated radial offset of 16 mm from the centre, while the single layer crystals blurred this result to 3.4 mm. The energy resolution was 16.4±2.2% averaged over the 113 crystals of the densest block

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

Single-layer graphene on silicon nitride micromembrane resonators

DEFF Research Database (Denmark)

Schmid, Silvan; Bagci, Tolga; Zeuthen, Emil

2014-01-01

Due to their low mass, high quality factor, and good optical properties, silicon nitride (SiN) micromembrane resonators are widely used in force and mass sensing applications, particularly in optomechanics. The metallization of such membranes would enable an electronic integration with the prospect...... for exciting new devices, such as optoelectromechanical transducers. Here, we add a single-layer graphene on SiN micromembranes and compare electromechanical coupling and mechanical properties to bare dielectric membranes and to membranes metallized with an aluminium layer. The electrostatic coupling...

Ultrahigh-throughput exfoliation of graphite into pristine ‘single-layer’ graphene using microwaves and molecularly engineered ionic liquids

Science.gov (United States)

Matsumoto, Michio; Saito, Yusuke; Park, Chiyoung; Fukushima, Takanori; Aida, Takuzo

2015-09-01

Graphene has shown much promise as an organic electronic material but, despite recent achievements in the production of few-layer graphene, the quantitative exfoliation of graphite into pristine single-layer graphene has remained one of the main challenges in developing practical devices. Recently, reduced graphene oxide has been recognized as a non-feasible alternative to graphene owing to variable defect types and levels, and attention is turning towards reliable methods for the high-throughput exfoliation of graphite. Here we report that microwave irradiation of graphite suspended in molecularly engineered oligomeric ionic liquids allows for ultrahigh-efficiency exfoliation (93% yield) with a high selectivity (95%) towards ‘single-layer’ graphene (that is, with thicknesses oligomeric ionic liquids up to ~100 mg ml-1, and form physical gels in which an anisotropic orientation of graphene sheets, once induced by a magnetic field, is maintained.

Fabrication of GaN epitaxial thin film on InGaZnO4 single-crystalline buffer layer

International Nuclear Information System (INIS)

Shinozaki, Tomomasa; Nomura, Kenji; Katase, Takayoshi; Kamiya, Toshio; Hirano, Masahiro; Hosono, Hideo

2010-01-01

Epitaxial (0001) films of GaN were grown on (111) YSZ substrates using single-crystalline InGaZnO 4 (sc-IGZO) lattice-matched buffer layers by molecular beam epitaxy with a NH 3 source. The epitaxial relationships are (0001) GaN //(0001) IGZO //(111) YSZ in out-of-plane and [112-bar 0] GaN //[112-bar 0] IGZO //[11-bar 0] YSZ in in-plane. This is different from those reported for GaN on many oxide crystals; the in-plane orientation of GaN crystal lattice is rotated by 30 o with respect to those of oxide substrates except for ZnO. Although these GaN films showed relatively large tilting and twisting angles, which would be due to the reaction between GaN and IGZO, the GaN films grown on the sc-IGZO buffer layers exhibited stronger band-edge photoluminescence than GaN grown on a low-temperature GaN buffer layer.

Kernel Function Tuning for Single-Layer Neural Networks

Czech Academy of Sciences Publication Activity Database

Vidnerová, Petra; Neruda, Roman

-, accepted 28.11. 2017 (2018) ISSN 2278-0149 R&D Projects: GA ČR GA15-18108S Institutional support: RVO:67985807 Keywords : single-layer neural networks * kernel methods * kernel function * optimisation Subject RIV: IN - Informatics, Computer Science http://www.ijmerr.com/

A General Method for Determining Molecular Interfaces and Layers.

Czech Academy of Sciences Publication Activity Database

Škvor, J.; Škvára, J.; Jirsák, Jan; Nezbeda, Ivo

2017-01-01

Roč. 76, SEP 2017 (2017), s. 17-35 ISSN 1093-3263 R&D Projects: GA ČR GA15-19542S Institutional support: RVO:67985858 Keywords : interface * molecular layers * percolating cluster Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.754, year: 2016

A microfluidic galvanic cell on a single layer of paper

Science.gov (United States)

Purohit, Krutarth H.; Emrani, Saina; Rodriguez, Sandra; Liaw, Shi-Shen; Pham, Linda; Galvan, Vicente; Domalaon, Kryls; Gomez, Frank A.; Haan, John L.

2016-06-01

Paper microfluidics is used to produce single layer galvanic and hybrid cells to produce energy that could power paper-based analytical sensors. When two aqueous streams are absorbed onto paper to establish co-laminar flow, the streams stay in contact with each other with limited mixing. The interface at which mixing occurs acts as a charge-transfer region, eliminating the need for a salt bridge. We designed a Cusbnd Zn galvanic cell that powers an LED when two are placed in series. We also used more powerful redox couples (formate and silver, formate and permanganate) to produce higher power density (18 and 3.1 mW mg-1 Pd). These power densities are greater than previously reported paper microfluidic fuel cells using formate or methanol. The single layer design is much more simplified than previous reports of multi-layer galvanic cells on paper.

Selective exfoliation of single-layer graphene from non-uniform graphene grown on Cu

International Nuclear Information System (INIS)

Lim, Jae-Young; Lee, Jae-Hyun; Jang, Hyeon-Sik; Whang, Dongmok; Joo, Won-Jae; Hwang, SungWoo

2015-01-01

Graphene growth on a copper surface via metal-catalyzed chemical vapor deposition has several advantages in terms of providing high-quality graphene with the potential for scale-up, but the product is usually inhomogeneous due to the inability to control the graphene layer growth. The non-uniform regions strongly affect the reliability of the graphene in practical electronic applications. Herein, we report a novel graphene transfer method that allows for the selective exfoliation of single-layer graphene from non-uniform graphene grown on a Cu foil. Differences in the interlayer bonding energy are exploited to mechanically separate only the top single-layer graphene and transfer this to an arbitrary substrate. The dry-transferred single-layer graphene showed electrical characteristics that were more uniform than those of graphene transferred using conventional wet-etching transfer steps. (paper)

LENA Conversion Foils Using Single-Layer Graphene, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Our key innovation will be the use of single-layer graphene as LENA conversion foils, with appropriate microgrids and nanogrids to support the foils. Phase I...

Structure and electronic properties of Zn-tetra-phenyl-porphyrin single- and multi-layers films grown on Fe(001)-p(1 × 1)O

Energy Technology Data Exchange (ETDEWEB)

Bussetti, Gianlorenzo, E-mail: gianlorenzo.bussetti@polimi.it; Calloni, Alberto; Celeri, Matteo; Yivlialin, Rossella; Finazzi, Marco; Bottegoni, Federico; Duò, Lamberto; Ciccacci, Franco

2016-12-30

Highlights: • ZnTPP/Fe(001)-p(1 × 1)O is a prototypical system to investigate the porphyrin/thin metal oxide film interaction. • Oxygen layer plays a crucial role in decreasing the porphyrin-substrate interaction. • An ordered ZnTPP (5 × 5) reconstruction is found on the nominal 1 ML-thick film. • On Fe(001)-p(1 × 1)O the electronic properties of the ZnTPP film are preserved with respect to other substrates. - Abstract: The structure and the electronic properties of thin (1 molecular layer) and thick (20 molecular layers) Zn-tetra-phenyl-porphyrin (ZnTPP) films grown on a single metal oxide (MO) layer, namely Fe(001)-p(1 × 1)O, are shown and discussed. During the first stages of deposition, the ultra-thin MO layer reduces the molecule-substrate interaction enhancing the molecular diffusivity with the respect to other investigated substrates [namely, Si(111), Au(001) and oxygen-free Fe(001)]. On Fe(001)-p(1 × 1)O, ZnTPP molecules form an ordered and stable square-lattice array. The photoemission analysis of the valence bands reveals that all the characteristic features of the molecule are already visible in the 1 monolayer-thick sample spectrum. Similarly, the core level investigation suggests a weak molecule perturbation. The ZnTPP/Fe(001)-p(1 × 1)O interface represents a prototypical system to investigate the organic film adhesion on ultra-thin MO layers and the processes involved during the film growth.

Electron molecular beam epitaxy: Layer-by-layer growth of complex oxides via pulsed electron-beam deposition

International Nuclear Information System (INIS)

Comes, Ryan; Liu Hongxue; Lu Jiwei; Gu, Man; Khokhlov, Mikhail; Wolf, Stuart A.

2013-01-01

Complex oxide epitaxial film growth is a rich and exciting field, owing to the wide variety of physical properties present in oxides. These properties include ferroelectricity, ferromagnetism, spin-polarization, and a variety of other correlated phenomena. Traditionally, high quality epitaxial oxide films have been grown via oxide molecular beam epitaxy or pulsed laser deposition. Here, we present the growth of high quality epitaxial films using an alternative approach, the pulsed electron-beam deposition technique. We demonstrate all three epitaxial growth modes in different oxide systems: Frank-van der Merwe (layer-by-layer); Stranski-Krastanov (layer-then-island); and Volmer-Weber (island). Analysis of film quality and morphology is presented and techniques to optimize the morphology of films are discussed.

Electrically Anisotropic Layered Perovskite Single Crystal

KAUST Repository

Li, Ting-You

2016-04-01

Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

Determination of band offsets at GaN/single-layer MoS{sub 2} heterojunction

Energy Technology Data Exchange (ETDEWEB)

Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Janjua, Bilal; Alias, Mohd Sharizal; Ooi, Boon S., E-mail: boon.ooi@kaust.edu.sa [Photonics Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Hedhili, Mohamed Nejib; Anjum, Dalaver H. [Adavanced Nanofabrication Imaging and Characterization, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Tseng, Chien-Chih; Shi, Yumeng; Li, Lain-Jong [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Joyce, Hannah J. [Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge, Cambridgeshire CB3 0FA (United Kingdom)

2016-07-18

We report the band alignment parameters of the GaN/single-layer (SL) MoS{sub 2} heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS{sub 2}/c-sapphire. We confirm that the MoS{sub 2} is an SL by measuring the separation and position of room temperature micro-Raman E{sup 1}{sub 2g} and A{sup 1}{sub g} modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS{sub 2} heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS{sub 2} and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

Electrochemistry at the edge of a single graphene layer in a nanopore

DEFF Research Database (Denmark)

Banerjee, Sutanuka; Shim, Jeong; Rivera, J.

2013-01-01

We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and AlO dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to a unique...

Thermal conductance of interfaces with molecular layers - low temperature transient absorption study on gold nanorods supported on self assembled monolayers

Science.gov (United States)

Wang, Wei; Huang, Jingyu; Murphy, Catherine; Cahill, David; University of Illinois At Urbana Champaign, Department of Materials Science; Engineering Team; Department Collaboration

2011-03-01

While heat transfer via phonons across solid-solid boundary has been a core field in condense matter physics for many years, vibrational energy transport across molecular layers has been less well elucidated. We heat rectangular-shaped gold nanocrystals (nanorods) with Ti-sapphire femtosecond pulsed laser at their longitudinal surface plasmon absorption wavelength to watch how their temperature evolves in picoseconds transient. We observed single exponential decay behavior, which suggests that the heat dissipation is only governed by a single interfacial conductance value. The ``RC'' time constant was 300ps, corresponding to a conductance value of 95MW/ m 2 K. This interfacial conductance value is also a function of ambient temperature since at temperatures as low as 80K, which are below the Debye temperature of organic layers, several phonon modes were quenched, which shut down the dominating channels that conduct heat at room temperature.

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

Status epilepticus increases mature granule cells in the molecular layer of the dentate gyrus in rats★

Science.gov (United States)

Liang, Zhaoliang; Gao, Fei; Wang, Fajun; Wang, Xiaochen; Song, Xinyu; Liu, Kejing; Zhan, Ren-Zhi

2013-01-01

Enhanced neurogenesis in the dentate gyrus of the hippocampus following seizure activity, especially status epilepticus, is associated with ectopic residence and aberrant integration of newborn granule cells. Hilar ectopic granule cells may be detrimental to the stability of dentate circuitry by means of their electrophysiological properties and synaptic connectivity. We hypothesized that status epilepticus also increases ectopic granule cells in the molecular layer. Status epilepticus was induced in male Sprague-Dawley rats by intraperitoneal injection of pilocarpine. Immunostaining showed that many doublecortin-positive cells were present in the molecular layer and the hilus 7 days after the induction of status epilepticus. At least 10 weeks after status epilepticus, the estimated number of cells positive for both prospero homeobox protein 1 and neuron-specific nuclear protein in the hilus was significantly increased. A similar trend was also found in the molecular layer. These findings indicate that status epilepticus can increase the numbers of mature and ectopic newborn granule cells in the molecular layer. PMID:25206705

Molecular beam epitaxy of InN layers on Sapphire, GaN and indium tin oxide

Energy Technology Data Exchange (ETDEWEB)

Denker, Christian; Landgraf, Boris; Schuhmann, Henning; Malindretos, Joerg; Seibt, Michael; Rizzi, Angela [IV. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany); Segura-Ruiz, Jaime; Gomez-Gomez, Maribel; Cantarero, Andres [Materials Science Institute, University of Valencia, Paterna (Spain)

2009-07-01

Among the group-III nitrides semiconductors, InN is the one with the narrowest gap (0.67 eV), lowest effective electron mass and highest peak drift velocity. It is therefore a very interesting material for several applications, in particular semiconductor solar cells. Furthermore, the high electron affinity makes it suitable also as electrode material for organic solar cells. InN layers were grown by molecular beam epitaxy on MOCVD GaN templates, on bare c-plane sapphire and on polycrystalline indium tin oxide. On all substrates the III-V ratio as well as the substrate temperature was varied. A RHEED analysis of InN growth on GaN showed a relatively sharp transition from N-rich and columnar growth to In-rich growth with droplet formation by increasing the In flux impinging on the surface. The InN layers on single crystalline substrates were characterized by SEM, AFM, XRD, PL and Raman. The InN layers on ITO were mainly analyzed with respect to the surface morphology with SEM. HRTEM in cross section gives insight into the structure of the interface to the ITO substrate.

Fabrication of a single layer graphene by copper intercalation on a SiC(0001) surface

International Nuclear Information System (INIS)

Yagyu, Kazuma; Tochihara, Hiroshi; Tomokage, Hajime; Suzuki, Takayuki; Tajiri, Takayuki; Kohno, Atsushi; Takahashi, Kazutoshi

2014-01-01

Cu atoms deposited on a zero layer graphene grown on a SiC(0001) substrate, intercalate between the zero layer graphene and the SiC substrate after the thermal annealing above 600 °C, forming a Cu-intercalated single layer graphene. On the Cu-intercalated single layer graphene, a graphene lattice with superstructure due to moiré pattern is observed by scanning tunneling microscopy, and specific linear dispersion at the K ¯ point as well as a characteristic peak in a C 1s core level spectrum, which is originated from a free-standing graphene, is confirmed by photoemission spectroscopy. The Cu-intercalated single layer graphene is found to be n-doped

Zero lattice mismatch and twin-free single crystalline ScN buffer layers for GaN growth on silicon

Energy Technology Data Exchange (ETDEWEB)

Lupina, L.; Zoellner, M. H.; Dietrich, B.; Capellini, G. [IHP, Im Technologiepark 25, 15236 Frankfurt, Oder (Germany); Niermann, T.; Lehmann, M. [Technische Universität Berlin, Institut für Optik und Atomare Physik, Straße des 17. Juni 135, 10623 Berlin (Germany); Thapa, S. B.; Haeberlen, M.; Storck, P. [SILTRONIC AG, Hanns-Seidel-Platz 4, 81737 München (Germany); Schroeder, T. [IHP, Im Technologiepark 25, 15236 Frankfurt, Oder (Germany); BTU Cottbus, Konrad-Zuse-Str. 1, 03046 Cottbus (Germany)

2015-11-16

We report the growth of thin ScN layers deposited by plasma-assisted molecular beam epitaxy on Sc{sub 2}O{sub 3}/Y{sub 2}O{sub 3}/Si(111) substrates. Using x-ray diffraction, Raman spectroscopy, and transmission electron microscopy, we find that ScN films grown at 600 °C are single crystalline, twin-free with rock-salt crystal structure, and exhibit a direct optical band gap of 2.2 eV. A high degree of crystalline perfection and a very good lattice matching between ScN and GaN (misfit < 0.1%) makes the ScN/Sc{sub 2}O{sub 3}/Y{sub 2}O{sub 3} buffer system a very promising template for the growth of high quality GaN layers on silicon.

Sidewall GaAs tunnel junctions fabricated using molecular layer epitaxy

Directory of Open Access Journals (Sweden)

Takeo Ohno and Yutaka Oyama

2012-01-01

Full Text Available In this article we review the fundamental properties and applications of sidewall GaAs tunnel junctions. Heavily impurity-doped GaAs epitaxial layers were prepared using molecular layer epitaxy (MLE, in which intermittent injections of precursors in ultrahigh vacuum were applied, and sidewall tunnel junctions were fabricated using a combination of device mesa wet etching of the GaAs MLE layer and low-temperature area-selective regrowth. The fabricated tunnel junctions on the GaAs sidewall with normal mesa orientation showed a record peak current density of 35 000 A cm-2. They can potentially be used as terahertz devices such as a tunnel injection transit time effect diode or an ideal static induction transistor.

Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

International Nuclear Information System (INIS)

Zoest, J.M. van.

1986-01-01

This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

Protecting nickel with graphene spin-filtering membranes: A single layer is enough

Energy Technology Data Exchange (ETDEWEB)

Martin, M.-B.; Dlubak, B.; Piquemal-Banci, M.; Collin, S.; Petroff, F.; Anane, A.; Fert, A.; Seneor, P. [Unité Mixte de Physique CNRS/Thales, 1 Avenue Augustin Fresnel, 91767 Palaiseau, France and Université Paris Sud, 91405 Orsay (France); Weatherup, R. S.; Hofmann, S.; Robertson, J. [Department of Engineering, University of Cambridge, Cambridge CB21PZ (United Kingdom); Yang, H. [IBS Center for Integrated Nanostructure Physics (CINAP), Institute for Basic Science, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Department of Energy Science, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Blume, R. [Helmholtz-Zentrum Berlin fur Materialien und Energie, 12489 Berlin (Germany); Schloegl, R. [Department of Inorganic Chemistry, Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin (Germany)

2015-07-06

We report on the demonstration of ferromagnetic spin injectors for spintronics which are protected against oxidation through passivation by a single layer of graphene. The graphene monolayer is directly grown by catalytic chemical vapor deposition on pre-patterned nickel electrodes. X-ray photoelectron spectroscopy reveals that even with its monoatomic thickness, monolayer graphene still efficiently protects spin sources against oxidation in ambient air. The resulting single layer passivated electrodes are integrated into spin valves and demonstrated to act as spin polarizers. Strikingly, the atom-thick graphene layer is shown to be sufficient to induce a characteristic spin filtering effect evidenced through the sign reversal of the measured magnetoresistance.

Single-layer 1T‧-MoS2 under electron irradiation from ab initio molecular dynamics

Science.gov (United States)

Pizzochero, Michele; Yazyev, Oleg V.

2018-04-01

Irradiation with high-energy particles has recently emerged as an effective tool for tailoring the properties of two-dimensional transition metal dichalcogenides. In order to carry out an atomically-precise manipulation of the lattice, a detailed understanding of the beam-induced events occurring at the atomic scale is necessary. Here, we investigate the response of 1T' -MoS2 to the electron irradiation by ab initio molecular dynamics means. Our simulations suggest that an electron beam with energy smaller than 75 keV does not result in any knock-on damage. The displacement threshold energies are different for the two nonequivalent sulfur atoms in 1T' -MoS2 and strongly depend on whether the top or bottom chalcogen layer is considered. As a result, a careful tuning of the beam energy can promote the formation of ordered defects in the sample. We further discuss the effect of the electron irradiation in the neighborhood of a defective site, the mobility of the sulfur vacancies created and their tendency to aggregate. Overall, our work provides useful guidelines for the imaging and the defect engineering of 1T' -MoS2 using electron microscopy.

Phonon-limited mobility in n-type single-layer MoS2 from first principles

DEFF Research Database (Denmark)

Kaasbjerg, Kristen; Thygesen, Kristian S.; Jacobsen, Karsten W.

2012-01-01

We study the phonon-limited mobility in intrinsic n-type single-layer MoS2 for temperatures T > 100 K. The materials properties including the electron-phonon interaction are calculated from first principles and the deformation potentials and Frohlich interaction in single-layer MoS2 are established...... to recent experimental findings for the mobility in single-layer MoS2 (similar to 200 cm(2)V(-1)s(-1)), our results indicate that mobilities close to the intrinsic phonon-limited mobility can be achieved in two-dimensional materials via dielectric engineering that effectively screens static Coulomb...

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.

Improvement of GaN epilayer by gradient layer method with molecular-beam epitaxy

International Nuclear Information System (INIS)

Chen, Yen-Liang; Lo, Ikai; Gau, Ming-Hong; Hsieh, Chia-Ho; Sham, Meng-Wei; Pang, Wen-Yuan; Hsu, Yu-Chi; Tsai, Jenn-Kai; Schuber, Ralf; Schaadt, Daniel

2012-01-01

We demonstrated a molecular beam epitaxy method to resolve the dilemma between structural and morphological quality in growth of the GaN epilayer. A gradient buffer layer was grown in such a way that the N/Ga ratio was gradually changed from nitrogen-rich to gallium-rich. The GaN epitaxial layer was then grown on the gradient buffer layer. In the X-ray diffraction analysis of GaN(002) rocking curves, we found that the full width at half-maximum was improved from 531.69″ to 59.43″ for the sample with a gradient buffer layer as compared to a purely gallium-rich grown sample. Atomic force microscopy analysis showed that the root-mean-square roughness of the surface was improved from 18.28 nm to 1.62 nm over an area of 5 × 5 μm 2 with respect to a purely nitrogen-rich grown sample. Raman scattering showed the presence of a slightly tilted plane in the gradient layer. Furthermore we showed that the gradient layer can also slash the strain force caused by either Ga-rich GaN epitaxial layer or AlN buffer layer. - Highlights: ► The samples were grown by plasma-assisted molecular beam epitaxy. ► The GaN epilayer was grown on sapphire substrate. ► The samples were characterized by X-ray diffraction and atomic force microscopy. ► The sample quality was improved by gradient buffer layer.

Strong piezoelectricity in single-layer graphene deposited on SiO2 grating substrates.

Science.gov (United States)

da Cunha Rodrigues, Gonçalo; Zelenovskiy, Pavel; Romanyuk, Konstantin; Luchkin, Sergey; Kopelevich, Yakov; Kholkin, Andrei

2015-06-25

Electromechanical response of materials is a key property for various applications ranging from actuators to sophisticated nanoelectromechanical systems. Here electromechanical properties of the single-layer graphene transferred onto SiO2 calibration grating substrates is studied via piezoresponse force microscopy and confocal Raman spectroscopy. The correlation of mechanical strains in graphene layer with the substrate morphology is established via Raman mapping. Apparent vertical piezoresponse from the single-layer graphene supported by underlying SiO2 structure is observed by piezoresponse force microscopy. The calculated vertical piezocoefficient is about 1.4 nm V(-1), that is, much higher than that of the conventional piezoelectric materials such as lead zirconate titanate and comparable to that of relaxor single crystals. The observed piezoresponse and achieved strain in graphene are associated with the chemical interaction of graphene's carbon atoms with the oxygen from underlying SiO2. The results provide a basis for future applications of graphene layers for sensing, actuating and energy harvesting.

Anisotropic carrier mobility in single- and bi-layer C3N sheets

Science.gov (United States)

Wang, Xueyan; Li, Qingfang; Wang, Haifeng; Gao, Yan; Hou, Juan; Shao, Jianxin

2018-05-01

Based on the density functional theory combined with the Boltzmann transport equation with relaxation time approximation, we investigate the electronic structure and predict the carrier mobility of single- and bi-layer newly fabricated 2D carbon nitrides C3N. Although C3N sheets possess graphene-like planar hexagonal structure, the calculated carrier mobility is remarkably anisotropic, which is found mainly induced by the anisotropic effective masses and deformation potential constants. Importantly, we find that both the electron and hole mobilities are considerable high, for example, the hole mobility along the armchair direction of single-layer C3N sheets can arrive as high as 1.08 ×104 cm2 V-1 s-1, greatly larger than that of C2N-h2D and many other typical 2D materials. Owing to the high and anisotropic carrier mobility and appropriate band gap, single- and bi-layer semiconducting C3N sheets may have great potential applications in high performance electronic and optoelectronic devices.

Study of the mechanical properties of single- layer and multi-layer metallic coatings with protective-decorative applications

Directory of Open Access Journals (Sweden)

Cherneva Sabina

2018-01-01

Full Text Available Single thin coating of matt nickel (Nimat, a mirror bright copper (Cubright, a mirror bright nickel (Nibright and their combinations were electrochemically deposited on brass substrate with thickness 500 μm. The basic aim was electrodeposition of two-layer Cubright/Nimat and Nibright/Cubright systems, and three-layer Nibright Cubrigh/Nimat system, which are among the most widely applied protective and decorative systems in light and medium operating conditions of corrosion. The thicknesses of the obtained films varied from 1 μm to 3.25 μm. They were investigated via nanoindentation experiments, in order to characterize their basic physical and mechanical characteristics, related with their good adhesion and corrosion protective ability, as well as ensuring the integrity of the system “protective coating/substrate” to possible mechanical, dynamic and/or thermal stresses. As a result, load-displacement curves were obtained and indentation hardness and indentation modulus were calculated using the Oliver & Pharr approximation method. The dependence of the indentation modulus and the indentation hardness on the depth of the indentation, surface morphology and structure of the obtained coatings, their texture and surface roughness were investigated too. The obtained results showed that the three-layer Nibright/Cubright /Niimat/CuZn37 system has highest indentation modulus and indentation hardness, following by two-layer Nibright/Cubright system and single layer coatings.

Gap opening and tuning in single-layer graphene with combined electric and magnetic field modulation

Institute of Scientific and Technical Information of China (English)

Lin Xin; Wang Hai-Long; Pan Hui; Xu Huai-Zhe

2011-01-01

The energy band structure of single-layer graphene under one-dimensional electric and magnetic field modulation is theoretically investigated. The criterion for bandgap opening at the Dirac point is analytically derived with a two-fold degeneracy second-order perturbation method. It is shown that a direct or an indirect bandgap semiconductor could be realized in a single-layer graphene under some specific configurations of the electric and magnetic field arrangement. Due to the bandgap generated in the single-layer graphene, the Klein tunneling observed in pristine graphene is completely suppressed.

Synthesis of few layer single crystal graphene grains on platinum by chemical vapour deposition

Directory of Open Access Journals (Sweden)

S. Karamat

2015-08-01

Full Text Available The present competition of graphene electronics demands an efficient route which produces high quality and large area graphene. Chemical vapour deposition technique, where hydrocarbons dissociate in to active carbon species and form graphene layer on the desired metal catalyst via nucleation is considered as the most suitable method. In this study, single layer graphene with the presence of few layer single crystal graphene grains were grown on Pt foil via chemical vapour deposition. The higher growth temperature changes the surface morphology of the Pt foil so a delicate process of hydrogen bubbling was used to peel off graphene from Pt foil samples with the mechanical support of photoresist and further transferred to SiO2/Si substrates for analysis. Optical microscopy of the graphene transferred samples showed the regions of single layer along with different oriented graphene domains. Two type of interlayer stacking sequences, Bernal and twisted, were observed in the graphene grains. The presence of different stacking sequences in the graphene layers influence the electronic and optical properties; in Bernal stacking the band gap can be tunable and in twisted stacking the overall sheet resistance can be reduced. Grain boundaries of Pt provides low energy sites to the carbon species, therefore the nucleation of grains are more at the boundaries. The stacking order and the number of layers in grains were seen more clearly with scanning electron microscopy. Raman spectroscopy showed high quality graphene samples due to very small D peak. 2D Raman peak for single layer graphene showed full width half maximum (FWHM value of 30 cm−1. At points A, B and C, Bernal stacked grain showed FWHM values of 51.22, 58.45 and 64.72 cm−1, while twisted stacked grain showed the FWHM values of 27.26, 28.83 and 20.99 cm−1, respectively. FWHM values of 2D peak of Bernal stacked grain showed an increase of 20–30 cm−1 as compare to single layer graphene

Improvement of GaN epilayer by gradient layer method with molecular-beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Chen, Yen-Liang [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Lo, Ikai, E-mail: ikailo@mail.phys.nsysu.edu.tw [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Gau, Ming-Hong; Hsieh, Chia-Ho; Sham, Meng-Wei; Pang, Wen-Yuan; Hsu, Yu-Chi [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Tsai, Jenn-Kai [Department of Electronics Engineering, National Formosa University, Hu-Wei, Yun-Lin County 63208, Taiwan, ROC (China); Schuber, Ralf; Schaadt, Daniel [Institute of Applied Physics/DFG-Center for Functional Nanostructures (CFN), Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany)

2012-07-31

We demonstrated a molecular beam epitaxy method to resolve the dilemma between structural and morphological quality in growth of the GaN epilayer. A gradient buffer layer was grown in such a way that the N/Ga ratio was gradually changed from nitrogen-rich to gallium-rich. The GaN epitaxial layer was then grown on the gradient buffer layer. In the X-ray diffraction analysis of GaN(002) rocking curves, we found that the full width at half-maximum was improved from 531.69 Double-Prime to 59.43 Double-Prime for the sample with a gradient buffer layer as compared to a purely gallium-rich grown sample. Atomic force microscopy analysis showed that the root-mean-square roughness of the surface was improved from 18.28 nm to 1.62 nm over an area of 5 Multiplication-Sign 5 {mu}m{sup 2} with respect to a purely nitrogen-rich grown sample. Raman scattering showed the presence of a slightly tilted plane in the gradient layer. Furthermore we showed that the gradient layer can also slash the strain force caused by either Ga-rich GaN epitaxial layer or AlN buffer layer. - Highlights: Black-Right-Pointing-Pointer The samples were grown by plasma-assisted molecular beam epitaxy. Black-Right-Pointing-Pointer The GaN epilayer was grown on sapphire substrate. Black-Right-Pointing-Pointer The samples were characterized by X-ray diffraction and atomic force microscopy. Black-Right-Pointing-Pointer The sample quality was improved by gradient buffer layer.

Preface: Special Topic on Atomic and Molecular Layer Processing: Deposition, Patterning, and Etching

Science.gov (United States)

Engstrom, James R.; Kummel, Andrew C.

2017-02-01

Thin film processing technologies that promise atomic and molecular scale control have received increasing interest in the past several years, as traditional methods for fabrication begin to reach their fundamental limits. Many of these technologies involve at their heart phenomena occurring at or near surfaces, including adsorption, gas-surface reactions, diffusion, desorption, and re-organization of near-surface layers. Moreover many of these phenomena involve not just reactions occurring under conditions of local thermodynamic equilibrium but also the action of energetic species including electrons, ions, and hyperthermal neutrals. There is a rich landscape of atomic and molecular scale interactions occurring in these systems that is still not well understood. In this Special Topic Issue of The Journal of Chemical Physics, we have collected recent representative examples of work that is directed at unraveling the mechanistic details concerning atomic and molecular layer processing, which will provide an important framework from which these fields can continue to develop. These studies range from the application of theory and computation to these systems to the use of powerful experimental probes, such as X-ray synchrotron radiation, probe microscopies, and photoelectron and infrared spectroscopies. The work presented here helps in identifying some of the major challenges and direct future activities in this exciting area of research involving atomic and molecular layer manipulation and fabrication.

Valley polarization in magnetically doped single-layer transition-metal dichalcogenides

KAUST Repository

Cheng, Yingchun; Zhang, Q. Y.; Schwingenschlö gl, Udo

2014-01-01

We demonstrate that valley polarization can be induced and controlled in semiconducting single-layer transition-metal dichalcogenides by magnetic doping, which is important for spintronics, valleytronics, and photonics devices. As an example, we

A review of molecular modelling of electric double layer capacitors.

Science.gov (United States)

Burt, Ryan; Birkett, Greg; Zhao, X S

2014-04-14

Electric double-layer capacitors are a family of electrochemical energy storage devices that offer a number of advantages, such as high power density and long cyclability. In recent years, research and development of electric double-layer capacitor technology has been growing rapidly, in response to the increasing demand for energy storage devices from emerging industries, such as hybrid and electric vehicles, renewable energy, and smart grid management. The past few years have witnessed a number of significant research breakthroughs in terms of novel electrodes, new electrolytes, and fabrication of devices, thanks to the discovery of innovative materials (e.g. graphene, carbide-derived carbon, and templated carbon) and the availability of advanced experimental and computational tools. However, some experimental observations could not be clearly understood and interpreted due to limitations of traditional theories, some of which were developed more than one hundred years ago. This has led to significant research efforts in computational simulation and modelling, aimed at developing new theories, or improving the existing ones to help interpret experimental results. This review article provides a summary of research progress in molecular modelling of the physical phenomena taking place in electric double-layer capacitors. An introduction to electric double-layer capacitors and their applications, alongside a brief description of electric double layer theories, is presented first. Second, molecular modelling of ion behaviours of various electrolytes interacting with electrodes under different conditions is reviewed. Finally, key conclusions and outlooks are given. Simulations on comparing electric double-layer structure at planar and porous electrode surfaces under equilibrium conditions have revealed significant structural differences between the two electrode types, and porous electrodes have been shown to store charge more efficiently. Accurate electrolyte and

The structures of passivated layers on the single crystals of austenitic steels

International Nuclear Information System (INIS)

Glownia, J.; Banas, J.

1995-01-01

In this work, the conditions of passivation and structure of passive layers on the single crystals in Fe-Cr18-Ni9 alloys are presented. The data shown the differences in the rate of passivation and in stability of passive layers on the (001), (011) and (111) surfaces. The passive layers are composed with the mixture of Fe +2 and Cr +3 oxides and hydroxides. On the (001) surface, the depth of passive layer is greater than on the (111) surface. (author)

Single-layer skull approximations perform well in transcranial direct current stimulation modeling

NARCIS (Netherlands)

Rampersad, S.M.; Stegeman, D.F.; Oostendorp, T.F.

2013-01-01

In modeling the effect of transcranial direct current stimulation, the representation of the skull is an important factor. In a spherical model, we compared a realistic skull modeling approach, in which the skull consisted of three isotropic layers, to anisotropic and isotropic single-layer

Single-layer closure of typhoid enteric perforation: Our experience ...

African Journals Online (AJOL)

Materials and Methods: We retrospectively studied the effects of single versus double layer intestinal closure after typhoid enteric perforation with peritonitis in 902 pediatric patients from September 2007 to April 2012. All the patients underwent laparotomy after resuscitation and antibiotic cover. The patients were divided ...

Molecular depth profiling of multi-layer systems with cluster ion sources

Energy Technology Data Exchange (ETDEWEB)

Cheng, Juan [Department of Chemistry, Penn State University, University Park, PA 16802 (United States); Winograd, Nicholas [Department of Chemistry, Penn State University, University Park, PA 16802 (United States)]. E-mail: nxw@psu.edu

2006-07-30

Cluster bombardment of molecular films has created new opportunities for SIMS research. To more quantitatively examine the interaction of cluster beams with organic materials, we have developed a reproducible platform consisting of a well-defined sugar film (trehalose) doped with peptides. Molecular depth profiles have been acquired with these systems using C{sub 60} {sup +} bombardment. In this study, we utilize this platform to determine the feasibility of examining buried interfaces for multi-layer systems. Using C{sub 60} {sup +} at 20 keV, several systems have been tested including Al/trehalose/Si, Al/trehalose/Al/Si, Ag/trehalose/Si and ice/trehalose/Si. The results show that there can be interactions between the layers during the bombardment process that prevent a simple interpretation of the depth profile. We find so far that the best results are obtained when the mass of the overlayer atoms is less than or nearly equal to the mass of the atoms in buried molecules. In general, these observations suggest that C{sub 60} {sup +} bombardment can be successfully applied to interface characterization of multi-layer systems if the systems are carefully chosen.

Transfer-free batch fabrication of single layer graphene transistors.

Science.gov (United States)

Levendorf, Mark P; Ruiz-Vargas, Carlos S; Garg, Shivank; Park, Jiwoong

2009-12-01

Full integration of graphene into conventional device circuitry would require a reproducible large scale graphene synthesis that is compatible with conventional thin film technology. We report the synthesis of large scale single layer graphene directly onto an evaporated copper film. A novel fabrication method was used to directly pattern these graphene sheets into devices by simply removing the underlying copper film. Raman and conductance measurements show that the mechanical and electrical properties of our single layer graphene are uniform over a large area, ( Ferrari, A. C. et al. Phys. Rev. Lett. 2006, 97, 187401.) which leads to a high device yield and successful fabrication of ultra long (>0.5 mm) graphene channels. Our graphene based devices present excellent electrical properties including a promising carrier mobility of 700 cm(2)/V.s and current saturation characteristics similar to devices based on exfoliated graphene ( Meric, I.. et al. Nat Nanotechnol. 2008, 3, 654-659).

Rapid growth of single-layer graphene on the insulating substrates by thermal CVD

Energy Technology Data Exchange (ETDEWEB)

Chen, C.Y. [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Dai, D.; Chen, G.X.; Yu, J.H. [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Nishimura, K. [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Advanced Nano-processing Engineering Lab, Mechanical Systems Engineering, Kogakuin University (Japan); Lin, C.-T. [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Jiang, N., E-mail: jiangnan@nimte.ac.cn [Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Zhan, Z.L., E-mail: zl_zhan@sohu.com [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China)

2015-08-15

Highlights: • A rapid thermal CVD process has been developed to directly grow graphene on the insulating substrates. • The treating time consumed is ≈25% compared to conventional CVD procedure. • Single-layer and few-layer graphene can be formed on quartz and SiO{sub 2}/Si substrates, respectively. • The formation of thinner graphene at the interface is due to the fast precipitation rate of carbon atoms during cooling. - Abstract: The advance of CVD technique to directly grow graphene on the insulating substrates is particularly significant for further device fabrication. As graphene is catalytically grown on metal foils, the degradation of the sample properties is unavoidable during transfer of graphene on the dielectric layer. Moreover, shortening the treatment time as possible, while achieving single-layer growth of graphene, is worthy to be investigated for promoting the efficiency of mass production. Here we performed a rapid heating/cooling process to grow graphene films directly on the insulating substrates by thermal CVD. The treating time consumed is ≈25% compared to conventional CVD procedure. In addition, we found that high-quality, single-layer graphene can be formed on quartz, but on SiO{sub 2}/Si substrate only few-layer graphene can be obtained. The pronounced substrate effect is attributed to the different dewetting behavior of Ni films on the both substrates at 950 °C.

Assembly of 1D nanofibers into a 2D bi-layered composite nanofibrous film with different functionalities at the two layers via layer-by-layer electrospinning.

Science.gov (United States)

Wang, Zijiao; Ma, Qianli; Dong, Xiangting; Li, Dan; Xi, Xue; Yu, Wensheng; Wang, Jinxian; Liu, Guixia

2016-12-21

A two-dimensional (2D) bi-layered composite nanofibrous film assembled by one-dimensional (1D) nanofibers with trifunctionality of electrical conduction, magnetism and photoluminescence has been successfully fabricated by layer-by-layer electrospinning. The composite film consists of a polyaniline (PANI)/Fe 3 O 4 nanoparticle (NP)/polyacrylonitrile (PAN) tuned electrical-magnetic bifunctional layer on one side and a Tb(TTA) 3 (TPPO) 2 /polyvinylpyrrolidone (PVP) photoluminescent layer on the other side, and the two layers are tightly combined face-to-face together into the novel bi-layered composite film of trifunctionality. The brand-new film has totally different characteristics at the double layers. The electrical conductivity and magnetism of the electrical-magnetic bifunctional layer can be, respectively, tunable via modulating the PANI and Fe 3 O 4 NP contents, and the highest electrical conductivity can reach up to the order of 10 -2 S cm -1 , and predominant intense green emission at 545 nm is obviously observed in the photoluminescent layer under the excitation of 357 nm single-wavelength ultraviolet light. More importantly, the luminescence intensity of the photoluminescent layer remains almost unaffected by the electrical-magnetic bifunctional layer because the photoluminescent materials have been successfully isolated from dark-colored PANI and Fe 3 O 4 NPs. By comparing with the counterpart single-layered composite nanofibrous film, it is found that the bi-layered composite nanofibrous film has better performance. The novel bi-layered composite nanofibrous film with trifunctionality has potential in the fields of nanodevices, molecular electronics and biomedicine. Furthermore, the design conception and fabrication technique for the bi-layered multifunctional film provide a new and facile strategy towards other films of multifunctionality.

Diffracted X-ray tracking: new system for single molecular detection with X-rays

CERN Document Server

Sasaki, Y C; Adachi, S; Suzuki, Y; Yagi, N

2001-01-01

We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements.

Diffracted X-ray tracking: new system for single molecular detection with X-rays

International Nuclear Information System (INIS)

Sasaki, Y.C.; Okumura, Y.; Adachi, S.; Suzuki, Y.; Yagi, N.

2001-01-01

We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements

Structural and electronic properties of single molecules and organic layers on surfaces

NARCIS (Netherlands)

Sotthewes, Kai

2016-01-01

Single molecules and organic layers on well-defined solid surfaces have attracted tremendous attention owing to their interesting physical and chemical properties. The ultimate utility of single molecules or self-assembled monolayers (SAMs) for potential applications is critically dependent on the

Thermoelectric Response in Single Quintuple Layer Bi2Te3

KAUST Repository

Sharma, S.; Schwingenschlö gl, Udo

2016-01-01

of single quintuple layer Bi2Te3 by considering both the electron and phonon transport. On the basis of first-principles density functional theory, the electronic and phononic contributions are calculated by solving Boltzmann transport equations

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...

High efficiency rubrene based inverted top-emission organic light emitting devices with a mixed single layer

International Nuclear Information System (INIS)

Wang, Zhaokui; Lou, Yanhui; Naka, Shigeki; Okada, Hiroyuki

2010-01-01

Inverted top-emission organic light emitting devices (TEOLEDs) with a mixed single layer by mixing of electron transport materials (PyPySPyPy and Alq 3 ), hole transport material (α-NPD) and dope material (rubrene) were investigated. Maximum power efficiency of 3.5 lm/W and maximum luminance of 7000 cd/m 2 were obtained by optimizing the mixing ratio of PyPySPyPy:Alq 3 :α-NPD:rubrene=25:50:25:1. Luminance and power efficiency of mixed single layer device were two times improved compared to bi-layer heterojunction device and tri-layer heterojunction device. Lifetime test also shows that the mixed single layer device exhibits longer operational lifetimes of 343 h, which is three times longer than the 109 h for tri-layer device, and two times longer than the 158 h for bi-layer device. In addition, the maximum luminance and power efficiency were obtained at 20,000 cd/m 2 and 7.5 lm/W, respectively, when a TPD layer of 45 nm was capped onto the top metal electrode.

Thermoelectric Response in Single Quintuple Layer Bi2Te3

KAUST Repository

Sharma, S.

2016-10-05

Because Bi2Te3 belongs to the most important thermoelectric materials, the successful exfoliation of a single quintuple layer has opened access to an interesting two-dimensional material. For this reason, we study the thermoelectric properties of single quintuple layer Bi2Te3 by considering both the electron and phonon transport. On the basis of first-principles density functional theory, the electronic and phononic contributions are calculated by solving Boltzmann transport equations. The dependence of the lattice thermal conductivity on the phonon mean free path is evaluated along with the contributions of the acoustic and optical branches. We find that the thermoelectric response is significantly better for p- than for n-doping. By optimizing the carrier concentration, at 300 K, a ZT value of 0.77 is achieved, which increases to 2.42 at 700 K.

Feasibility of X-ray analysis of multi-layer thin films at a single beam voltage

International Nuclear Information System (INIS)

Statham, P J

2010-01-01

Multi-layer analysis using electron beam excitation and X-ray spectrometry is a powerful tool for characterising layers down to 1 nm thickness and with typically 1 μm lateral resolution but does not always work. Most published applications have used WDS with many measurements at different beam voltages and considerable experience has been needed to choose lines and voltages particularly for complex multi-layer problems. A new objective mathematical approach is described which demonstrates whether X-ray analysis can obtain reliable results for an arbitrary multi-layer problem. A new algorithm embodied in 'ThinFilmID' software produces a single plot that shows feasibility of achieving results with a single EDS spectrum and suggests the optimal beam voltage. Synthesis of EDS spectra allows the precision in results to be estimated and acquisition conditions modified before wasting valuable instrument time. Thus, practicality of multi-layer thin film analysis at a single beam voltage can now be established without the extensive experimentation that was previously required by a microanalysis expert. Examples are shown where the algorithm discovers viable single-voltage conditions for applications that experts previously thought could only be addressed using measurements at more than one beam voltage.

Charge transfer at junctions of a single layer of graphene and a metallic single walled carbon nanotube.

Science.gov (United States)

Paulus, Geraldine L C; Wang, Qing Hua; Ulissi, Zachary W; McNicholas, Thomas P; Vijayaraghavan, Aravind; Shih, Chih-Jen; Jin, Zhong; Strano, Michael S

2013-06-10

Junctions between a single walled carbon nanotube (SWNT) and a monolayer of graphene are fabricated and studied for the first time. A single layer graphene (SLG) sheet grown by chemical vapor deposition (CVD) is transferred onto a SiO₂/Si wafer with aligned CVD-grown SWNTs. Raman spectroscopy is used to identify metallic-SWNT/SLG junctions, and a method for spectroscopic deconvolution of the overlapping G peaks of the SWNT and the SLG is reported, making use of the polarization dependence of the SWNT. A comparison of the Raman peak positions and intensities of the individual SWNT and graphene to those of the SWNT-graphene junction indicates an electron transfer of 1.12 × 10¹³ cm⁻² from the SWNT to the graphene. This direction of charge transfer is in agreement with the work functions of the SWNT and graphene. The compression of the SWNT by the graphene increases the broadening of the radial breathing mode (RBM) peak from 3.6 ± 0.3 to 4.6 ± 0.5 cm⁻¹ and of the G peak from 13 ± 1 to 18 ± 1 cm⁻¹, in reasonable agreement with molecular dynamics simulations. However, the RBM and G peak position shifts are primarily due to charge transfer with minimal contributions from strain. With this method, the ability to dope graphene with nanometer resolution is demonstrated. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient

NARCIS (Netherlands)

Dhont, J.K.G.; Briels, Willem J.

2008-01-01

The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer thickness is calculated and compared to experiments. The calculation is based on an extension of the Debye-Hückel theory for the double-layer structure that

Composite Beam Cross-Section Analysis by a Single High-Order Element Layer

DEFF Research Database (Denmark)

Couturier, Philippe; Krenk, Steen

2015-01-01

An analysis procedure of general cross-section properties is presented. The formulation is based on the stress-strain states in the classic six equilibrium modes of a beam by considering a finite thickness slice modelled by a single layer of 3D finite elements. The theory is illustrated by applic......An analysis procedure of general cross-section properties is presented. The formulation is based on the stress-strain states in the classic six equilibrium modes of a beam by considering a finite thickness slice modelled by a single layer of 3D finite elements. The theory is illustrated...

Pressure estimation from single-snapshot tomographic PIV in a turbulent boundary layer

NARCIS (Netherlands)

Schneiders, J.F.G.; Pröbsting, S.; Dwight, R.P.; Van Oudheusden, B.W.; Scarano, F.

2016-01-01

A method is proposed to determine the instantaneous pressure field from a single tomographic PIV velocity snapshot and is applied to a flat-plate turbulent boundary layer. The main concept behind the single-snapshot pressure evaluation method is to approximate the flow acceleration using the

Magneto-transport in the zero-energy Landau level of single-layer and bilayer graphene

International Nuclear Information System (INIS)

Zeitler, U; Giesbers, A J M; Elferen, H J van; Kurganova, E V; McCollam, A; Maan, J C

2011-01-01

We present recent low-temperature magnetotransport experiments on single-layer and bilayer graphene in high magnetic field up to 33 T. In single layer graphene the fourfold degeneracy of the zero-energy Landau level is lifted by a gap opening at filling factor ν = 0. In bilayer graphene, we observe a partial lifting of the degeneracy of the eightfold degenerate zero-energy Landau level.

A comprehensive analysis about thermal conductivity of multi-layer graphene with N-doping, -CH3 group, and single vacancy

Science.gov (United States)

Si, Chao; Li, Liang; Lu, Gui; Cao, Bing-Yang; Wang, Xiao-Dong; Fan, Zhen; Feng, Zhi-Hai

2018-04-01

Graphene has received great attention due to its fascinating thermal properties. The inevitable defects in graphene, such as single vacancy, doping, and functional group, greatly affect the thermal conductivity. The sole effect of these defects on the thermal conductivity has been widely studied, while the mechanisms of the coupling effects are still open. We studied the combined effect of defects with N-doping, the -CH3 group, and single vacancy on the thermal conductivity of multi-layer graphene at various temperatures using equilibrium molecular dynamics with the Green-Kubo theory. The Taguchi orthogonal algorithm is used to evaluate the sensitivity of N-doping, the -CH3 group, and single vacancy. Sole factor analysis shows that the effect of single vacancy on thermal conductivity is always the strongest at 300 K, 700 K, and 1500 K. However, for the graphene with three defects, the single vacancy defect only plays a significant role in the thermal conductivity modification at 300 K and 700 K, while the -CH3 group dominates the thermal conductivity reduction at 1500 K. The phonon dispersion is calculated using a spectral energy density approach to explain such a temperature dependence. The combined effect of the three defects further decreases the thermal conductivity compared to any sole defect at both 300 K and 700 K. The weaker single vacancy effect is due to the stronger Umklapp scattering at 1500 K, at which the combined effect seriously covers almost all the energy gaps in the phonon dispersion relation, significantly reducing the phonon lifetimes. Therefore, the temperature dependence only appears on the multi-layer graphene with combined defects.

Tunneling spin injection into single layer graphene.

Science.gov (United States)

Han, Wei; Pi, K; McCreary, K M; Li, Yan; Wong, Jared J I; Swartz, A G; Kawakami, R K

2010-10-15

We achieve tunneling spin injection from Co into single layer graphene (SLG) using TiO₂ seeded MgO barriers. A nonlocal magnetoresistance (ΔR(NL)) of 130  Ω is observed at room temperature, which is the largest value observed in any material. Investigating ΔR(NL) vs SLG conductivity from the transparent to the tunneling contact regimes demonstrates the contrasting behaviors predicted by the drift-diffusion theory of spin transport. Furthermore, tunnel barriers reduce the contact-induced spin relaxation and are therefore important for future investigations of spin relaxation in graphene.

Application of evolution strategy algorithm for optimization of a single-layer sound absorber

Directory of Open Access Journals (Sweden)

Morteza Gholamipoor

2014-12-01

Full Text Available Depending on different design parameters and limitations, optimization of sound absorbers has always been a challenge in the field of acoustic engineering. Various methods of optimization have evolved in the past decades with innovative method of evolution strategy gaining more attention in the recent years. Based on their simplicity and straightforward mathematical representations, single-layer absorbers have been widely used in both engineering and industrial applications and an optimized design for these absorbers has become vital. In the present study, the method of evolution strategy algorithm is used for optimization of a single-layer absorber at both a particular frequency and an arbitrary frequency band. Results of the optimization have been compared against different methods of genetic algorithm and penalty functions which are proved to be favorable in both effectiveness and accuracy. Finally, a single-layer absorber is optimized in a desired range of frequencies that is the main goal of an industrial and engineering optimization process.

CdTe as a passivating layer in CdTe/HgCdTe heterostructures

International Nuclear Information System (INIS)

Virt, I. S.; Kurilo, I. V.; Rudyi, I. A.; Sizov, F. F.; Mikhailov, N. N.; Smirnov, R. N.

2008-01-01

CdTe/Hg 1-x Cd x Te heterostructures are studied. In the structures, CdTe is used as a passivating layer deposited as a polycrystal or single crystal on a single-crystal Hg 1-x Cd x Te film. The film and a passivating layer were obtained in a single technological process of molecular beam epitaxy. The structure of passivating layers was studied by reflection high-energy electron diffraction, and the effect of the structure of the passivating layer on the properties of the active layer was studied by X-ray diffractometry. Mechanical properties of heterostructures were studied by the microhardness method. Electrical and photoelectrical parameters of the Hg 1-x Cd x Te films are reported.

Understanding Molecular Interactions within Chemically Selective Layered Polymer Assemblies

Energy Technology Data Exchange (ETDEWEB)

Gary J. Blanchard

2009-06-30

This work focuses on two broad issues. These are (1) the molecular origin of the chemical selectivity achieved with ultrathin polymer multilayers, and (2) how the viscoelastic properties of the polymer layers are affected by exposure to solvent and analytes. These issues are inter-related, and to understand them we need to design experiments that probe both the energetic and kinetic aspects of interfacial adsorption processes. This project focuses on controling the chemical structure, thickness, morphology and sequential ordering of polymer layers bound to interfaces using maleimide-vinyl ether and closely related alternating copolymerization chemistry and efficient covalent cross-linking reactions that allow for layer-by-layer polymer deposition. This chemistry has been developed during the funding cycle of this Grant. We have measure the equilibrium constants for interactions between specific layers within the polymer interfaces and size-controlled, surface-functionalized gold nanoparticles. The ability to control both size and functionality of gold nanoparticle model analytes allows us to evaluate the average “pore size” that characterizes our polymer films. We have measured the “bulk” viscosity and shear modulus of the ultrathin polymer films as a function of solvent overlayer identity using quartz crystal microbalance complex impedance measurements. We have measured microscopic viscosity at specific locations within the layered polymer interfaces with time-resolved fluorescence lifetime and depolarization techniques. We combine polymer, cross-linking and nanoparticle synthetic expertise with a host of characterization techniques, including QCM gravimetry and complex impedance analysis, steady state and time-resolved spectroscopies.

Controlling the formation of wrinkles in a single layer graphene sheet subjected to in-plane shear

KAUST Repository

Duan, Wen Hui

2011-08-01

The initiation and development of wrinkles in a single layer graphene sheet subjected to in-plane shear displacements are investigated. The dependence of the wavelength and amplitude of wrinkles on the applied shear displacements is explicitly obtained with molecular mechanics simulations. A continuum model is developed for the characteristics of the wrinkles which show that the wrinkle wavelength decreases with an increase in shear loading, while the amplitude of the wrinkles is found to initially increase and then become stable. The propagation and growth process of the wrinkles in the sheet is elucidated. It is expected that the research could promote applications of graphenes in the transportation of biological systems, separation science, and the development of the fluidic electronics. © 2011 Elsevier Ltd. All rights reserved.

Molecular single photon double K-shell ionization

International Nuclear Information System (INIS)

Penent, F.; Nakano, M.; Tashiro, M.; Grozdanov, T.P.; Žitnik, M.; Carniato, S.; Selles, P.; Andric, L.; Lablanquie, P.; Palaudoux, J.; Shigemasa, E.; Iwayama, H.; Hikosaka, Y.; Soejima, K.; Suzuki, I.H.; Kouchi, N.; Ito, K.

2014-01-01

We have studied single photon double K-shell ionization of small molecules (N 2 , CO, C 2 H 2n (n = 1–3), …) and the Auger decay of the resulting double core hole (DCH) molecular ions thanks to multi-electron coincidence spectroscopy using a magnetic bottle time-of-flight spectrometer. The relative cross-sections for single-site (K −2 ) and two-site (K −1 K −1 ) double K-shell ionization with respect to single K-shell (K −1 ) ionization have been measured that gives important information on the mechanisms of single photon double ionization. The spectroscopy of two-site (K −1 K −1 ) DCH states in the C 2 H 2n (n = 1–3) series shows important chemical shifts due to a strong dependence on the C-C bond length. In addition, the complete cascade Auger decay following single site (K −2 ) ionization has been obtained

Associate host in single-layer co-host polymer electrophosphorescent devices

International Nuclear Information System (INIS)

Wang Yuanmin; Teng Feng; Feng Bin; Wang Yongsheng; Xu Xurong

2006-01-01

The definition and role of 'host' in polymer LED materials are studied in the present work. 'Primary host' and 'associate host' have been proposed and the rules of how to select an associate host are reported. Based on our experiments and the analysis of the energy scheme of the devices, we suggest that the values of the lowest unoccupied molecular orbital (LUMO) and highest occupied molecular orbital (HOMO) are critical determinant in selecting a suitable associate host. On one hand, the associate host should be a hole-blocking material. This can confine the excitons in the active layer. On the other hand, the associate host should have a suitable LUMO that is convenient for electrons to transport

Study on electrical defects level in single layer two-dimensional Ta2O5

Science.gov (United States)

Dahai, Li; Xiongfei, Song; Linfeng, Hu; Ziyi, Wang; Rongjun, Zhang; Liangyao, Chen; David, Wei Zhang; Peng, Zhou

2016-04-01

Two-dimensional atomic-layered material is a recent research focus, and single layer Ta2O5 used as gate dielectric in field-effect transistors is obtained via assemblies of Ta2O5 nanosheets. However, the electrical performance is seriously affected by electronic defects existing in Ta2O5. Therefore, spectroscopic ellipsometry is used to calculate the transition energies and corresponding probabilities for two different charged oxygen vacancies, whose existence is revealed by x-ray photoelectron spectroscopy analysis. Spectroscopic ellipsometry fitting also calculates the thickness of single layer Ta2O5, exhibiting good agreement with atomic force microscopy measurement. Nondestructive and noncontact spectroscopic ellipsometry is appropriate for detecting the electrical defects level of single layer Ta2O5. Project supported by the National Natural Science Foundation of China (Grant Nos. 11174058 and 61376093), the Fund from Shanghai Municipal Science and Technology Commission (Grant No. 13QA1400400), the National Science and Technology Major Project, China (Grant No. 2011ZX02707), and the Innovation Program of Shanghai Municipal Education Commission (Grant No. 12ZZ010).

Corrosion behaviour in saline environments of single-layer titanium and aluminium coatings, and of Ti/Al alternated multi-layers elaborated by a multi-beam PVD technique

International Nuclear Information System (INIS)

Merati, Abdenacer

1994-01-01

This research thesis reports the characterization of anti-corrosion titanium and aluminium coatings deposited on a 35CD4 steel under the form of mono-metallic layers or alternated Ti/Al multi-layers, and obtained by a multibeam PVD technique. The influence of different parameters is studied: single-layer thickness (5, 15 or 30 micro-metres), multi-layer distribution (5 to 6) and substrate (smooth or threaded). Layer nature and microstructure are studied by optical microscopy and scanning electron microscopy (SEM), as well as corrosion toughness in aqueous saline environments. Coated threaded samples have been studied after tightening tests. It appears that titanium layers are denser and more uniform than aluminium layers, and that multi-layer coatings provide a better protection than single-layer coatings. The best behaviour is obtained when titanium is in contact with steel, and aluminium is the outer layer in contact with the corroding environment [fr

Observing the morphology of single-layered embedded silicon nanocrystals by using temperature-stable TEM membranes

Directory of Open Access Journals (Sweden)

Sebastian Gutsch

2015-04-01

Full Text Available We use high-temperature-stable silicon nitride membranes to investigate single layers of silicon nanocrystal ensembles by energy filtered transmission electron microscopy. The silicon nanocrystals are prepared from the precipitation of a silicon-rich oxynitride layer sandwiched between two SiO2 diffusion barriers and subjected to a high-temperature annealing. We find that such single layers are very sensitive to the annealing parameters and may lead to a significant loss of excess silicon. In addition, these ultrathin layers suffer from significant electron beam damage that needs to be minimized in order to image the pristine sample morphology. Finally we demonstrate how the silicon nanocrystal size distribution develops from a broad to a narrow log-normal distribution, when the initial precipitation layer thickness and stoichiometry are below a critical value.

Growth and characterization of molecular beam epitaxial GaAs layers on porous silicon

Science.gov (United States)

Lin, T. L.; Liu, J. K.; Sadwick, L.; Wang, K. L.; Kao, Y. C.

1987-01-01

GaAs layers have been grown on porous silicon (PS) substrates with good crystallinity by molecular beam epitaxy. In spite of the surface irregularity of PS substrates, no surface morphology deterioration was observed on epitaxial GaAs overlayers. A 10-percent Rutherford backscattering spectroscopy minimum channeling yield for GaAs-on-PS layers as compared to 16 percent for GaAs-on-Si layers grown under the same condition indicates a possible improvement of crystallinity when GaAs is grown on PS. Transmission electron microscopy reveals that the dominant defects in the GaAs-on-PS layers are microtwins and stacking faults, which originate from the GaAs/PS interface. GaAs is found to penetrate into the PS layers. n-type GaAs/p-type PS heterojunction diodes were fabricated with good rectifying characteristics.

Conformational Smear Characterization and Binning of Single-Molecule Conductance Measurements for Enhanced Molecular Recognition.

Science.gov (United States)

Korshoj, Lee E; Afsari, Sepideh; Chatterjee, Anushree; Nagpal, Prashant

2017-11-01

Electronic conduction or charge transport through single molecules depends primarily on molecular structure and anchoring groups and forms the basis for a wide range of studies from molecular electronics to DNA sequencing. Several high-throughput nanoelectronic methods such as mechanical break junctions, nanopores, conductive atomic force microscopy, scanning tunneling break junctions, and static nanoscale electrodes are often used for measuring single-molecule conductance. In these measurements, "smearing" due to conformational changes and other entropic factors leads to large variances in the observed molecular conductance, especially in individual measurements. Here, we show a method for characterizing smear in single-molecule conductance measurements and demonstrate how binning measurements according to smear can significantly enhance the use of individual conductance measurements for molecular recognition. Using quantum point contact measurements on single nucleotides within DNA macromolecules, we demonstrate that the distance over which molecular junctions are maintained is a measure of smear, and the resulting variance in unbiased single measurements depends on this smear parameter. Our ability to identify individual DNA nucleotides at 20× coverage increases from 81.3% accuracy without smear analysis to 93.9% with smear characterization and binning (SCRIB). Furthermore, merely 7 conductance measurements (7× coverage) are needed to achieve 97.8% accuracy for DNA nucleotide recognition when only low molecular smear measurements are used, which represents a significant improvement over contemporary sequencing methods. These results have important implications in a broad range of molecular electronics applications from designing robust molecular switches to nanoelectronic DNA sequencing.

Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment

Science.gov (United States)

Shao, Yangfan; Pang, Rui; Pan, Hui; Shi, Xingqiang

2018-03-01

The interfaces between organic molecules and magnetic metals have gained increasing interest for both fundamental reasons and applications. Among them, the C60/layered antiferromagnetic (AFM) interfaces have been studied only for C60 bonded to the outermost ferromagnetic layer [S. L. Kawahara et al., Nano Lett. 12, 4558 (2012) and D. Li et al., Phys. Rev. B 93, 085425 (2016)]. Here, via density functional theory calculations combined with evidence from the literature, we demonstrate that C60 adsorption can reconstruct the layered-AFM Cr(001) surface at elevated annealing temperatures so that C60 bonds to both the outermost and the subsurface Cr layers in opposite spin directions. Surface reconstruction drastically changes the adsorbed molecule spintronic properties: (1) the spin-split p-d hybridization involves multi-orbitals of C60 and top two layers of Cr with opposite spin-polarization, (2) the subsurface Cr atom dominates the C60 electronic properties, and (3) the reconstruction induces a large magnetic moment of 0.58 μB in C60 as a synergistic effect of the top two Cr layers. The induced magnetic moment in C60 can be explained by the magnetic direct-exchange mechanism, which can be generalized to other C60/magnetic metal systems. Understanding these complex hybridization behaviors is a crucial step for molecular spintronic applications.

Modeling of 1-D nitrate transport in single layer soils | Dike | Journal ...

African Journals Online (AJOL)

The transport of nitrate in laboratory single soil columns of sand, laterite and clay were investigated after 21 days. The 1-D contaminant transport model by Notodarmojo et al (1991) for single layer soils were calibrated and verified using field data collected from a refuse dump site at avu, owerri, Imo state. The experimental ...

Identification of excitons, trions and biexcitons in single-layer WS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Plechinger, Gerd; Nagler, Philipp; Kraus, Julia; Paradiso, Nicola; Strunk, Christoph; Schueller, Christian; Korn, Tobias [Institut fuer Experimentelle und Angewandte Physik, Universitaet Regensburg, 93040, Regensburg (Germany)

2015-08-15

Single-layer WS{sub 2} is a direct-gap semiconductor showing strong excitonic photoluminescence features in the visible spectral range. Here, we present temperature-dependent photoluminescence measurements on mechanically exfoliated single-layer WS{sub 2}, revealing the existence of neutral and charged excitons at low temperatures as well as at room temperature. By applying a gate voltage, we can electrically control the ratio of excitons and trions and assert a residual n-type doping of our samples. At high excitation densities and low temperatures, an additional peak at energies below the trion dominates the photoluminescence, which we identify as biexciton emission. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Quantum Dot Platform for Single-Cell Molecular Profiling

Science.gov (United States)

Zrazhevskiy, Pavel S.

In-depth understanding of the nature of cell physiology and ability to diagnose and control the progression of pathological processes heavily rely on untangling the complexity of intracellular molecular mechanisms and pathways. Therefore, comprehensive molecular profiling of individual cells within the context of their natural tissue or cell culture microenvironment is essential. In principle, this goal can be achieved by tagging each molecular target with a unique reporter probe and detecting its localization with high sensitivity at sub-cellular resolution, primarily via microscopy-based imaging. Yet, neither widely used conventional methods nor more advanced nanoparticle-based techniques have been able to address this task up to date. High multiplexing potential of fluorescent probes is heavily restrained by the inability to uniquely match probes with corresponding molecular targets. This issue is especially relevant for quantum dot probes---while simultaneous spectral imaging of up to 10 different probes is possible, only few can be used concurrently for staining with existing methods. To fully utilize multiplexing potential of quantum dots, it is necessary to design a new staining platform featuring unique assignment of each target to a corresponding quantum dot probe. This dissertation presents two complementary versatile approaches towards achieving comprehensive single-cell molecular profiling and describes engineering of quantum dot probes specifically tailored for each staining method. Analysis of expanded molecular profiles is achieved through augmenting parallel multiplexing capacity with performing several staining cycles on the same specimen in sequential manner. In contrast to other methods utilizing quantum dots or other nanoparticles, which often involve sophisticated probe synthesis, the platform technology presented here takes advantage of simple covalent bioconjugation and non-covalent self-assembly mechanisms for straightforward probe

Roles of N-methyl-d-aspartate receptors during the sensory stimulation-evoked field potential responses in mouse cerebellar cortical molecular layer.

Science.gov (United States)

Xu, Yin-Hua; Zhang, Guang-Jian; Zhao, Jing-Tong; Chu, Chun-Ping; Li, Yu-Zi; Qiu, De-Lai

2017-11-01

The functions of N-methyl-d-aspartate receptors (NMDARs) in cerebellar cortex have been widely studied under in vitro condition, but their roles during the sensory stimulation-evoked responses in the cerebellar cortical molecular layer in living animals are currently unclear. We here investigated the roles of NMDARs during the air-puff stimulation on ipsilateral whisker pad-evoked field potential responses in cerebellar cortical molecular layer in urethane-anesthetized mice by electrophysiological recording and pharmacological methods. Our results showed that cerebellar surface administration of NMDA induced a dose-dependent decrease in amplitude of the facial stimulation-evoked inhibitory responses (P1) in the molecular layer, accompanied with decreases in decay time, half-width and area under curve (AUC) of P1. The IC 50 of NMDA induced inhibition in amplitude of P1 was 46.5μM. In addition, application of NMDA induced significant increases in the decay time, half-width and AUC values of the facial stimulation-evoked excitatory responses (N1) in the molecular layer. Application of an NMDAR blocker, D-APV (250μM) abolished the facial stimulation-evoked P1 in the molecular layer. These results suggested that NMDARs play a critical role during the sensory information processing in cerebellar cortical molecular layer in vivo in mice. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular beam epitaxy of single crystal colossal magnetoresistive material

International Nuclear Information System (INIS)

Eckstein, J.N.; Bozovic, I.; Rzchowski, M.; O'Donnell, J.; Hinaus, B.; Onellion, M.

1996-01-01

The authors have grown films of (LaSr)MnO 3 (LSMO) and (LaCa)MnO 3 (LCMO) using atomic layer-by-layer molecular beam epitaxy (ALL-MBE). Depending on growth conditions, substrate lattice constant and the exact cation stoichiometry, the films are either pseudomorphic or strain relaxed. The pseudomorphic films show atomically flat surfaces, with a unit cell terrace structure that is a replica of that observed on the slightly vicinal substrates, while the strain relaxed films show bumpy surfaces correlated with a dislocation network. All films show tetragonal structure and exhibit anisotropic magnetoresistance, with a low field response, (1/R)(dR/dH) as large as 5 T -1

Atomic-scale structure of single-layer MoS2 nanoclusters

DEFF Research Database (Denmark)

Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.

2000-01-01

We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...

Towards single step production of multi-layer inorganic hollow fibers

NARCIS (Netherlands)

de Jong, J.; Benes, Nieck Edwin; Koops, G.H.; Wessling, Matthias

2004-01-01

In this work we propose a generic synthesis route for the single step production of multi-layer inorganic hollow fibers, based on polymer wet spinning combined with a heat treatment. With this new method, membranes with a high surface area per unit volume ratio can be produced, while production time

Single-layer graphene on silicon nitride micromembrane resonators

Energy Technology Data Exchange (ETDEWEB)

Schmid, Silvan; Guillermo Villanueva, Luis; Amato, Bartolo; Boisen, Anja [Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech, Building 345 East, 2800 Kongens Lyngby (Denmark); Bagci, Tolga; Zeuthen, Emil; Sørensen, Anders S.; Usami, Koji; Polzik, Eugene S. [QUANTOP, Niels Bohr Institute, University of Copenhagen, 2100 Copenhagen (Denmark); Taylor, Jacob M. [Joint Quantum Institute/NIST, College Park, Maryland 20899 (United States); Herring, Patrick K.; Cassidy, Maja C. [School of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts 02138 (United States); Marcus, Charles M. [Center for Quantum Devices, Niels Bohr Institute, University of Copenhagen, 2100 Copenhagen (Denmark); Cheol Shin, Yong; Kong, Jing [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2014-02-07

Due to their low mass, high quality factor, and good optical properties, silicon nitride (SiN) micromembrane resonators are widely used in force and mass sensing applications, particularly in optomechanics. The metallization of such membranes would enable an electronic integration with the prospect for exciting new devices, such as optoelectromechanical transducers. Here, we add a single-layer graphene on SiN micromembranes and compare electromechanical coupling and mechanical properties to bare dielectric membranes and to membranes metallized with an aluminium layer. The electrostatic coupling of graphene covered membranes is found to be equal to a perfectly conductive membrane, without significantly adding mass, decreasing the superior mechanical quality factor or affecting the optical properties of pure SiN micromembranes. The concept of graphene-SiN resonators allows a broad range of new experiments both in applied physics and fundamental basic research, e.g., for the mechanical, electrical, or optical characterization of graphene.

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.

Supramolecular architectures in layer-by-layer films of single-walled carbon nanotubes, chitosan and cobalt (II) phthalocyanine

International Nuclear Information System (INIS)

Sousa Luz, Roberto A. de; Martins, Marccus Victor A.; Magalhaes, Janildo L.; Siqueira, Jose R.; Zucolotto, Valtencir; Oliveira, Osvaldo N.; Crespilho, Frank N.; Cantanhede da Silva, Welter

2011-01-01

Highlights: → Platforms were assembled from cobalt phthalocyanine, chitosan and carbon nanotubes. → Supramolecular organization of multilayer films was investigated. → Increase of the supramolecular charge transfer after carbon nanotube incorporation. → Functional modulation based on constitutional dynamic chemistry was achieved. - Abstract: The building of supramolecular structures in nanostructured films has been exploited for a number of applications, with the film properties being controlled at the molecular level. In this study, we report on the layer-by-layer (LbL) films combining cobalt (II) tetrasulfonated phthalocyanine (CoTsPc), chitosan (Chit) and single-walled carbon nanotubes (SWCNTs) in two architectures, {Chit/CoTsPc} n and {Chit-SWCNTs/CoTsPc} n (n = 1-10). The physicochemical properties of the films were evaluated and the multilayer formation was monitored with microgravimetry measurements using a quartz microbalance crystal and an electrochemical technique. According to atomic force microscopy (AFM) results, the incorporation of SWCNTs caused the films to be thicker, with a thickness ca. 3 fold that of a 2-bilayer LbL film with no SWCNTs. Cyclic voltammetry revealed a quasi-reversible, one electron process with E 1/2 at -0.65 V (vs SCE) and an irreversible oxidation process at 0.80 V in a physiological medium for both systems, which can be attributed to [CoTsPc(I)] 5- /[CoTsPc(II)] 4- and CoTsPc(II) to CoTsPc(III), respectively. The {Chit-SWCNTs/CoTsPc} 5 multilayer film exhibited an increased faradaic current, probably associated with the supramolecular charge transfer interaction between cobalt phthalocyanine and SWCNTs. The results demonstrate that an intimate contact at the supramolecular level between functional SWCNTs immobilized into biocompatible chitosan polymer and CoTsPc improves the electron flow from CoTsPc redox sites to the electrode surface.

Study of energy transfer in single and multi-emissive layer using Gaussian peak fitting

International Nuclear Information System (INIS)

Yoon, Ju-An; Kim, You-Hyun; Kim, Nam Ho; Moon, Chang-Bum; He, Gufeng; Kim, Woo Young

2014-01-01

White organic light-emitting diodes(WOLEDs) were fabricated with the device structure of ITO(1800 Å)/NPB(700 Å)/emissive layer(300 Å)/Bphen(300 Å)/Liq(20 Å)/Al(1200 Å) using the two complementary colors method. Then, we investigated their electrical and optical characteristics to determine luminous efficiency, luminance and color coordinates of single, double, triple and quadruple emissive layered-WOLED. Thickness of emissive layer was fixed at 30 Å, and DPASN and BAlq were used for blue emissive host material and DCJTB was added as red dopant in the emissive layer. Then, we investigated the performance of OLEDs via its charge blocking structure and its different emissive region with emissive layers. Luminous efficiency of 5.30 cd/A at 50 mA/cm 2 of current density is obtained in WOLED device with double emissive layer of DPASN:DCJTB-0.1% (150 Å)/BAlq:DCJTB-0.1% (150 Å) and these are 80% higher than WOLED device with single emissive layer of DPASN:DCJTB-0.1% (300 Å). - Highlights: • White OLEDs with multiple-emissive layer were fabricated using p- and n-type emissive materials. • We fabricated WOLEDs only using a small quantity of fluorescent red dopant materials. • The spectroscopic analysis using multi-peak fits with a Gaussian function. • The explain electroluminescence spectra of white OLEDs with the multiple-emissive layer. • We examine changes in the number of emissive layer about white OLEDs performance

Emergence of charge density waves and a pseudogap in single-layer TiTe2.

Science.gov (United States)

Chen, P; Pai, Woei Wu; Chan, Y-H; Takayama, A; Xu, C-Z; Karn, A; Hasegawa, S; Chou, M Y; Mo, S-K; Fedorov, A-V; Chiang, T-C

2017-09-11

Two-dimensional materials constitute a promising platform for developing nanoscale devices and systems. Their physical properties can be very different from those of the corresponding three-dimensional materials because of extreme quantum confinement and dimensional reduction. Here we report a study of TiTe 2 from the single-layer to the bulk limit. Using angle-resolved photoemission spectroscopy and scanning tunneling microscopy and spectroscopy, we observed the emergence of a (2 × 2) charge density wave order in single-layer TiTe 2 with a transition temperature of 92 ± 3 K. Also observed was a pseudogap of about 28 meV at the Fermi level at 4.2 K. Surprisingly, no charge density wave transitions were observed in two-layer and multi-layer TiTe 2 , despite the quasi-two-dimensional nature of the material in the bulk. The unique charge density wave phenomenon in the single layer raises intriguing questions that challenge the prevailing thinking about the mechanisms of charge density wave formation.Due to reduced dimensionality, the properties of 2D materials are often different from their 3D counterparts. Here, the authors identify the emergence of a unique charge density wave (CDW) order in monolayer TiTe 2 that challenges the current understanding of CDW formation.

Generation of organized germ layers from a single mouse embryonic stem cell.

Science.gov (United States)

Poh, Yeh-Chuin; Chen, Junwei; Hong, Ying; Yi, Haiying; Zhang, Shuang; Chen, Junjian; Wu, Douglas C; Wang, Lili; Jia, Qiong; Singh, Rishi; Yao, Wenting; Tan, Youhua; Tajik, Arash; Tanaka, Tetsuya S; Wang, Ning

2014-05-30

Mammalian inner cell mass cells undergo lineage-specific differentiation into germ layers of endoderm, mesoderm and ectoderm during gastrulation. It has been a long-standing challenge in developmental biology to replicate these organized germ layer patterns in culture. Here we present a method of generating organized germ layers from a single mouse embryonic stem cell cultured in a soft fibrin matrix. Spatial organization of germ layers is regulated by cortical tension of the colony, matrix dimensionality and softness, and cell-cell adhesion. Remarkably, anchorage of the embryoid colony from the 3D matrix to collagen-1-coated 2D substrates of ~1 kPa results in self-organization of all three germ layers: ectoderm on the outside layer, mesoderm in the middle and endoderm at the centre of the colony, reminiscent of generalized gastrulating chordate embryos. These results suggest that mechanical forces via cell-matrix and cell-cell interactions are crucial in spatial organization of germ layers during mammalian gastrulation. This new in vitro method could be used to gain insights on the mechanisms responsible for the regulation of germ layer formation.

Exposure buildup factors for a cobalt-60 point isotropic source for single and two layer slabs

International Nuclear Information System (INIS)

Chakarova, R.

1992-01-01

Exposure buildup factors for point isotropic cobalt-60 sources are calculated by the Monte Carlo method with statistical errors ranging from 1.5 to 7% for 1-5 mean free paths (mfp) thick water and iron single slabs and for 1 and 2 mfp iron layers followed by water layers 1-5 mfp thick. The computations take into account Compton scattering. The Monte Carlo data for single slab geometries are approximated by Geometric Progression formula. Kalos's formula using the calculated single slab buildup factors may be applied to reproduce the data for two-layered slabs. The presented results and discussion may help when choosing the manner in which the radiation field gamma irradiation units will be described. (author)

Loading direction-dependent shear behavior at different temperatures of single-layer chiral graphene sheets

Science.gov (United States)

Zhao, Yang; Dong, Shuhong; Yu, Peishi; Zhao, Junhua

2018-06-01

The loading direction-dependent shear behavior of single-layer chiral graphene sheets at different temperatures is studied by molecular dynamics (MD) simulations. Our results show that the shear properties (such as shear stress-strain curves, buckling strains, and failure strains) of chiral graphene sheets strongly depend on the loading direction due to the structural asymmetry. The maximum values of both the critical buckling shear strain and the failure strain under positive shear deformation can be around 1.4 times higher than those under negative shear deformation. For a given chiral graphene sheet, both its failure strain and failure stress decrease with increasing temperature. In particular, the amplitude to wavelength ratio of wrinkles for different chiral graphene sheets under shear deformation using present MD simulations agrees well with that from the existing theory. These findings provide physical insights into the origins of the loading direction-dependent shear behavior of chiral graphene sheets and their potential applications in nanodevices.

Single particle and molecular assembly analysis of polyribosomes by single- and double-tilt cryo electron tomography

Energy Technology Data Exchange (ETDEWEB)

Myasnikov, Alexander G. [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France); Afonina, Zhanna A. [Institute of Protein Research, Russian Academy of Sciences, 142290 Pushchino, Moscow Region (Russian Federation); Klaholz, Bruno P., E-mail: klaholz@igbmc.fr [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France)

2013-03-15

Cryo electron tomography (cryo-ET) can provide cellular and molecular structural information on various biological samples. However, the detailed interpretation of tomograms reconstructed from single-tilt data tends to suffer from low signal-to-noise ratio and artefacts caused by some systematically missing angular views. While these can be overcome by sub-tomogram averaging, they remain limiting for the analysis of unique structures. Double-tilt ET can improve the tomogram quality by acquiring a second tilt series after an in-plane rotation, but its usage is not widespread yet because it is considered technically demanding and it is rarely used under cryo conditions. Here we show that double-tilt cryo-ET improves the quality of 3D reconstructions so significantly that even single particle analysis can be envisaged despite of the intrinsically low image contrast obtained from frozen-hydrated specimens. This is illustrated by the analysis of eukaryotic polyribosomes in which individual ribosomes were reconstructed using single-tilt, partial and full double-tilt geometries. The improved tomograms favour the faster convergence of iterative sub-tomogram averaging and allow a better 3D classification using multivariate statistical analysis. Our study of single particles and molecular assemblies within polysomes illustrates that the dual-axis approach is particularly useful for cryo applications of ET, both for unique objects and for structures that can be classified and averaged. - Highlights: ► Double-tilt cryo-ET improves 3D reconstructions thus making single particle analysis possible. ► Dual-axis cryo-ET data favour a faster convergence of iterative sub-tomogram averaging. ► Individual ribosomes were reconstructed from single-tilt, partial/ full double-tilt geometries. ► Double-tilt cryo-ET facilitates analysis of larger molecular assemblies such as in cell sections. ► Dual-axis cryo-ET is applicable to unique objects and to structures that can be

Edge structures and properties of triangular antidots in single-layer MoS2

International Nuclear Information System (INIS)

Gan, Li-Yong; Cheng, Yingchun; Huang, Wei; Schwingenschlögl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xi-xiang

2016-01-01

Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS 2 . The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS 2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS 2 devices.

Adsorption and double layer charging in molecular sieve carbons in relation to molecular dimensions and pore structures

International Nuclear Information System (INIS)

Koresh, J.

1982-09-01

The pore structure of a fibrous carbon molecular sieve was studied by adsorption of molecular probes. Mild activation steps enabled the graduated opening of critical pore dimensions in the range 3.1-5.0 A, which keeps adsorption selectivity between molecules differing by 0.2 A in cross section diameter, to be considerably greater than 100/1. High adsorption stereospecificity over a wide pore dimension range enabled the studied adsorbates to be ordered in a sequence of increasing critical molecular dimension. Estimation of molecular dimensions by various experimental methods was discussed and their relevance to nonspherical molecules was evaluated. Polar molecules assume different dimensions depending on whether the carbon surface was polar (oxidized) or not. Hydrogen acquires, surprisingly, large width in accordance with its high liquid molar volume. Adsorbent-adsorbate interactions play a crucial role in determining molecular dimensions. Adsorption of ions from aqueous solutions into the developed ultramicropores of fibrous carbon electrodes was also studied. The dependence of the double layer capacitance and the charging rate on the pore critical dimension and on surface oxidation was studied using linear potential sweep voltametry. (Author)

Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

Science.gov (United States)

Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

2017-07-01

Recently, single-layer group III monochalcogenides have attracted both theoretical and experimental interest at their potential applications in photonic devices, electronic devices, and solar energy conversion. Excited by this, we theoretically design two kinds of highly stable single-layer group IV-V (IV =Si ,Ge , and Sn; V =N and P) and group V-IV-III-VI (IV =Si ,Ge , and Sn; V =N and P; III =Al ,Ga , and In; VI =O and S) compounds with the same structures with single-layer group III monochalcogenides via first-principles simulations. By using accurate hybrid functional and quasiparticle methods, we show the single-layer group IV-V and group V-IV-III-VI are indirect bandgap semiconductors with their bandgaps and band edge positions conforming to the criteria of photocatalysts for water splitting. By applying a biaxial strain on single-layer group IV-V, single-layer group IV nitrides show a potential on mechanical sensors due to their bandgaps showing an almost linear response for strain. Furthermore, our calculations show that both single-layer group IV-V and group V-IV-III-VI have absorption from the visible light region to far-ultraviolet region, especially for single-layer SiN-AlO and SnN-InO, which have strong absorption in the visible light region, resulting in excellent potential for solar energy conversion and visible light photocatalytic water splitting. Our research provides valuable insight for finding more potential functional two-dimensional semiconductors applied in optoelectronics, solar energy conversion, and photocatalytic water splitting.

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.

Efficient and bright organic light-emitting diodes on single-layer graphene electrodes

Science.gov (United States)

Li, Ning; Oida, Satoshi; Tulevski, George S.; Han, Shu-Jen; Hannon, James B.; Sadana, Devendra K.; Chen, Tze-Chiang

2013-08-01

Organic light-emitting diodes are emerging as leading technologies for both high quality display and lighting. However, the transparent conductive electrode used in the current organic light-emitting diode technologies increases the overall cost and has limited bendability for future flexible applications. Here we use single-layer graphene as an alternative flexible transparent conductor, yielding white organic light-emitting diodes with brightness and efficiency sufficient for general lighting. The performance improvement is attributed to the device structure, which allows direct hole injection from the single-layer graphene anode into the light-emitting layers, reducing carrier trapping induced efficiency roll-off. By employing a light out-coupling structure, phosphorescent green organic light-emitting diodes exhibit external quantum efficiency >60%, while phosphorescent white organic light-emitting diodes exhibit external quantum efficiency >45% at 10,000 cd m-2 with colour rendering index of 85. The power efficiency of white organic light-emitting diodes reaches 80 lm W-1 at 3,000 cd m-2, comparable to the most efficient lighting technologies.

Single-hidden-layer feed-forward quantum neural network based on Grover learning.

Science.gov (United States)

Liu, Cheng-Yi; Chen, Chein; Chang, Ching-Ter; Shih, Lun-Min

2013-09-01

In this paper, a novel single-hidden-layer feed-forward quantum neural network model is proposed based on some concepts and principles in the quantum theory. By combining the quantum mechanism with the feed-forward neural network, we defined quantum hidden neurons and connected quantum weights, and used them as the fundamental information processing unit in a single-hidden-layer feed-forward neural network. The quantum neurons make a wide range of nonlinear functions serve as the activation functions in the hidden layer of the network, and the Grover searching algorithm outstands the optimal parameter setting iteratively and thus makes very efficient neural network learning possible. The quantum neuron and weights, along with a Grover searching algorithm based learning, result in a novel and efficient neural network characteristic of reduced network, high efficient training and prospect application in future. Some simulations are taken to investigate the performance of the proposed quantum network and the result show that it can achieve accurate learning. Copyright © 2013 Elsevier Ltd. All rights reserved.

A single hidden layer feedforward network with only one neuron in the hidden layer can approximate any univariate function

OpenAIRE

Guliyev , Namig; Ismailov , Vugar

2016-01-01

The possibility of approximating a continuous function on a compact subset of the real line by a feedforward single hidden layer neural network with a sigmoidal activation function has been studied in many papers. Such networks can approximate an arbitrary continuous function provided that an unlimited number of neurons in a hidden layer is permitted. In this paper, we consider constructive approximation on any finite interval of $\\mathbb{R}$ by neural networks with only one neuron in the hid...

Conductometric Sensor for PAH Detection with Molecularly Imprinted Polymer as Recognition Layer

Directory of Open Access Journals (Sweden)

Usman Latif

2018-03-01

Full Text Available A conductometric sensor based on screen-printed interdigital gold electrodes on glass substrate coated with molecularly imprinted polyurethane layers was fabricated to detect polycyclic aromatic hydrocarbons (PAHs in water. The results prove that screen-printed interdigital electrodes are very suitable transducers to fabricate low-cost sensor systems for measuring change in resistance of PAH-imprinted layers while exposing to different PAHs. The sensor showed good selectivity to its templated molecules and high sensitivity with a detection limit of 1.3 nmol/L e.g., for anthracene in water which is lower than WHO’s permissible limit.

Nanoscale heterostructures with molecular-scale single-crystal metal wires.

Science.gov (United States)

Kundu, Paromita; Halder, Aditi; Viswanath, B; Kundu, Dipan; Ramanath, Ganpati; Ravishankar, N

2010-01-13

Creating nanoscale heterostructures with molecular-scale (synthesis of nanoscale heterostructures with single-crystal molecular-scale Au nanowires attached to different nanostructure substrates. Our method involves the formation of Au nanoparticle seeds by the reduction of rocksalt AuCl nanocubes heterogeneously nucleated on the substrates and subsequent nanowire growth by oriented attachment of Au nanoparticles from the solution phase. Nanoscale heterostructures fabricated by such site-specific nucleation and growth are attractive for many applications including nanoelectronic device wiring, catalysis, and sensing.

Numerical test for single concrete armour layer on breakwaters

OpenAIRE

Anastasaki, E; Latham, J-P; Xiang, J

2016-01-01

The ability of concrete armour units for breakwaters to interlock and form an integral single layer is important for withstanding severe wave conditions. In reality, displacements take place under wave loading, whether they are small and insignificant or large and representing serious structural damage. In this work, a code that combines finite- and discrete-element methods which can simulate motion and interaction among units was used to conduct a numerical investigation. Various concrete ar...

Giant magnetoimpedance effect in sputtered single layered NiFe film and meander NiFe/Cu/NiFe film

International Nuclear Information System (INIS)

Chen, L.; Zhou, Y.; Lei, C.; Zhou, Z.M.; Ding, W.

2010-01-01

Giant magnetoimpedance (GMI) effect on NiFe thin film is very promising due to its application in developing the magnetic field sensors with highly sensitivity and low cost. In this paper, the single layered NiFe thin film and NiFe/Cu/NiFe thin film with a meander structure are prepared by the MEMS technology. The influences of sputtering parameters, film structure and conductor layer width on GMI effect in NiFe single layer and meander NiFe/Cu/NiFe film are investigated. Maximum of the GMI ratio in single layer and sandwich film is 5% and 64%, respectively. The results obtained are useful for developing the high-performance magnetic sensors based on NiFe thin film.

Replacement of asymmetric synaptic profiles in the molecular layer of dentate gyrus following cycloheximide in the pilocarpine model in rats.

Directory of Open Access Journals (Sweden)

Simone eBittencourt

2015-11-01

Full Text Available Mossy fiber sprouting is among the best-studied forms of post-lesional synaptic plasticity and is regarded by many as contributory to seizures in both humans and animal models of epilepsy. It is not known whether mossy fiber sprouting increases the number of synapses in the molecular layer or merely replaces lost contacts. Using the pilocarpine model of status epilepticus to induce mossy fiber sprouting, and cycloheximide to block this sprouting, we evaluated at the ultrastructural level the number and type of asymmetric synaptic contacts in the molecular layer of the dentate gyrus. As expected, whereas pilocarpine-treated rats had dense silver grain deposits in the inner molecular layer (reflecting mossy fiber sprouting, pilocarpine+cycloheximide-treated animals did not differ from controls. Both groups of treated rats (Pilo group and CHX+Pilo group had reduced density of asymmetric synaptic profiles (putative excitatory synaptic contacts, which was greater for cycloheximide-treated animals. For both treated groups the loss of excitatory synaptic contacts was even greater in the outer molecular layer than in the best studied inner molecular layer (in which mossy fiber sprouting occurs. These results indicate that mossy fiber sprouting tends to replace lost synaptic contacts rather than increase the absolute number of contacts. We speculate that the overall result is more consistent with restored rather than with increased excitability.

Epitaxial TiN(001) wetting layer for growth of thin single-crystal Cu(001)

Energy Technology Data Exchange (ETDEWEB)

Chawla, J. S.; Zhang, X. Y.; Gall, D. [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

2011-08-15

Single-crystal Cu(001) layers, 4-1400 nm thick, were deposited on MgO(001) with and without a 2.5-nm-thick TiN(001) buffer layer. X-ray diffraction and reflection indicate that the TiN(001) surface suppresses Cu-dewetting, yielding a 4 x lower defect density and a 9 x smaller surface roughness than if grown on MgO(001) at 25 deg. C. In situ and low temperature electron transport measurements indicate that ultra-thin (4 nm) Cu(001) remains continuous and exhibits partial specular scattering at the Cu-vacuum boundary with a Fuchs-Sondheimer specularity parameter p = 0.6 {+-} 0.2, suggesting that the use of epitaxial wetting layers is a promising approach to create low-resistivity single-crystal Cu nanoelectronic interconnects.

Molecular and polymeric organic semiconductors for applications in photovoltaic devices

International Nuclear Information System (INIS)

Meinhardt, G.

2000-01-01

Photovoltaic devices based on molecular as well as polymeric semiconductors were investigated and characterized. The organic materials presented here exhibit the advantages of low price, low processing costs and the possibility of tuning their optical properties. The photovoltaic properties were investigated by photocurrent action spectroscopy and I/V-characterization and the electric field distribution in each layer by electroabsorption spectroscopy. Single layer devices of molecular semiconductors and semiconducting polymers like methyl-substituted polyparaphenylene, CN-Ether-PPV, copper-phthalocyanine, the terryleneimide DOTer, the perylene derivatives BBP-perylene and polyBBP-perylene show low photocurrents as well as a small photovoltaic effect in their pristine form. One way to enhance the performance is to blend the active layer with molecular dopands like a soluble form of titaniumoxophthalocyanine or the aromatic macromolecule RS19 or to combine two organic semiconductors in heterostructure devices. The motivation for these experiments was the optimization of either charge transfer or energy transfer from one molecule to its neighbor molecule. A model based on the internal filter effect was used for fitting the photoresponse of single layer devices. For optimising heterostructure solar cells a more sophisticated theoretical model taking into account interference effects was used. (author)

Molecular magnetism, status and perspectives

Science.gov (United States)

Gatteschi, Dante; Bogani, Lapo; Cornia, Andrea; Mannini, Matteo; Sorace, Lorenzo; Sessoli, Roberta

2008-12-01

A short review is made of molecular magnetism, trying to discuss what is alive and well, with perspectives for the future. All the main fields of activity are mentioned, ranging from the so-called spin cross-over systems to the quest for organic (molecular) ferromagnets. Particular attention is devoted to some of the recent advances in these fields, highlighting also the opportunities for the development of applications. Low dimensional magnets are perhaps the best opportunity to use molecules, and the status of single-molecule and single chain magnets is discussed. The last part is devoted to the organization of magnetic molecules and to the development of techniques which allow to measure the magnetic properties of thin layers and, in perspective, of single molecules.

Photoluminescence characteristics of Pb-doped, molecular-beam-epitaxy grown ZnSe crystal layers

International Nuclear Information System (INIS)

Mita, Yoh; Kuronuma, Ryoichi; Inoue, Masanori; Sasaki, Shoichiro; Miyamoto, Yoshinobu

2004-01-01

The characteristic green photoluminescence emission and related phenomena in Pb-doped, molecular-beam-epitaxy (MBE)-grown ZnSe crystal layers were investigated to explore the nature of the center responsible for the green emission. The intensity of the green emission showed a distinct nonlinear dependence on excitation intensity. Pb-diffused polycrystalline ZnSe was similarly examined for comparison. The characteristic green emission has been observed only in MBE-grown ZnSe crystal layers with moderate Pb doping. The results of the investigations on the growth conditions, luminescence, and related properties of the ZnSe crystal layers suggest that the green emission is due to isolated Pb replacing Zn and surrounded with regular ZnSe lattice with a high perfection

Single-layer dispersions of transition metal dichalcogenides in the synthesis of intercalation compounds

International Nuclear Information System (INIS)

Golub, Alexander S; Zubavichus, Yan V; Slovokhotov, Yurii L; Novikov, Yurii N

2003-01-01

Chemical methods for the exfoliation of transition metal dichalcogenides in a liquid medium to give single-layer dispersions containing quasi-two-dimensional layers of these compounds are surveyed. Data on the structure of dispersions and their use in the synthesis of various types of heterolayered intercalation compounds are discussed and described systematically. Structural features, the electronic structure and the physicochemical properties of the resulting intercalation compounds are considered. The potential of this method of synthesis is compared with that of traditional solid-state methods for the intercalation of layered crystals.

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

Edge structures and properties of triangular antidots in single-layer MoS2

KAUST Repository

Gan, Li Yong; Cheng, Yingchun; Schwingenschlö gl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xixiang; Huang, Wei

2016-01-01

Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

Edge structures and properties of triangular antidots in single-layer MoS2

KAUST Repository

Gan, Li Yong

2016-08-30

Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

11-GHz waveguide Nd:YAG laser CW mode-locked with single-layer graphene.

Science.gov (United States)

Okhrimchuk, Andrey G; Obraztsov, Petr A

2015-06-08

We report stable, passive, continuous-wave (CW) mode-locking of a compact diode-pumped waveguide Nd:YAG laser with a single-layer graphene saturable absorber. The depressed cladding waveguide in the Nd:YAG crystal is fabricated with an ultrafast laser inscription method. The saturable absorber is formed by direct deposition of CVD single-layer graphene on the output coupler. The few millimeter-long cavity provides generation of 16-ps pulses with repetition rates in the GHz range (up to 11.3 GHz) and 12 mW average power. Stable CW mode-locking operation is achieved by controlling the group delay dispersion in the laser cavity with a Gires-Tournois interferometer.

Single-Layer Limit of Metallic Indium Overlayers on Si(111).

Science.gov (United States)

Park, Jae Whan; Kang, Myung Ho

2016-09-09

Density-functional calculations are used to identify one-atom-thick metallic In phases grown on the Si(111) surface, which have long been sought in quest of the ultimate two-dimensional (2D) limit of metallic properties. We predict two metastable single-layer In phases, one sqrt[7]×sqrt[3] phase with a coverage of 1.4 monolayer (ML; here 1 ML refers to one In atom per top Si atom) and the other sqrt[7]×sqrt[7] phase with 1.43 ML, which indeed agree with experimental evidences. Both phases reveal quasi-1D arrangements of protruded In atoms, leading to 2D-metallic but anisotropic band structures and Fermi surfaces. This directional feature contrasts with the free-electron-like In-overlayer properties that are known to persist up to the double-layer thickness, implying that the ultimate 2D limit of In overlayers may have been achieved in previous studies of double-layer In phases.

Interaction of lysozyme with a tear film lipid layer model: A molecular dynamics simulation study.

Science.gov (United States)

Wizert, Alicja; Iskander, D Robert; Cwiklik, Lukasz

2017-12-01

The tear film is a thin multilayered structure covering the cornea. Its outermost layer is a lipid film underneath of which resides on an aqueous layer. This tear film lipid layer (TFLL) is itself a complex structure, formed by both polar and nonpolar lipids. It was recently suggested that due to tear film dynamics, TFLL contains inhomogeneities in the form of polar lipid aggregates. The aqueous phase of tear film contains lachrymal-origin proteins, whereby lysozyme is the most abundant. These proteins can alter TFLL properties, mainly by reducing its surface tension. However, a detailed nature of protein-lipid interactions in tear film is not known. We investigate the interactions of lysozyme with TFLL in molecular details by employing coarse-grained molecular dynamics simulations. We demonstrate that lysozyme, due to lateral restructuring of TFLL, is able to penetrate the tear lipid film embedded in inverse micellar aggregates. Copyright © 2017 Elsevier B.V. All rights reserved.

Images of interlayer Josephson vortices in single-layer cuprates

International Nuclear Information System (INIS)

Moler, K. A.; Kirtley, J. R.; Liang, R.; Bonn, D. A.; Hardy, W. N.; Williams, J. M.; Schlueter, J. A.; Hinks, D.; Villard, G.; Maignan, A.; Nohara, M.; Takagi, H.

2000-01-01

The interlayer penetration depth in layered superconductors may be determined from scanning Superconducting QUantum Interference Device (SQUID) microscope images of interlayer Josephson vortices. The authors compare their findings at 4 K for single crystals of the organic superconductor κ-(BEDT-TTF) 2 Cu(NCS) 2 and three near-optimally doped cuprate superconductors: La 2-x Sr x CuO 4 , (Hg, Cu)Ba 2 CuO 4+δ , and Tl 2 Ba 2 CuO 6+δ

Catastrophe in the stochastic layer due to dipole perturbation for a single-null divertor Tokamak

International Nuclear Information System (INIS)

Ali, H.; Watson, M.; Punjabi, A.; Boozer, A.

1996-01-01

We use the method of maps developed by Punjabi and Boozer to investigate the motion of magnetic field lines in stochastic scrape-off layer in the presence of dipole perturbation of a single-null divertor Tokamak. This method is based on the idea that the magnetic field line trajectories in a divertor tokamak are mathematically equivalent to a single degree of freedom, time dependent Hamiltonian System, and that the basic features of motion near a separatrix broadened by asymmetric perturbations are generic for such Hamiltonian and near-Hamiltonian systems. The magnetic topology of a single-null divertor tokamak with the effects on dipole perturbations is represented by the Symmetric Simple Map followed by Dipole Map. We have found that as the amplitude of the dipole perturbation increases, the width of the stochastic layer also increases. At some critical value of the amplitude is reached, there is a catastrophic increase in the width of stochastic layer. This may have significant implications for tokamak divertor physics

Secretion of wound healing mediators by single and bi-layer skin substitutes.

Science.gov (United States)

Maarof, Manira; Law, Jia Xian; Chowdhury, Shiplu Roy; Khairoji, Khairul Anuar; Saim, Aminuddin Bin; Idrus, Ruszymah Bt Hj

2016-10-01

Limitations of current treatments for skin loss caused by major injuries leads to the use of skin substitutes. It is assumed that secretion of wound healing mediators by these skin substitutes plays a role in treating skin loss. In our previous study, single layer keratinocytes (SK), single layer fibroblast (SF) and bilayer (BL; containing keratinocytes and fibroblasts layers) skin substitutes were fabricated using fibrin that had shown potential to heal wounds in preclinical studies. This study aimed to quantify the secretion of wound healing mediators, and compare between single and bi-layer skin substitutes. Skin samples were digested to harvest fibroblasts and keratinocytes, and expanded to obtain sufficient cells for the construction of skin substitutes. Acellular fibrin (AF) construct was used as control. Substitutes i.e. AF, SK, SF and BL were cultured for 2 days, and culture supernatant was collected to analyze secretion of wound healing mediators via multiplex ELISA. Among 19 wound healing mediators tested, BL substitute secreted significantly higher amounts of CXCL1 and GCSF compared to SF and AF substitute but this was not significant with respect to SK substitute. The BL substitute also secreted significantly higher amounts of CXCL5 and IL-6 compared to other substitutes. In contrast, the SK substitute secreted significantly higher amounts of VCAM-1 compared to other substitutes. However, all three skin substitutes also secreted CCL2, CCL5, CCL11, GM-CSF, IL8, IL-1α, TNF-α, ICAM-1, FGF-β, TGF-β, HGF, VEGF-α and PDGF-BB factors, but no significant difference was seen. Secretion of these mediators after transplantation may play a significant role in promoting wound healing process for the treatment of skin loss.

Vibrational excitations in molecular layers probed by ballistic electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Kajen, Rasanayagam Sivasayan; Chandrasekhar, Natarajan [Institute of Materials Research and Engineering, 3 Research Link, 117602 (Singapore); Feng Xinliang; Muellen, Klaus [Max-Planck-Institut fuer Polymerforschung, Postfach 3148, D-55021 Mainz (Germany); Su Haibin, E-mail: n-chandra@imre.a-star.edu.sg, E-mail: muellen@mpip-mainz.mpg.de, E-mail: hbsu@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore)

2011-10-28

We demonstrate the information on molecular vibrational modes via the second derivative (d{sup 2}I{sub B}/dV{sup 2}) of the ballistic electron emission spectroscopy (BEES) current. The proposed method does not create huge fields as in the case of conventional derivative spectroscopy and maintains a zero bias across the device. BEES studies carried out on three different types of large polycyclic aromatic hydrocarbon (PAH) molecular layers show that the d{sup 2}I{sub B}/dV{sup 2} spectra consist of uniformly spaced peaks corresponding to vibronic excitations. The peak spacing is found to be identical for molecules within the same PAH family though the BEES onset voltage varies for different molecules. In addition, injection into a particular orbital appears to correspond to a specific vibrational mode as the manifestation of the symmetry principle.

High quality single atomic layer deposition of hexagonal boron nitride on single crystalline Rh(111) four-inch wafers

Energy Technology Data Exchange (ETDEWEB)

Hemmi, A.; Bernard, C.; Cun, H.; Roth, S.; Klöckner, M.; Kälin, T.; Osterwalder, J.; Greber, T., E-mail: greber@physik.uzh.ch [Physik-Institut, Universität Zürich, CH-8057 Zürich (Switzerland); Weinl, M.; Gsell, S.; Schreck, M. [Institut für Physik, Universität Augsburg, D-86135 Augsburg (Germany)

2014-03-15

The setup of an apparatus for chemical vapor deposition (CVD) of hexagonal boron nitride (h-BN) and its characterization on four-inch wafers in ultra high vacuum (UHV) environment is reported. It provides well-controlled preparation conditions, such as oxygen and argon plasma assisted cleaning and high temperature annealing. In situ characterization of a wafer is accomplished with target current spectroscopy. A piezo motor driven x-y stage allows measurements with a step size of 1 nm on the complete wafer. To benchmark the system performance, we investigated the growth of single layer h-BN on epitaxial Rh(111) thin films. A thorough analysis of the wafer was performed after cutting in atmosphere by low energy electron diffraction, scanning tunneling microscopy, and ultraviolet and X-ray photoelectron spectroscopies. The apparatus is located in a clean room environment and delivers high quality single layers of h-BN and thus grants access to large area UHV processed surfaces, which had been hitherto restricted to expensive, small area single crystal substrates. The facility is versatile enough for customization to other UHV-CVD processes, e.g., graphene on four-inch wafers.

Manipulation and control of a single molecular rotor on Au (111) surface

International Nuclear Information System (INIS)

Hai-Gang, Zhang; Jin-Hai, Mao; Qi, Liu; Nan, Jiang; Hai-Tao, Zhou; Hai-Ming, Guo; Dong-Xia, Shi; Hong-Jun, Gao

2010-01-01

Three different methods are used to manipulate and control phthalocyanine based single molecular rotors on Au (111) surface: (1) changing the molecular structure to alter the rotation potential; (2) using the tunnelling current of the scanning tunnelling microscope (STM) to change the thermal equilibrium of the molecular rotor; (3) artificial manipulation of the molecular rotor to switch the rotation on or off by an STM tip. Furthermore, a molecular 'gear wheel' is successfully achieved with two neighbouring molecules. (cross-disciplinary physics and related areas of science and technology)

On the approximation by single hidden layer feedforward neural networks with fixed weights

OpenAIRE

Guliyev, Namig J.; Ismailov, Vugar E.

2017-01-01

International audience; Feedforward neural networks have wide applicability in various disciplines of science due to their universal approximation property. Some authors have shown that single hidden layer feedforward neural networks (SLFNs) with fixed weights still possess the universal approximation property provided that approximated functions are univariate. But this phenomenon does not lay any restrictions on the number of neurons in the hidden layer. The more this number, the more the p...

Inhomogeneous Relaxation of a Molecular Layer on an Insulator due to Compressive Stress

Science.gov (United States)

Bocquet, F.; Nony, L.; Mannsfeld, S. C. B.; Oison, V.; Pawlak, R.; Porte, L.; Loppacher, Ch.

2012-05-01

We discuss the inhomogeneous stress relaxation of a monolayer of hexahydroxytriphenylene (HHTP) which adopts the rare line-on-line (LOL) coincidence on KCl(001) and forms moiré patterns. The fact that the hexagonal HHTP layer is uniaxially compressed along the LOL makes this system an ideal candidate to discuss the influence of inhomogeneous stress relaxation. Our work is a combination of noncontact atomic force microscopy experiments, density functional theory and potential energy calculations, and a thorough interpretation by means of the Frenkel-Kontorova model. We show that the assumption of a homogeneous molecular layer is not valid for this organic-inorganic heteroepitaxial system since the best calculated energy configuration correlates with the experimental data only if inhomogeneous relaxations of the layer are taken into account.

Microstructures of GaN1-xPx layers grown on (0001) GaN substrates by gas source molecular beam epitaxy

Science.gov (United States)

Seong, Tae-Yeon; Bae, In-Tae; Choi, Chel-Jong; Noh, D. Y.; Zhao, Y.; Tu, C. W.

1999-03-01

Transmission electron microscope (TEM), transmission electron diffraction (TED), and synchrotron x-ray diffraction (XRD) studies have been performed to investigate microstructural behavior of gas source molecular beam epitaxial GaN1-xPx layers grown on (0001) GaN/sapphire at temperatures (Tg) in the range 500-760 °C. TEM, TED, and XRD results indicate that the samples grown at Tg⩽600 °C undergo phase separation resulting in a mixture of GaN-rich and GaP-rich GaNP with zinc-blende structure. However, the samples grown at Tg⩾730 °C are found to be binary zinc-blende GaN(P) single crystalline materials. As for the 500 °C layer, the two phases are randomly oriented and distributed, whereas the 600 °C layer consists of phases that are elongated and inclined by 60°-70° clockwise from the [0001]α-GaN direction. The samples grown at Tg⩾730 °C are found to consist of two types of microdomains, namely, GaN(P)I and GaN(P)II; the former having twin relation to the latter.

Single-layer Ultralight, Flexible, Shielding Tension Shell System for Extreme Heat and Radiation

Data.gov (United States)

National Aeronautics and Space Administration — The objective of this project is to develop a flexible thermal protection system (FTPS) with a Boron Nitride Nanotube (BNNT)-based single-layer, lightweight,...

Single Turnover at Molecular Polymerization Catalysts Reveals Spatiotemporally Resolved Reactions.

Science.gov (United States)

Easter, Quinn T; Blum, Suzanne A

2017-10-23

Multiple active individual molecular ruthenium catalysts have been pinpointed within growing polynorbornene, thereby revealing information on the reaction dynamics and location that is unavailable through traditional ensemble experiments. This is the first single-turnover imaging of a molecular catalyst by fluorescence microscopy and allows detection of individual monomer reactions at an industrially important molecular ruthenium ring-opening metathesis polymerization (ROMP) catalyst under synthetically relevant conditions (e.g. unmodified industrial catalyst, ambient pressure, condensed phase, ca. 0.03 m monomer). These results further establish the key fundamentals of this imaging technique for characterizing the reactivity and location of active molecular catalysts even when they are the minor components. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Single-layer model for surface roughness.

Science.gov (United States)

Carniglia, C K; Jensen, D G

2002-06-01

Random roughness of an optical surface reduces its specular reflectance and transmittance by the scattering of light. The reduction in reflectance can be modeled by a homogeneous layer on the surface if the refractive index of the layer is intermediate to the indices of the media on either side of the surface. Such a layer predicts an increase in the transmittance of the surface and therefore does not provide a valid model for the effects of scatter on the transmittance. Adding a small amount of absorption to the layer provides a model that predicts a reduction in both reflectance and transmittance. The absorbing layer model agrees with the predictions of a scalar scattering theory for a layer with a thickness that is twice the rms roughness of the surface. The extinction coefficient k for the layer is proportional to the thickness of the layer.

Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

International Nuclear Information System (INIS)

Jia Yunpeng; Su Hongyuan; Hu Dongqing; Wu Yu; Jin Rui

2016-01-01

The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. (paper)

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.

Edge structures and properties of triangular antidots in single-layer MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Gan, Li-Yong, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, Yingchun, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa; Huang, Wei [Key Laboratory of Flexible Electronics (KLOFE) and Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials - SICAM, Nanjing Tech University - NanjingTech, 30 South Puzhu Road, Nanjing 211816 (China); Schwingenschlögl, Udo, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Yao, Yingbang [Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); School of Materials and Energy, Guangdong University of Technology, Guangdong 510006 (China); Zhao, Yong [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031 Sichuan (China); Zhang, Xi-xiang [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia)

2016-08-29

Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS{sub 2}. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS{sub 2} samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS{sub 2} devices.

Supramolecular architectures in layer-by-layer films of single-walled carbon nanotubes, chitosan and cobalt (II) phthalocyanine

Energy Technology Data Exchange (ETDEWEB)

Sousa Luz, Roberto A. de; Martins, Marccus Victor A.; Magalhaes, Janildo L. [Departamento de Quimica, Centro de Ciencias da Natureza, Universidade Federal do Piaui, Teresina - PI, CEP 64049-550 (Brazil); Siqueira, Jose R. [Instituto de Ciencias Exatas, Naturais e Educacao, Universidade Federal do Triangulo Mineiro, Uberaba - MG, CEP 38025-180, Brazil (Brazil); Zucolotto, Valtencir; Oliveira, Osvaldo N. [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Sao Carlos - SP, CEP 13560-970 (Brazil); Crespilho, Frank N. [Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC, Santo Andre - SP, CEP 09210-170 (Brazil); Cantanhede da Silva, Welter, E-mail: welter@ufpi.edu.br [Departamento de Quimica, Centro de Ciencias da Natureza, Universidade Federal do Piaui, Teresina - PI, CEP 64049-550 (Brazil)

2011-11-01

Highlights: {yields} Platforms were assembled from cobalt phthalocyanine, chitosan and carbon nanotubes. {yields} Supramolecular organization of multilayer films was investigated. {yields} Increase of the supramolecular charge transfer after carbon nanotube incorporation. {yields} Functional modulation based on constitutional dynamic chemistry was achieved. - Abstract: The building of supramolecular structures in nanostructured films has been exploited for a number of applications, with the film properties being controlled at the molecular level. In this study, we report on the layer-by-layer (LbL) films combining cobalt (II) tetrasulfonated phthalocyanine (CoTsPc), chitosan (Chit) and single-walled carbon nanotubes (SWCNTs) in two architectures, {l_brace}Chit/CoTsPc{r_brace}{sub n} and {l_brace}Chit-SWCNTs/CoTsPc{r_brace}{sub n} (n = 1-10). The physicochemical properties of the films were evaluated and the multilayer formation was monitored with microgravimetry measurements using a quartz microbalance crystal and an electrochemical technique. According to atomic force microscopy (AFM) results, the incorporation of SWCNTs caused the films to be thicker, with a thickness ca. 3 fold that of a 2-bilayer LbL film with no SWCNTs. Cyclic voltammetry revealed a quasi-reversible, one electron process with E{sub 1/2} at -0.65 V (vs SCE) and an irreversible oxidation process at 0.80 V in a physiological medium for both systems, which can be attributed to [CoTsPc(I)]{sup 5-}/[CoTsPc(II)]{sup 4-} and CoTsPc(II) to CoTsPc(III), respectively. The {l_brace}Chit-SWCNTs/CoTsPc{r_brace}{sub 5} multilayer film exhibited an increased faradaic current, probably associated with the supramolecular charge transfer interaction between cobalt phthalocyanine and SWCNTs. The results demonstrate that an intimate contact at the supramolecular level between functional SWCNTs immobilized into biocompatible chitosan polymer and CoTsPc improves the electron flow from CoTsPc redox sites to the

Single-unit-cell layer established Bi 2 WO 6 3D hierarchical architectures: Efficient adsorption, photocatalysis and dye-sensitized photoelectrochemical performance

Energy Technology Data Exchange (ETDEWEB)

Huang, Hongwei; Cao, Ranran; Yu, Shixin; Xu, Kang; Hao, Weichang; Wang, Yonggang; Dong, Fan; Zhang, Tierui; Zhang, Yihe

2017-12-01

Single-layer catalysis sparks huge interests and gains widespread attention owing to its high activity. Simultaneously, three-dimensional (3D) hierarchical structure can afford large surface area and abundant reactive sites, contributing to high efficiency. Herein, we report an absorbing single-unit-cell layer established Bi2WO6 3D hierarchical architecture fabricated by a sodium dodecyl benzene sulfonate (SDBS)-assisted assembled strategy. The DBS- long chains can adsorb on the (Bi2O2)2+ layers and hence impede stacking of the layers, resulting in the single-unit-cell layer. We also uncovered that SDS with a shorter chain is less effective than SDBS. Due to the sufficient exposure of surface O atoms, single-unit-cell layer 3D Bi2WO6 shows strong selectivity for adsorption on multiform organic dyes with different charges. Remarkably, the single-unit-cell layer 3D Bi2WO6 casts profoundly enhanced photodegradation activity and especially a superior photocatalytic H2 evolution rate, which is 14-fold increase in contrast to the bulk Bi2WO6. Systematic photoelectrochemical characterizations disclose that the substantially elevated carrier density and charge separation efficiency take responsibility for the strengthened photocatalytic performance. Additionally, the possibility of single-unit-cell layer 3D Bi2WO6 as dye-sensitized solar cells (DSSC) has also been attempted and it was manifested to be a promising dye-sensitized photoanode for oxygen evolution reaction (ORR). Our work not only furnish an insight into designing single-layer assembled 3D hierarchical architecture, but also offer a multi-functional material for environmental and energy applications.

Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

International Nuclear Information System (INIS)

Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria; Krukowski, Stanisław

2014-01-01

Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking

Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts

International Nuclear Information System (INIS)

Chang, Yung-Ting; Liu, Shun-Wei; Yuan, Chih-Hsien; Lee, Chih-Chien; Ho, Yu-Hsuan; Wei, Pei-Kuen; Chen, Kuan-Yu; Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti; Wu, Chih-I

2013-01-01

Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7 cd/A and maximum power efficiency of 8.39 lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7 cd/A and 8.39 lm/W to 23 cd/A and 13.2 lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts

Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts

Energy Technology Data Exchange (ETDEWEB)

Chang, Yung-Ting [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China); Liu, Shun-Wei [Department of Electronic Engineering, Mingchi University of Technology, New Taipei, Taiwan 24301, Taiwan (China); Yuan, Chih-Hsien; Lee, Chih-Chien [Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan 10607, Taiwan (China); Ho, Yu-Hsuan; Wei, Pei-Kuen [Research Center for Applied Science Academia Sinica, Taipei, Taiwan 11527, Taiwan (China); Chen, Kuan-Yu [Chilin Technology Co., LTD, Tainan City, Taiwan 71758, Taiwan (China); Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Wu, Chih-I, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China)

2013-11-07

Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7 cd/A and maximum power efficiency of 8.39 lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7 cd/A and 8.39 lm/W to 23 cd/A and 13.2 lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts.

Single-layer centrifugation through colloid selects improved quality of epididymal cat sperm.

Science.gov (United States)

Chatdarong, K; Thuwanut, P; Morrell, J M

2010-06-01

The objectives were to determine the: 1) extent of epithelial and red blood cell contamination in epididymal cat sperm samples recovered by the cutting method; 2) efficacy of simple washing, single-layer centrifugation (SLC), and swim-up for selecting epididymal cat sperm; and 3) effects of freezing and thawing on cat sperm selected by various techniques. Ten unit samples were studied; each contained sperm from the cauda epididymides of four cats (total, approximately 200 x 10(6) sperm) and was equally allocated into four treatments: 1) simple washing, 2) single-layer centrifugation through colloid prior to cryopreservation (SLC-PC), 3) single-layer centrifugation through colloid after cryopreservation (SLC-AC), and 4) swim-up. Centrifugation (300 x g for 20 min) was done for all methods. The SLC-PC had a better recovery rate than the SLC-AC and swim-up methods (mean+/-SD of 16.4+/-8.7, 10.7+/-8.9, and 2.3+/-1.7%, respectively; Pblood cell contamination than simple washed samples (0.02+/-0.01, 0.02+/-0.04, 0.03+/-0.04, and 0.44+/-0.22 x 10(6) cells/mL, respectively; P0.05), SLC-PC yielded the highest percentage of sperm with normal midpieces and tails (P0.05). In conclusion, both SLC-PC and swim-up improved the quality of epididymal cat sperm, including better morphology, membrane and DNA integrity, and removal of cellular contamination. However, SLC had a better sperm recovery rate than swim-up. 2010 Elsevier Inc. All rights reserved.

A retrospective study comparing the outcome of horses undergoing small intestinal resection and anastomosis with a single layer (Lembert) or double layer (simple continuous and Cushing) technique.

Science.gov (United States)

Close, Kristyn; Epstein, Kira L; Sherlock, Ceri E

2014-05-01

To (1) compare postoperative complications and survival in horses after small intestinal resection and anastomosis using 2 anastomosis techniques (single layer Lembert; double layer simple continuous oversewn with Cushing), and (2) to compare outcome by anastomosis type (jejunoileostomy; jejunojejunostomy). Retrospective case series. Horses (n = 53). Medical records (July 2006-July 2010) of all horses that had small intestinal resection and anastomosis. Horses were divided into groups based on technique and type of anastomosis. Comparisons of pre- and intraoperative findings (disease severity), postoperative complications, and survival rates were made between groups. There were no differences in disease severity, postoperative complications, or survival between single layer (n = 23) or double layer (n = 31) anastomoses. There were no differences in disease severity or survival between jejunoileostomy (n = 16) or jejunojejunostomy (n = 38). There was a higher incidence of postoperative colic in hospital after jejunoileostomy (13/16) compared with jejunojejunostomy (18/38) (P = .0127). Postoperative complications and survival are comparable between horses undergoing single layer and double layer small intestinal end-to-end anastomoses. With the exception of increased postoperative colic in the hospital, postoperative complications and survival after jejunoileostomy and jejunojejunostomy are also comparable. © Copyright 2014 by The American College of Veterinary Surgeons.

Retinal single-layer analysis with optical coherence tomography shows inner retinal layer thinning in Huntington's disease as a potential biomarker.

Science.gov (United States)

Gulmez Sevim, Duygu; Unlu, Metin; Gultekin, Murat; Karaca, Cagatay

2018-02-12

There have been ongoing clinical trials of therapeutic agents in Huntington's disease (HD) which requires development of reliable biomarkers of disease progression. There have been studies in the literature with conflicting results on the involvement of retina in HD, and up to date there is not a study evaluating the single retinal layers in HD. We aimed to evaluate the specific retinal changes in HD and their usability as potential disease progression markers. This cross-sectional study used spectral-domain optical coherence tomography with automatic segmentation to measure peripapillary retinal nerve fiber layer (pRNFL) thickness and the thickness and volume of retinal layers in foveal scans of 15 patients with HD and 15 age- and sex-matched controls. Genetic testing results, disease duration, HD disease burden scores and Unified HD Rating Scales motor scores were acquired for the patients. Temporal pRNFL, macular RNFL (mRNFL), ganglion cell layer (GCL), inner plexiform layer (IPL), inner nuclear layer and outer plexiform layer thicknesses and IPL, retinal pigment epithelium and outer macular volume were found lower in HD compared to controls, while outer nuclear layer and outer retinal layer thickness were increased (p layer thicknesses, most significantly with mRNFL and GCL and disease progression markers. The outcomes of this study points out that retinal layers, most significantly mRNFL and GCL, are strongly correlated with the disease progression in HD and could serve as useful biomarkers for disease progression.

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...

Promoting Barrier Performance and Cathodic Protection of Zinc-Rich Epoxy Primer via Single-Layer Graphene

Directory of Open Access Journals (Sweden)

Jingrong Liu

2018-05-01

Full Text Available The effect of single-layer graphene sheets (Gr on the corrosion protection of zinc-rich epoxy primers (ZRPs was investigated. Scanning electron microscopy (SEM with an energy dispersive spectrometer (EDS were used to characterize morphology and composition of the coatings after immersion for 25 days. The cross-sectional SEM images and X-ray photoelectron spectroscopy (XPS confirmed that the addition of single-layer graphene facilitated assembling of zinc oxides on the interface between the coating and the steel. The open circuit potential (OCP, electrochemical impedance spectroscopy (EIS measurements revealed that both the cathodic protection and barrier performance of the ZRP were enhanced after addition of 0.6 wt. % Gr (Gr0.6-ZRP. In addition, the cathodic protection property of the Gr0.6-ZRP was characterized quantitatively by localized electrochemical impedance spectroscopy (LEIS in the presence of an artificial scratch on the coating. The results demonstrate that moderate amounts of single-layer graphene can significantly improve corrosion resistance of ZRP, due to the barrier protection and cathodic protection effects.

Epitaxial growth of ZnO layers on (111) GaAs substrates by laser molecular beam epitaxy

International Nuclear Information System (INIS)

Ding Jian; Zhang Di; Konomi, Takaharu; Saito, Katsuhiko; Guo Qixin

2012-01-01

ZnO layers were grown on (111) GaAs substrates by laser molecular epitaxy at substrate temperatures between 200 and 550 °C. X-ray diffraction analysis revealed that c-axis of ZnO epilayer with a wurtzite structure is perpendicular to the substrate surface. X-ray rocking curves and Raman spectroscopy showed that the crystal quality of ZnO epilayers depends on the substrate temperature during the growth. Strong near-band-edge emission in the UV region without any deep-level emissions was observed from the ZnO epilayers at room temperature. The results indicate that laser molecular beam epitaxy is a promising growth method for obtaining high-quality ZnO layers on (111) GaAs substrates.

Molecular dynamics study of Pb-substituted Cu(1 0 0) surface layers

Energy Technology Data Exchange (ETDEWEB)

Evangelakis, G.A. [Department of Physics, University of Ioannina, PO Box 1186, Ioannina 45110 (Greece); Pontikis, V., E-mail: Vassilis.pontikis@cea.f [Laboratoire des Solides Irradies, CEA-DRECAM, 91191 Gif-sur-Yvette Cedex (France)

2009-08-26

Using molecular dynamics (MD) and phenomenological n-body potentials from the literature, we have studied the structure of the uppermost layers of low-index surfaces in copper after partial substitution of copper by lead atoms at randomly selected sites. We found that lead atoms substituting copper strongly perturb the positions of nearest and of next-nearest neighbors thus triggering the setup of a disordered, nanometer-thick amorphous-like surface layer. Equilibrium atomic density profiles, computed along the [1 0 0] crystallographic direction, show that amorphous overlayers are largely metastable whereas the system displays a structured compositional profile of lead segregating at the interfaces. Similarities between our results and experimental findings are briefly discussed.

Molecular dynamics study of Pb-substituted Cu(1 0 0) surface layers

International Nuclear Information System (INIS)

Evangelakis, G.A.; Pontikis, V.

2009-01-01

Using molecular dynamics (MD) and phenomenological n-body potentials from the literature, we have studied the structure of the uppermost layers of low-index surfaces in copper after partial substitution of copper by lead atoms at randomly selected sites. We found that lead atoms substituting copper strongly perturb the positions of nearest and of next-nearest neighbors thus triggering the setup of a disordered, nanometer-thick amorphous-like surface layer. Equilibrium atomic density profiles, computed along the [1 0 0] crystallographic direction, show that amorphous overlayers are largely metastable whereas the system displays a structured compositional profile of lead segregating at the interfaces. Similarities between our results and experimental findings are briefly discussed.

Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

Science.gov (United States)

Li, Kun; Gu, Boqin; Zhu, Wanfu

2017-03-01

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (Eb). It is shown that the binding energy (Eb) increase with the number of layers.

Hydrogen-induced structural transition in single layer ReS2

Science.gov (United States)

Yagmurcukardes, M.; Bacaksiz, C.; Senger, R. T.; Sahin, H.

2017-09-01

By performing density functional theory-based calculations, we investigate how structural, electronic and mechanical properties of single layer ReS2 can be tuned upon hydrogenation of its surfaces. It is found that a stable, fully hydrogenated structure can be obtained by formation of strong S-H bonds. The optimized atomic structure of ReS2H2 is considerably different than that of the monolayer ReS2 which has a distorted-1T phase. By performing phonon dispersion calculations, we also predict that the Re2-dimerized 1T structure (called 1T {{}\\text{R{{\\text{e}}2}}} ) of the ReS2H2 is dynamically stable. Unlike the bare ReS2 the 1T {{}\\text{R{{\\text{e}}2}}} -ReS2H2 structure which is formed by breaking the Re4 clusters into separated Re2 dimers, is an indirect-gap semiconductor. Furthermore, mechanical properties of the 1T {{}\\text{R{{\\text{e}}2}}} phase in terms of elastic constants, in-plane stiffness (C) and Poisson ratio (ν) are investigated. It is found that full hydrogenation not only enhances the flexibility of the single layer ReS2 crystal but also increases anisotropy of the elastic constants.

Oxygen recoil implant from SiO2 layers into single-crystalline silicon

International Nuclear Information System (INIS)

Wang, G.; Chen, Y.; Li, D.; Oak, S.; Srivastav, G.; Banerjee, S.; Tasch, A.; Merrill, P.; Bleiler, R.

2001-01-01

It is important to understand the distribution of recoil-implanted atoms and the impact on device performance when ion implantation is performed at a high dose through surface materials into single crystalline silicon. For example, in ultralarge scale integration impurity ions are often implanted through a thin layer of screen oxide and some of the oxygen atoms are inevitably recoil implanted into single-crystalline silicon. Theoretical and experimental studies have been performed to investigate this phenomenon. We have modified the Monte Carlo ion implant simulator, UT-Marlowe (B. Obradovic, G. Wang, Y. Chen, D. Li, C. Snell, and A. F. Tasch, UT-MARLOWE Manual, 1999), which is based on the binary collision approximation, to follow the full cascade and to dynamically modify the stoichiometry of the Si layer as oxygen atoms are knocked into it. CPU reduction techniques are used to relieve the demand on computational power when such a full cascade simulation is involved. Secondary ion mass spectrometry (SIMS) profiles of oxygen have been carefully obtained for high dose As and BF 2 implants at different energies through oxide layers of various thicknesses, and the simulated oxygen profiles are found to agree very well with the SIMS data. [copyright] 2001 American Institute of Physics

Field Enhancement in a Grounded Dielectric Slab by Using a Single Superstrate Layer

OpenAIRE

Valagiannopoulos, Constantinos A.; Tsitsas, Nikolaos L.

2012-01-01

The addition of a dielectric layer on a slab configuration is frequently utilized in various electromagnetic devices in order to give them certain desired operational characteristics. In this work, we consider a grounded dielectric film-slab, which is externally excited by a normally-incident Gaussian beam. On top of the film-slab, we use an additional suitably selected single isotropic superstrate layer in order to increase the field concentration inside the slab and hence achieve optimal po...

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.

Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.

Science.gov (United States)

Stock, Philipp; Utzig, Thomas; Valtiner, Markus

2017-02-08

In all realms of soft matter research a fundamental understanding of the structure/property relationships based on molecular interactions is crucial for developing a framework for the targeted design of soft materials. However, a molecular picture is often difficult to ascertain and yet essential for understanding the many different competing interactions at play, including entropies and cooperativities, hydration effects, and the enormous design space of soft matter. Here, we characterized for the first time the interaction between single hydrophobic molecules quantitatively using atomic force microscopy, and demonstrated that single molecular hydrophobic interaction free energies are dominated by the area of the smallest interacting hydrophobe. The interaction free energy amounts to 3-4 kT per hydrophobic unit. Also, we find that the transition state of the hydrophobic interactions is located at 3 Å with respect to the ground state, based on Bell-Evans theory. Our results provide a new path for understanding the nature of hydrophobic interactions at the single molecular scale. Our approach enables us to systematically vary hydrophobic and any other interaction type by utilizing peptide chemistry providing a strategic advancement to unravel molecular surface and soft matter interactions at the single molecular scale.

Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments

Czech Academy of Sciences Publication Activity Database

Kovář, P.; Pospíšil, M.; Káfuňková, Eva; Lang, Kamil; Kovanda, F.

2010-01-01

Roč. 16, č. 2 (2010), s. 223-233 ISSN 1610-2940 R&D Projects: GA ČR(CZ) GA203/06/1244; GA AV ČR KAN100500651 Institutional research plan: CEZ:AV0Z40320502 Keywords : layered double hydroxide * porphyrin * molecular simulations Subject RIV: CA - Inorganic Chemistry Impact factor: 1.871, year: 2010

Comparison of stress in single and multiple layer depositions of plasma-deposited amorphous silicon dioxide

International Nuclear Information System (INIS)

Au, V; Charles, C; Boswell, R W

2006-01-01

The stress in a single-layer continuous deposition of amorphous silicon dioxide (SiO 2 ) film is compared with the stress within multiple-layer intermittent or 'stop-start' depositions. The films were deposited by helicon activated reactive evaporation (plasma assisted deposition with electron beam evaporation source) to a 1 μm total film thickness. The relationships for stress as a function of film thickness for single, two, four and eight layer depositions have been obtained by employing the substrate curvature technique on a post-deposition etch-back of the SiO 2 film. At film thicknesses of less than 300 nm, the stress-thickness relationships clearly show an increase in stress in the multiple-layer samples compared with the relationship for the single-layer film. By comparison, there is little variation in the film stress between the samples when it is measured at 1 μm film thickness. Localized variations in stress were not observed in the regions where the 'stop-start' depositions occurred. The experimental results are interpreted as a possible indication of the presence of unstable, strained Si-O-Si bonds in the amorphous SiO 2 film. It is proposed that the subsequent introduction of a 'stop-start' deposition process places additional strain on these bonds to affect the film structure. The experimental stress-thickness relationships were reproduced independently by assuming a linear relationship between the measured bow and film thickness. The constants of the linear model are interpreted as an indication of the density of the amorphous film structure

Infiltrating a thin or single-layer opal with an atomic vapour: Sub-Doppler signals and crystal optics

Science.gov (United States)

Moufarej, Elias; Maurin, Isabelle; Zabkov, Ilya; Laliotis, Athanasios; Ballin, Philippe; Klimov, Vasily; Bloch, Daniel

2014-10-01

Artificial thin glass opals can be infiltrated with a resonant alkali-metal vapour, providing novel types of hybrid systems. The reflection at the interface between the substrate and the opal yields a resonant signal, which exhibits sub-Doppler structures in linear spectroscopy for a range of oblique incidences. This result is suspected to originate in an effect of the three-dimensional confinement of the vapour in the opal interstices. It is here extended to a situation where the opal is limited to a few- or even a single-layer opal film, which is a kind of bidimensional grating. We have developed a flexible one-dimensional layered optical model, well suited for a Langmuir-Blodgett opal. Once extended to the case of a resonant infiltration, the model reproduces quick variations of the lineshape with incidence angle or polarization. Alternately, for an opal limited to a single layer of identical spheres, a three-dimensional numerical calculation was developed. It predicts crystalline anisotropy, which is demonstrated through diffraction on an empty opal made of a single layer of polystyrene spheres.

Multispectral optical tweezers for molecular diagnostics of single biological cells

Science.gov (United States)

Butler, Corey; Fardad, Shima; Sincore, Alex; Vangheluwe, Marie; Baudelet, Matthieu; Richardson, Martin

2012-03-01

Optical trapping of single biological cells has become an established technique for controlling and studying fundamental behavior of single cells with their environment without having "many-body" interference. The development of such an instrument for optical diagnostics (including Raman and fluorescence for molecular diagnostics) via laser spectroscopy with either the "trapping" beam or secondary beams is still in progress. This paper shows the development of modular multi-spectral imaging optical tweezers combining Raman and Fluorescence diagnostics of biological cells.

Preparation and characterization of tempered tungsten layers on single crystalline silicon

International Nuclear Information System (INIS)

Nitzsche, K.; Knedlik, C.; Tippmann, H.; Spiess, L.; Harman, R.; Vanek, O.; Tvarozek, V.

1984-01-01

Tungsten layers have been deposited on single crystalline silicon by sputtering and characterized by measurements of the sheet resistance by a linear four point method and the van der Pauw method. The influence of tempering under argon on the resistance has been studied. By means of the RBS spectroscopy it was found that the increase in the specific resistance is caused by interdiffusion

Creation of oxygen-enriched layers at the surface of GaAs single crystal

International Nuclear Information System (INIS)

Kulik, M.; Maczka, D.; Kobzev, A.P.

1999-01-01

The optical properties and the element depth profiles at the (100) plane high resistant and noncomposite GaAs single crystals implanted with In ions were investigated. The results have been compared with those obtained for virgin samples. The optic properties for all of the samples (implanted and not implanted, annealed and not annealed) have been measured using the ellipsometric method. The element depth profiles for the same samples have been obtained by the RBS and NRA techniques. It has been shown that the post-implantation annealing at a temperature more than 600 deg C leads to a ten time increase in contents of oxygen atoms in the implanted layer with respect to the not annealed sample. The thickness of the transparence layer at the surface of GaAs single crystal increases also after implantation with In ions and subsequent annealing

Low temperature synthesis and field emission characteristics of single to few layered graphene grown using PECVD

Energy Technology Data Exchange (ETDEWEB)

Kumar, Avshish; Khan, Sunny; Zulfequar, M.; Harsh; Husain, Mushahid, E-mail: mush_reslab@rediffmail.com

2017-04-30

Highlights: • Graphene was synthesized by PECVD system at a low temperature of 600 °C. • From different characterization techniques, the presence of single and few layered graphene was confirmed. • X-ray diffraction pattern of the graphene showed single crystalline nature of the film. • The as-grown graphene films were observed extremely good field emitters with long term emission current stability. - Abstract: In this work, high-quality graphene has successfully been synthesized on copper (Cu) coated Silicon (Si) substrate at very large-area by plasma enhanced chemical vapor deposition system. This method is low cost and highly effective for synthesizing graphene relatively at low temperature of 600 °C. Electron microscopy images have shown that surface morphology of the grown samples is quite uniform consisting of single layered graphene (SLG) to few layered graphene (FLG). Raman spectra reveal that graphene has been grown with high-quality having negligible defects and the observation of G and G' peaks is also an indicative of stokes phonon energy shift caused due to laser excitation. Scanning probe microscopy image also depicts the synthesis of single to few layered graphene. The field emission characteristics of as-grown graphene samples were studied in a planar diode configuration at room temperature. The graphene samples were observed to be a good field emitter having low turn-on field, higher field amplification factor and long term emission current stability.

Molecular discriminators using single wall carbon nanotubes

International Nuclear Information System (INIS)

Bhattacharyya, Tamoghna; Dasgupta, Anjan Kr; Ray, Nihar Ranjan; Sarkar, Sabyasachi

2012-01-01

The interaction between single wall carbon nanotubes (SWNTs) and amphiphilic molecules has been studied in a solid phase. SWNTs are allowed to interact with different amphiphilic probes (e.g. lipids) in a narrow capillary interface. Contact between strong hydrophobic and amphiphilic interfaces leads to a molecular restructuring of the lipids at the interface. The geometry of the diffusion front and the rate and the extent of diffusion of the interface are dependent on the structure of the lipid at the interface. Lecithin having a linear tail showed greater mobility of the interface as compared to a branched tail lipid like dipalmitoyl phosphatidylcholine, indicating the hydrophobic interaction between single wall carbon nanotube core and the hydrophobic tail of the lipid. Solid phase interactions between SWNT and lipids can thus become a very simple but efficient means of discriminating amphiphilic molecules in general and lipids in particular. (paper)

Longitudinal transvaginal ultrasound evaluation of cesarean scar niche incidence and depth in the first two years after single- or double-layer uterotomy closure: a randomized controlled trial.

Science.gov (United States)

Bamberg, Christian; Hinkson, Larry; Dudenhausen, Joachim W; Bujak, Verena; Kalache, Karim D; Henrich, Wolfgang

2017-12-01

Cesarean deliveries are the most common abdominal surgery procedure globally, and the optimal way to suture the hysterotomy remains a matter of debate. The aim of this study was to assess the incidence of cesarean scar niches and the depth after single- or double-layer uterine closure. We performed a randomized controlled trial in which women were allocated to three uterotomy suture techniques: continuous single-layer unlocked, continuous locked single-layer, or double-layer sutures. Transvaginal ultrasound was performed six weeks and 6-24 months after cesarean delivery [Clinicaltrials.gov (NCT02338388)]. The study included 435 women. Six weeks after delivery, the incidence of niche was not significantly different between the groups (p = 0.52): 40% for single-layer unlocked, 32% for single-layer locked and 43% for double-layer sutures. The mean ± SD niche depths were 3.0 ± 1.4 mm for single-layer unlocked, 3.6 ± 1.7 mm for single-layer locked and 3.3 ± 1.3 mm for double-layer sutures (p = 1.0). There were no significant differences (p = 0.58) in niche incidence between the three groups at the second ultrasound follow up: 30% for single-layer unlocked, 23% for single-layer locked and 29% for double-layer sutures. The mean ± SD niche depth was 3.1 ± 1.5 mm after single-layer unlocked, 2.8 ± 1.5 mm after single-layer locked and 2.5 ± 1.2 mm after double-layer sutures (p = 0.61). There was a trend (p = 0.06) for the residual myometrium thickness to be thicker after double-layer repair at the long-term follow up. The incidence of cesarean scar niche formation and the niche depth was independent of the hysterotomy closure technique. © 2017 Nordic Federation of Societies of Obstetrics and Gynecology.

Facile synthesis of novel magnetic silica nanoparticles functionalized with layer-by-layer detonation nanodiamonds for secretome study.

Science.gov (United States)

Li, Hong; Wang, Yi; Zhang, Lei; Lu, Haojie; Zhou, Zhongjun; Wei, Liming; Yang, Pengyuan

2015-12-07

Novel magnetic silica nanoparticles functionalized with layer-by-layer detonation nanodiamonds (dNDs) were prepared by coating single submicron-size magnetite particles with silica and subsequently modified with dNDs. The resulting layer-by-layer dND functionalized magnetic silica microspheres (Fe3O4@SiO2@[dND]n) exhibit a well-defined magnetite-core-silica-shell structure and possess a high content of magnetite, which endow them with high dispersibility and excellent magnetic responsibility. Meanwhile, dNDs are known for their high affinity and biocompatibility towards peptides or proteins. Thus, a novel convenient, fast and efficient pretreatment approach of low-abundance peptides or proteins was successfully established with Fe3O4@SiO2@[dND]n microspheres. The signal intensity of low-abundance peptides was improved by at least two to three orders of magnitude in mass spectrometry analysis. The novel microsphere also showed good tolerance to salt. Even with a high concentration of salt, peptides or proteins could be isolated effectively from samples. Therefore, the convenient and efficient enrichment process of this novel layer-by-layer dND-functionalized microsphere makes it a promising candidate for isolation of protein in a large volume of culture supernatant for secretome analysis. In the application of Fe3O4@SiO2@[dND]n in the secretome of hepatoma cells, 1473 proteins were identified and covered a broad range of pI and molecular weight, including 377 low molecular weight proteins.

Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

OpenAIRE

Hyeon, Changbong

2010-01-01

In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

Single track and single layer formation in selective laser melting of niobium solid solution alloy

Directory of Open Access Journals (Sweden)

Yueling GUO

2018-04-01

Full Text Available Selective laser melting (SLM was employed to fabricate Nb-37Ti-13Cr-2Al-1Si (at% alloy, using pre-alloyed powders prepared by plasma rotating electrode processing (PREP. A series of single tracks and single layers under different processing parameters was manufactured to evaluate the processing feasibility by SLM, including laser power, scanning speed, and hatch distance. Results showed that continuous single tracks could be fabricated using proper laser powers and scanning velocities. Both the width of a single track and its penetration depth into a substrate increased with an increase of the linear laser beam energy density (LED, i.e., an increase of the laser power and a decrease of the scanning speed. Nb, Ti, Si, Cr, and Al elements distributed heterogeneously over the melt pool in the form of swirl-like patterns. An excess of the hatch distance was not able to interconnect neighboring tracks. Under improper processing parameters, a balling phenomenon occurred, but could be eliminated with an increased LED. This work testified the SLM-processing feasibility of Nb-based alloy and promoted the application of SLM to the manufacture of niobium-based alloys. Keywords: Additive manufacturing, Melt pool, Niobium alloy, Powder metallurgy, Selective laser melting

Genomic prediction in a nuclear population of layers using single-step models.

Science.gov (United States)

Yan, Yiyuan; Wu, Guiqin; Liu, Aiqiao; Sun, Congjiao; Han, Wenpeng; Li, Guangqi; Yang, Ning

2018-02-01

Single-step genomic prediction method has been proposed to improve the accuracy of genomic prediction by incorporating information of both genotyped and ungenotyped animals. The objective of this study is to compare the prediction performance of single-step model with a 2-step models and the pedigree-based models in a nuclear population of layers. A total of 1,344 chickens across 4 generations were genotyped by a 600 K SNP chip. Four traits were analyzed, i.e., body weight at 28 wk (BW28), egg weight at 28 wk (EW28), laying rate at 38 wk (LR38), and Haugh unit at 36 wk (HU36). In predicting offsprings, individuals from generation 1 to 3 were used as training data and females from generation 4 were used as validation set. The accuracies of predicted breeding values by pedigree BLUP (PBLUP), genomic BLUP (GBLUP), SSGBLUP and single-step blending (SSBlending) were compared for both genotyped and ungenotyped individuals. For genotyped females, GBLUP performed no better than PBLUP because of the small size of training data, while the 2 single-step models predicted more accurately than the PBLUP model. The average predictive ability of SSGBLUP and SSBlending were 16.0% and 10.8% higher than the PBLUP model across traits, respectively. Furthermore, the predictive abilities for ungenotyped individuals were also enhanced. The average improvements of prediction abilities were 5.9% and 1.5% for SSGBLUP and SSBlending model, respectively. It was concluded that single-step models, especially the SSGBLUP model, can yield more accurate prediction of genetic merits and are preferable for practical implementation of genomic selection in layers. © 2017 Poultry Science Association Inc.

Molecular dynamics investigation on adsorption layer of alcohols at the air/brine interface.

Science.gov (United States)

Nguyen, Cuong V; Phan, Chi M; Ang, Ha M; Nakahara, Hiromichi; Shibata, Osamu; Moroi, Yoshikiyo

2015-01-01

Alcohols are a significant group of surfactants which have been employed extensively in industry to improve the interfacial effects. Recently, the change in surface potential (ΔV) of two isomeric hexanols, methyl isobutyl carbinol (MIBC) and 1-hexanol, was investigated by using an ionizing (241)Am electrode. It clearly showed the opposite effects between MIBC and 1-hexanol in the interfacial zone: one enhanced the presence of cations, whereas the other enhanced the presence of anions. This study employs molecular dynamics simulation to provide new insights into the interactions between alcohol molecules and ions as well as water at the molecular level. The results qualitatively agreed with the experimental data and verified the significance of MIBC branching structure on the molecular arrangement within the interfacial zone. The results also highlighted the role of the second water layer on the interfacial properties.

A Prospective Randomized Clinical Trial of Single vs. Double Layer Closure of Hysterotomy at the Time of Cesarean Delivery: The Effect on Uterine Scar Thickness.

Science.gov (United States)

Bamberg, Christian; Dudenhausen, Joachim W; Bujak, Verena; Rodekamp, Elke; Brauer, Martin; Hinkson, Larry; Kalache, Karim; Henrich, Wolfgang

2018-06-01

 We undertook a randomized clinical trial to examine the outcome of a single vs. a double layer uterine closure using ultrasound to assess uterine scar thickness.  Participating women were allocated to one of three uterotomy suture techniques: continuous single layer unlocked suturing, continuous locked single layer suturing, or double layer suturing. Transvaginal ultrasound of uterine scar thickness was performed 6 weeks and 6 - 24 months after Cesarean delivery. Sonographers were blinded to the closure technique.  An "intent-to-treat" and "as treated" ANOVA analysis included 435 patients (n = 149 single layer unlocked suturing, n = 157 single layer locked suturing, and n = 129 double layer suturing). 6 weeks postpartum, the median scar thickness did not differ among the three groups: 10.0 (8.5 - 12.3 mm) single layer unlocked vs. 10.1 (8.2 - 12.7 mm) single layer locked vs. 10.8 (8.1 - 12.8 mm) double layer; (p = 0.84). At the time of the second follow-up, the uterine scar was not significantly (p = 0.06) thicker if the uterus had been closed with a double layer closure 7.3 (5.7 - 9.1 mm), compared to single layer unlocked 6.4 (5.0 - 8.8 mm) or locked suturing techniques 6.8 (5.2 - 8.7 mm). Women who underwent primary or elective Cesarean delivery showed a significantly (p = 0.03, p = 0.02, "as treated") increased median scar thickness after double layer closure vs. single layer unlocked suture.  A double layer closure of the hysterotomy is associated with a thicker myometrium scar only in primary or elective Cesarean delivery patients. © Georg Thieme Verlag KG Stuttgart · New York.

Molecular dynamics simulations of single siloxane dendrimers: Molecular structure and intramolecular mobility of terminal groups

Science.gov (United States)

Kurbatov, A. O.; Balabaev, N. K.; Mazo, M. A.; Kramarenko, E. Yu.

2018-01-01

Molecular dynamics simulations of two types of isolated siloxane dendrimers of various generations (from the 2nd to the 8th) have been performed for temperatures ranging from 150 K to 600 K. The first type of dendrimer molecules has short spacers consisting of a single oxygen atom. In the dendrimers of the second type, spacers are longer and comprised of two oxygen atoms separated by a single silicon atom. A comparative analysis of molecular macroscopic parameters such as the gyration radius and the shape factor as well as atom distributions within dendrimer interior has been performed for varying generation number, temperature, and spacer length. It has been found that the short-spacer dendrimers of the 7th and 8th generations have a stressed central part with elongated bonds and deformed valence angles. Investigation of the time evolution of radial displacements of the terminal Si atoms has shown that a fraction of the Si groups have a reduced mobility. Therefore, rather long time trajectories (of the order of tens of nanoseconds) are required to study dendrimer intramolecular dynamics.

Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics.

Science.gov (United States)

Wu, Wenzhuo; Wang, Lei; Li, Yilei; Zhang, Fan; Lin, Long; Niu, Simiao; Chenet, Daniel; Zhang, Xian; Hao, Yufeng; Heinz, Tony F; Hone, James; Wang, Zhong Lin

2014-10-23

The piezoelectric characteristics of nanowires, thin films and bulk crystals have been closely studied for potential applications in sensors, transducers, energy conversion and electronics. With their high crystallinity and ability to withstand enormous strain, two-dimensional materials are of great interest as high-performance piezoelectric materials. Monolayer MoS2 is predicted to be strongly piezoelectric, an effect that disappears in the bulk owing to the opposite orientations of adjacent atomic layers. Here we report the first experimental study of the piezoelectric properties of two-dimensional MoS2 and show that cyclic stretching and releasing of thin MoS2 flakes with an odd number of atomic layers produces oscillating piezoelectric voltage and current outputs, whereas no output is observed for flakes with an even number of layers. A single monolayer flake strained by 0.53% generates a peak output of 15 mV and 20 pA, corresponding to a power density of 2 mW m(-2) and a 5.08% mechanical-to-electrical energy conversion efficiency. In agreement with theoretical predictions, the output increases with decreasing thickness and reverses sign when the strain direction is rotated by 90°. Transport measurements show a strong piezotronic effect in single-layer MoS2, but not in bilayer and bulk MoS2. The coupling between piezoelectricity and semiconducting properties in two-dimensional nanomaterials may enable the development of applications in powering nanodevices, adaptive bioprobes and tunable/stretchable electronics/optoelectronics.

Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe₂ and WSe₂.

Science.gov (United States)

Late, Dattatray J; Shirodkar, Sharmila N; Waghmare, Umesh V; Dravid, Vinayak P; Rao, C N R

2014-06-06

We report the temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2)(2u) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strain-phonon coupling. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

Science.gov (United States)

Yunpeng, Jia; Hongyuan, Su; Rui, Jin; Dongqing, Hu; Yu, Wu

2016-02-01

The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. Project supported by the National Natural Science Foundation of China (No. 61176071), the Doctoral Fund of Ministry of Education of China (No. 20111103120016), and the Science and Technology Program of State Grid Corporation of China (No. SGRI-WD-71-13-006).

The edge- and basal-plane-specific electrochemistry of a single-layer graphene sheet

Science.gov (United States)

Yuan, Wenjing; Zhou, Yu; Li, Yingru; Li, Chun; Peng, Hailin; Zhang, Jin; Liu, Zhongfan; Dai, Liming; Shi, Gaoquan

2013-01-01

Graphene has a unique atom-thick two-dimensional structure and excellent properties, making it attractive for a variety of electrochemical applications, including electrosynthesis, electrochemical sensors or electrocatalysis, and energy conversion and storage. However, the electrochemistry of single-layer graphene has not yet been well understood, possibly due to the technical difficulties in handling individual graphene sheet. Here, we report the electrochemical behavior at single-layer graphene-based electrodes, comparing the basal plane of graphene to its edge. The graphene edge showed 4 orders of magnitude higher specific capacitance, much faster electron transfer rate and stronger electrocatalytic activity than those of graphene basal plane. A convergent diffusion effect was observed at the sub-nanometer thick graphene edge-electrode to accelerate the electrochemical reactions. Coupling with the high conductivity of a high-quality graphene basal plane, graphene edge is an ideal electrode for electrocatalysis and for the storage of capacitive charges. PMID:23896697

Towards Controlled Single-Molecule Manipulation Using “Real-Time” Molecular Dynamics Simulation: A GPU Implementation

Directory of Open Access Journals (Sweden)

Dyon van Vreumingen

2018-05-01

Full Text Available Molecular electronics saw its birth with the idea to build electronic circuitry with single molecules as individual components. Even though commercial applications are still modest, it has served an important part in the study of fundamental physics at the scale of single atoms and molecules. It is now a routine procedure in many research groups around the world to connect a single molecule between two metallic leads. What is unknown is the nature of this coupling between the molecule and the leads. We have demonstrated recently (Tewari, 2018, Ph.D. Thesis our new setup based on a scanning tunneling microscope, which can be used to controllably manipulate single molecules and atomic chains. In this article, we will present the extension of our molecular dynamic simulator attached to this system for the manipulation of single molecules in real time using a graphics processing unit (GPU. This will not only aid in controlled lift-off of single molecules, but will also provide details about changes in the molecular conformations during the manipulation. This information could serve as important input for theoretical models and for bridging the gap between the theory and experiments.

Exploring single-layered SnSe honeycomb polymorphs for optoelectronic and photovoltaic applications

Science.gov (United States)

Ul Haq, Bakhtiar; AlFaify, S.; Ahmed, R.; Butt, Faheem K.; Laref, A.; Shkir, Mohd.

2018-02-01

Single-layered tin selenide that shares the same structure with phosphorene and possesses intriguing optoelectronic properties has received great interest as a two-dimensional material beyond graphene and phosphorene. Herein, we explore the optoelectronic response of the newly discovered stable honeycomb derivatives (such as α , β , γ , δ , and ɛ ) of single-layered SnSe in the framework of density functional theory. The α , β , γ , and δ derivatives of a SnSe monolayer have been found to exhibit an indirect band gap, however, the dispersion of their band-gap edges demonstrates multiple direct band gaps at a relatively high energy. The ɛ -SnSe, however, features an intrinsic direct band gap at the high-symmetry Γ point. Their energy band gaps (0.53, 2.32, 1.52, 1.56, and 1.76 eV for α -, β -, γ -, δ -, and ɛ -SnSe, respectively), calculated at the level of the Tran-Blaha modified Becke-Johnson approach, mostly fall right in the visible range of the electromagnetic spectrum and are in good agreement with the available literature. The optical spectra of these two-dimensional (2D) SnSe polymorphs (besides β -SnSe) are highly anisotropic and possess strictly different optical band gaps along independent diagonal components. They show high absorption in the visible and UV ranges. Similarly, the reflectivity, refraction, and optical conductivities inherit strong anisotropy from the dielectric functions as well and are highly visible-UV polarized along the cartesian coordinates, showing them to be suitable for optical filters, polarizers, and shields against UV radiation. Our investigations suggest these single-layered SnSe allotropes as a promising 2D material for next-generation nanoscale optoelectronic and photovoltaic applications beyond graphene and phosphorene.

Molecular layer interneurons of the cerebellum: developmental and morphological aspects.

Science.gov (United States)

Sotelo, Constantino

2015-10-01

During the past 25 years, our knowledge on the development of basket and stellate cells (molecular layer interneurons [MLIs]) has completely changed, not only regarding their origin from the ventricular zone, corresponding to the primitive cerebellar neuroepithelium, instead of the external granular layer, but above all by providing an almost complete account of the genetic regulations (transcription factors and other genes) involved in their differentiation and synaptogenesis. Moreover, it has been shown that MLIs' precursors (dividing neuroblasts) and not young postmitotic neurons, as in other germinal neuroepithelia, leave the germinative zone and migrate all along a complex and lengthy path throughout the presumptive cerebellar white matter, which provides suitable niches exerting epigenetic influences on their ultimate neuronal identities. Recent studies carried out on the anatomical-functional properties of adult MLIs emphasize the importance of these interneurons in regulating PC inhibition, and point out the crucial role played by electrical synaptic transmission between MLIs as well as ephaptic interactions between them and Purkinje cells at the pinceaux level, in the regulation of this inhibition.

Unusual strain in homoepitaxial CdTe(001) layers grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Heinke, H.; Waag, A.; Moeller, M.O.; Regnet, M.M.; Landwehr, G. [Physikalisches Institut, Univ. Wuerzburg (Germany)

1994-01-01

For homoepitaxial CdTe(001) films grown by molecular beam epitaxy onto CdTe(001) substrates, a difference between the lattice constants of the substrate and the layer was systematically observed using high resolution X-ray diffraction. Reciprocal space maps point out an unusual strain state of such layers which is indicated by the position of their reciprocal lattice points. They lie in a section of reciprocal space which is usually forbidden by elasticity theory. The strain is laterally anisotropic leading to a monoclinic symmetry of the thin films. The lateral strain is depth dependent. Possible reasons for the formation of the unusual strain are discussed, and a correlation of the unusual strain with the growth conditions is attempted

Superconducting NbN single-photon detectors on GaAs with an AlN buffer layer

Energy Technology Data Exchange (ETDEWEB)

Schmidt, Ekkehart; Merker, Michael; Ilin, Konstantin; Siegel, Michael [Institut fuer Mikro- und Nanoelektronische Systeme (IMS), Karlsruher Institut fuer Technologie, Hertzstrasse 16, 76187 Karlsruhe (Germany)

2015-07-01

GaAs is the material of choice for photonic integrated circuits. It allows the monolithic integration of single-photon sources like quantum dots, waveguide based optical circuits and detectors like superconducting nanowire single-photon detectors (SNSPDs) onto one chip. The growth of high quality NbN films on GaAs is challenging, due to natural occurring surface oxides and the large lattice mismatch of about 27%. In this work, we try to overcome these problems by the introduction of a 10 nm AlN buffer layer. Due to the buffer layer, the critical temperature of 6 nm thick NbN films was increased by about 1.5 K. Furthermore, the critical current density at 4.2 K of NbN flim deposited onto GaAs with AlN buffer is 50% higher than of NbN film deposited directly onto GaAs substrate. We successfully fabricated NbN SNSPDs on GaAs with a AlN buffer layer. SNSPDs were patterned using electron-beam lithography and reactive-ion etching techniques. Results on the study of detection efficiency and jitter of a NbN SNSPD on GaAs, with and without AlN buffer layer will be presented and discussed.

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

Science.gov (United States)

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

2016-01-07

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

The structure and properties of single-layer and gradient-layered coatings of the Ti–Al–Si–Cr–Mo–S–N system

Energy Technology Data Exchange (ETDEWEB)

Ovchinnikov, Stanislav, E-mail: ovm@spti.tsu.ru; Pinzhin, Yurii, E-mail: pinzhin@phys.tsu.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk State University, Tomsk, 634050 (Russian Federation)

2015-10-27

Using the method of microprobe analysis and transmission electron microscopy, the influence of obtaining conditions upon particular elemental composition and growth structure coatings of Ti–Al–Si–Mo–S–N system was studied. The possibility of formation and characteristics of the structural and elastic-stress state single-layer coatings with nanoscale columnar or equiaxed grains and gradient-layered, combining two types of selected structure, was defined. On the basis of hardness, tribological properties and coating hardness, a conclusion was made about the relative prospects of its use as wear-resistant coatings with a nanocrystalline structure.

Computational exploration of single-protein mechanics by steered molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Sotomayor, Marcos [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio (United States)

2015-12-31

Hair cell mechanotransduction happens in tens of microseconds, involves forces of a few picoNewtons, and is mediated by nanometer-scale molecular conformational changes. As proteins involved in this process become identified and their high resolution structures become available, multiple tools are being used to explore their “single-molecule responses” to force. Optical tweezers and atomic force microscopy offer exquisite force and extension resolution, but cannot reach the high loading rates expected for high frequency auditory stimuli. Molecular dynamics (MD) simulations can reach these fast time scales, and also provide a unique view of the molecular events underlying protein mechanics, but its predictions must be experimentally verified. Thus a combination of simulations and experiments might be appropriate to study the molecular mechanics of hearing. Here I review the basics of MD simulations and the different methods used to apply force and study protein mechanics in silico. Simulations of tip link proteins are used to illustrate the advantages and limitations of this method.

Quantum Hall states of atomic Bose gases: Density profiles in single-layer and multilayer geometries

International Nuclear Information System (INIS)

Cooper, N. R.; Lankvelt, F. J. M. van; Reijnders, J. W.; Schoutens, K.

2005-01-01

We describe the density profiles of confined atomic Bose gases in the high-rotation limit, in single-layer and multilayer geometries. We show that, in a local-density approximation, the density in a single layer shows a landscape of quantized steps due to the formation of incompressible liquids, which are analogous to fractional quantum Hall liquids for a two-dimensional electron gas in a strong magnetic field. In a multilayered setup we find different phases, depending on the strength of the interlayer tunneling t. We discuss the situation where a vortex lattice in the three-dimensional condensate (at large tunneling) undergoes quantum melting at a critical tunneling t c 1 . For tunneling well below t c 1 one expects weakly coupled or isolated layers, each exhibiting a landscape of quantum Hall liquids. After expansion, this gives a radial density distribution with characteristic features (cusps) that provide experimental signatures of the quantum Hall liquids

Raman and electronic transport characterization of few- and single-layer-thick α-RuCl3

Science.gov (United States)

Zhou, Boyi; Henriksen, Erik

The layered magnetic semiconductor α-RuCl3, having a honeycomb lattice of spin-1/2 moments, has been identified as a potential candidate material to realize the Kitaev quantum spin liquid. In particular, bulk RuCl3 crystals have been studied and found to be on the cusp of manifesting QSL behavior. As the QSL is primarily a two-dimensional phenomenon, and since the layers of RuCl3 are weakly coupled, we propose to create and study a 2D spin-1/2 honeycomb system by isolating single sheets. Here we report the exfoliation of RuCl3 down to few- and single-layer-thick samples, which we characterize by Raman spectroscopy and atomic force microscopy at room temperature. We will also report our progress on measurements of basic electronic transport properties in the 2D RuCl3 system by controlling the chemical potential via gating in a field-effect configuration.

Magneto-electroluminescence effects in the single-layer organic light-emitting devices with macrocyclic aromatic hydrocarbons

Directory of Open Access Journals (Sweden)

S.-T. Pham

2018-02-01

Full Text Available Magneto-electroluminescence (MEL effects are observed in single-layer organic light-emitting devices (OLEDs comprising only macrocyclic aromatic hydrocarbons (MAHs. The fluorescence devices were prepared using synthesized MAHs, namely, [n]cyclo-meta-phenylene ([n]CMP, n = 5, 6. The MEL ratio of the resulting OLED is 1%–2% in the spectral wavelength range of 400-500 nm, whereas it becomes negative (−1.5% to −2% in the range from 650 to 700 nm. The possible physical origins of the sign change in the MEL are discussed. This wavelength-dependent sign change in the MEL ratio could be a unique function for future single-layer OLEDs capable of magnetic-field-induced color changes.

Magneto-electroluminescence effects in the single-layer organic light-emitting devices with macrocyclic aromatic hydrocarbons

Science.gov (United States)

Pham, S.-T.; Ikemoto, K.; Suzuki, K. Z.; Izumi, T.; Taka, H.; Kita, H.; Sato, S.; Isobe, H.; Mizukami, S.

2018-02-01

Magneto-electroluminescence (MEL) effects are observed in single-layer organic light-emitting devices (OLEDs) comprising only macrocyclic aromatic hydrocarbons (MAHs). The fluorescence devices were prepared using synthesized MAHs, namely, [n]cyclo-meta-phenylene ([n]CMP, n = 5, 6). The MEL ratio of the resulting OLED is 1%-2% in the spectral wavelength range of 400-500 nm, whereas it becomes negative (-1.5% to -2%) in the range from 650 to 700 nm. The possible physical origins of the sign change in the MEL are discussed. This wavelength-dependent sign change in the MEL ratio could be a unique function for future single-layer OLEDs capable of magnetic-field-induced color changes.

Electrochemistry of single molecules and biomolecules, molecular scale nanostructures, and low-dimensional systems

DEFF Research Database (Denmark)

Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Zinkicheva, Tamara T.

2018-01-01

Electrochemistry at ultra-small scales, where even the single molecule or biomolecule can be characterized and manipulated, is on the way to a consolidated status. At the same time molecular electrochemistry is expanding into other areas of sophisticated nano- and molecular scale systems includin...... molecular scale metal and semiconductor nanoparticles (NPs) and other nanostructures, e.g. nanotubes, “nanoflowers” etc.. The new structures offer both new electronic properties and highly confined novel charge transfer environments....

Self-induced inverse spin-Hall effect in an iron and a cobalt single-layer films themselves under the ferromagnetic resonance

Science.gov (United States)

Kanagawa, Kazunari; Teki, Yoshio; Shikoh, Eiji

2018-05-01

The inverse spin-Hall effect (ISHE) is produced even in a "single-layer" ferromagnetic material film. Previously, the self-induced ISHE in a Ni80Fe20 film under the ferromagnetic resonance (FMR) was discovered. In this study, we observed an electromotive force (EMF) in an iron (Fe) and a cobalt (Co) single-layer films themselves under the FMR. As origins of the EMFs in the films themselves, the ISHE was main for Fe and dominant for Co, respectively 2 and 18 times larger than the anomalous Hall effect. Thus, we demonstrated the self-induced ISHE in an Fe and a Co single-layer films themselves under the FMR.

Molecular dynamics simulation of heat transfer through a water layer between two platinum slabs

International Nuclear Information System (INIS)

Iype, E; Arlemark, E J; Nedea, S V; Rindt, C C M; Zondag, H A

2012-01-01

Heat transfer through micro channels is being investigated due to its importance in micro channel cooling applications. Molecular dynamics simulation is regarded as a potential tool for studying such microscopic phenomena in detail. However, the applicability of molecular dynamics method is limited due to scarcely known inter atomic interactions involved in complex fluids. In this study we use an empirical force field (ReaxFF), which is parameterized using accurate quantum chemical simulation results for water, to simulate heat transfer phenomena through a layer of water confined between two platinum slabs. The model for water seems to reproduce the macroscopic properties such as density, radial distribution function and diffusivity quite well. The heat transfer phenomena through a channel filled with water, which is confined by two platinum (100) surfaces are studied using ReaxFF. The model accurately predicts the formation of surface mono-layer. The heat transfer analysis shows temperature jumps near the walls which are creating significant heat transfer resistances. A low bulk density in the channel creates a multi-phase region with vapor transport in the region.

Identification of the Viscous Superlayer on the Low-Speed Side of a Single-Stream Shear Layer

Science.gov (United States)

Foss, John; Peabody, Jason

2010-11-01

Image pairs (elevation/plan views) have been acquired of a smoke streakline originating in the irrotational region on the low-speed side of a high Re single-stream shear layer of Morris and Foss (2003). The viscous superlayer (VSL) is identified as the terminus of the streak; 1800 such images provide VSL position statistics. Hot-wire data acquired concurrently at the shear layer edge and interior are used to investigate the relationship between these velocity magnitudes and the large-scale motions. Distinctive features (plumes) along the streakline are tracked between images to provide discrete irrotational region velocity magnitudes and material trajectories. A non-diffusive marker, introduced in the separating (high speed) boundary layer and imaged at x/θo=352, has revealed an unexpected bias in the streak-defined VSL locations. The interpretation of this bias clarifies the induced flow patterns in the entrainment region. The observations are consistent with a conception of the large-scale shear layer motions as "billows" of vortical fluid separated by re-entrant "wedges" of irrotational fluid, per Phillips (1972). Morris, S.C. and Foss, J.F. (2003). "Turbulent Boundary Layer to Single Stream Shear Layer: The Transition Region." Journal of Fluid Mechanics. Vol. 494, pp. 187-221. Phillips, O. M. (1972). "The Entrainment Interface." Journal of Fluid Mechanics. Vol. 51, pp. 97-118.

Molecular beam epitaxy grown Ge/Si pin layer sequence for photonic devices

International Nuclear Information System (INIS)

Schulze, J.; Oehme, M.; Werner, J.

2012-01-01

A key challenge to obtain a convergence of classical Si-based microelectronics and optoelectronics is the manufacturing of photonic integrated circuits integrable into classical Si-based integrated circuits. This integration would be greatly enhanced if similar facilities and technologies could be used. Therefore one approach is the development of optoelectronic components and devices made from group-IV-based materials such as SiGe, Ge or Ge:Sn. In this paper the optoelectronic performances of a pin diode made from a Ge/Si heterostructure pin layer sequence grown by molecular beam epitaxy are discussed. After a detailed description of the layer sequence growth and the device manufacturing process it will be shown that – depending on the chosen operating point and device design – the diode serves as a broadband high speed photo detector, Franz–Keldysh effect modulator or light emitting diode.

Molecular beam epitaxy grown Ge/Si pin layer sequence for photonic devices

Energy Technology Data Exchange (ETDEWEB)

Schulze, J., E-mail: schulze@iht.uni-stuttgart.de; Oehme, M.; Werner, J.

2012-02-01

A key challenge to obtain a convergence of classical Si-based microelectronics and optoelectronics is the manufacturing of photonic integrated circuits integrable into classical Si-based integrated circuits. This integration would be greatly enhanced if similar facilities and technologies could be used. Therefore one approach is the development of optoelectronic components and devices made from group-IV-based materials such as SiGe, Ge or Ge:Sn. In this paper the optoelectronic performances of a pin diode made from a Ge/Si heterostructure pin layer sequence grown by molecular beam epitaxy are discussed. After a detailed description of the layer sequence growth and the device manufacturing process it will be shown that - depending on the chosen operating point and device design - the diode serves as a broadband high speed photo detector, Franz-Keldysh effect modulator or light emitting diode.

Characterization of InGaGdN layers prepared by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Tawil, Siti Nooraya Mohd [Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihagaoka, Ibaraki, 567-0047 Osaka (Japan); Faculty of Electrical and Electronic Engineering, Tun Hussein Onn University of Malaysia, 86400 Batu Pahat Johor (Malaysia); Kakimi, Rina; Krishnamurthy, Daivasigamani; Emura, Shuichi; Tambo, Hiroyuki; Hasegawa, Shigehiko; Asahi, Hajime [Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihagaoka, Ibaraki, 567-0047 Osaka (Japan)

2010-11-15

Gd-doped InGaN layers were prepared by plasma-assisted molecular-beam epitaxy in search of new functional diluted magnetic semiconductors for their potential use in spintronics. The local structure around the Gd atoms was examined by the Gd L{sub III}-edge of X-ray absorption fine structure. It was found that the majority of Gd atoms substitutionally occupied the cation sites in the InGaGdN layers. Clear hysteresis and saturation magnetization were observed from the magnetization versus field curves examined by means of a superconducting quantum interference device magnetometer at low and room temperatures. In addition, the incorporation of extra shallow donors by co-doping InGaN with both Gd and Si showed higher magnetization than the undoped InGaGdN. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Valley polarization in magnetically doped single-layer transition-metal dichalcogenides

KAUST Repository

Cheng, Yingchun

2014-04-28

We demonstrate that valley polarization can be induced and controlled in semiconducting single-layer transition-metal dichalcogenides by magnetic doping, which is important for spintronics, valleytronics, and photonics devices. As an example, we investigate Mn-doped MoS2 by first-principles calculations. We study how the valley polarization depends on the strength of the spin orbit coupling and the exchange interaction and discuss how it can be controlled by magnetic doping. Valley polarization by magnetic doping is also expected for other honeycomb materials with strong spin orbit coupling and the absence of inversion symmetry.

Variable contact gap single-molecule conductance determination for a series of conjugated molecular bridges

DEFF Research Database (Denmark)

Haiss, W.; Wang, Christian; Jitchati, R.

2008-01-01

It is now becoming clear that the characteristics of the whole junction are important in determining the conductance of single molecules bound between two metal contacts. This paper shows through measurements on a series of seven conjugated molecular bridges that contact separation is an importan...... that conductance increases rather dramatically at higher tilt angle away from the normal for conformationally rigid molecular wires and that this increase in conductance arises from increased electronic coupling between the molecular bridge and the gold contacts.......It is now becoming clear that the characteristics of the whole junction are important in determining the conductance of single molecules bound between two metal contacts. This paper shows through measurements on a series of seven conjugated molecular bridges that contact separation is an important......-distance curves and knowledge of the terminal to terminal length of the molecular wire. The contact gap separation dependence is interpreted as arising from tilting of these molecules in the junction and this model is underpinned by ab initio transport computations. In this respect we make the general observation...

Engineering of an ultra-thin molecular superconductor by charge transfer

Science.gov (United States)

Hla, Saw Wai; Hassanien, Abdelrahim; Kendal, Clark

2016-06-07

A method of forming a superconductive device of a single layer of (BETS).sub.2GaCl.sub.4 molecules on a substrate surface which displays a superconducting gap that increases exponentially with the length of the molecular chain is provided.

Spin-dependent electron-phonon coupling in the valence band of single-layer WS₂

DEFF Research Database (Denmark)

Hinsche, Nicki Frank; Ngankeu, Arlette S.; Guilloy, Kevin

2017-01-01

The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single-layer transition-metal dichalchogenides such as MoS2 or WS2. This permits a direct comparison of the electron-phonon coupling strength in states that only differ by their spin....... Here, the electron-phonon coupling in the valence band maximum of single-layer WS2 is studied by first-principles calculations and angle-resolved photoemission. The coupling strength is found to be drastically different for the two spin-split branches, with calculated values of λK=0.0021 and 0.......40 for the upper and lower spin-split valence band of the freestanding layer, respectively. This difference is somewhat reduced when including scattering processes involving the Au(111) substrate present in the experiment but it remains significant, in good agreement with the experimental results....

The structure and assembly of surface layer proteins : a combined approach of in silico and experimental methods

International Nuclear Information System (INIS)

Horejs, C.

2011-01-01

Self-assembly of matter is one of nature's most sophisticated strategies to organize molecules on a large scale and to create order from disorder. Surface (S-)layer proteins self-assemble in a highly reproducible and robust fashion in order to form crystalline layers that completely cover and protect prokaryotic cells. Long conserved during evolution, S-layers constitute a unique model system to study the molecular mechanisms of functional self-assembly, while additionally, they provide a basic matrix for the specific construction of ordered nanostructures. Due to their intrinsic capabilities to self-assemble into two-dimensional crystals, the elucidation of the three-dimensional structure of single S-layer proteins demands an approach beyond conventional structure determination methods. In this work, computer simulations were combined with experimental techniques in order to study the structure and intra- and intermolecular potentials guiding the proteins to self-assemble into lattices with different symmetries. Molecular dynamics, Monte Carlo methods, small-angle X-ray scattering involving a new theoretical description, and AFM-based single-molecule force spectroscopy yield new insights into the three-dimensional structure of S-layer proteins, the location, type and distribution of amino acids in S-layer lattices, the molecular mechanisms behind the self-assembly process, the mechanical stability and adaptive structural conformations that S-layer proteins are able to establish. In silico studies - embedded in an adequate experimental and theoretical scaffold - offer the possibility to calculate structural and thermodynamic features of proteins, while this work demonstrates the growing impact of such theoretical techniques in the fascinating field of biophysics at the nano-scale. (author) [de

Experimental thermodynamics of single molecular motor.

Science.gov (United States)

Toyabe, Shoichi; Muneyuki, Eiro

2013-01-01

Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor.

Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus.

Science.gov (United States)

Rudenko, A N; Brener, S; Katsnelson, M I

2016-06-17

We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to the scattering by flexural phonons dominate at any practically relevant temperatures and are independent of the carrier concentration n, two-phonon scattering in BP is less important and can be considered negligible at n≳10^{13}  cm^{-2}. At smaller n, however, phonons enter in the essentially anharmonic regime. Compared to the hole mobility, which does not exhibit strong anisotropy between the principal directions of BP (μ_{xx}/μ_{yy}∼1.4 at n=10^{13} cm^{-2} and T=300  K), the electron mobility is found to be significantly more anisotropic (μ_{xx}/μ_{yy}∼6.2). Absolute values of μ_{xx} do not exceed 250 (700)  cm^{2} V^{-1} s^{-1} for holes (electrons), which can be considered as an upper limit for the mobility in BP at room temperature.

Transition from single to multiple double layers

International Nuclear Information System (INIS)

Chan, C.; Hershkowitz, N.

1982-01-01

It is shown that laboratory double layers become multiple double layers when the ratio of Debye length to system length is decreased. This result exhibits characteristics described by boundary layer theory

Roles of molecular layer interneurons in sensory information processing in mouse cerebellar cortex Crus II in vivo.

Directory of Open Access Journals (Sweden)

Chun-Ping Chu

Full Text Available Cerebellar cortical molecular layer interneurons (MLIs play essential roles in sensory information processing by the cerebellar cortex. However, recent experimental and modeling results are questioning traditional roles for molecular layer inhibition in the cerebellum.Synaptic responses of MLIs and Purkinje cells (PCs, evoked by air-puff stimulation of the ipsilateral whisker pad were recorded from cerebellar cortex Crus II in urethane-anesthetized ICR mice by in vivo whole-cell patch-clamp recording techniques. Under current-clamp (I = 0, air-puff stimuli were found to primarily produce inhibition in PCs. In MLIs, this stimulus evoked spike firing regardless of whether they made basket-type synaptic connections or not. However, MLIs not making basket-type synaptic connections had higher rates of background activity and also generated spontaneous spike-lets. Under voltage-clamp conditions, excitatory postsynaptic currents (EPSCs were recorded in MLIs, although the predominant response of recorded PCs was an inhibitory postsynaptic potential (IPSP. The latencies of EPSCs were similar for all MLIs, but the time course and amplitude of EPSCs varied with depth in the molecular layer. The highest amplitude, shortest duration EPSCs were recorded from MLIs deep in the molecular layer, which also made basket-type synaptic connections. Comparing MLI to PC responses, time to peak of PC IPSP was significantly slower than MLI recorded EPSCs. Blocking GABA(A receptors uncovered larger EPSCs in PCs whose time to peak, half-width and 10-90% rising time were also significantly slower than in MLIs. Biocytin labeling indicated that the MLIs (but not PCs are dye-coupled.These findings indicate that tactile face stimulation evokes rapid excitation in MLIs and inhibition occurring at later latencies in PCs in mouse cerebellar cortex Crus II. These results support previous suggestions that the lack of parallel fiber driven PC activity is due to the effect

Molecular analysis of single oocyst of Eimeria by whole genome amplification (WGA) based nested PCR.

Science.gov (United States)

Wang, Yunzhou; Tao, Geru; Cui, Yujuan; Lv, Qiyao; Xie, Li; Li, Yuan; Suo, Xun; Qin, Yinghe; Xiao, Lihua; Liu, Xianyong

2014-09-01

PCR-based molecular tools are widely used for the identification and characterization of protozoa. Here we report the molecular analysis of Eimeria species using combined methods of whole genome amplification (WGA) and nested PCR. Single oocyst of Eimeria stiedai or Eimeriamedia was directly used for random amplification of the genomic DNA with either primer extension preamplification (PEP) or multiple displacement amplification (MDA), and then the WGA product was used as template in nested PCR with species-specific primers for ITS-1, 18S rDNA and 23S rDNA of E. stiedai and E. media. WGA-based PCR was successful for the amplification of these genes from single oocyst. For the species identification of single oocyst isolated from mixed E. stiedai or E. media, the results from WGA-based PCR were exactly in accordance with those from morphological identification, suggesting the availability of this method in molecular analysis of eimerian parasites at the single oocyst level. WGA-based PCR method can also be applied for the identification and genetic characterization of other protists. Copyright © 2014 Elsevier Inc. All rights reserved.

Suppression of superconductivity in a single Pb layer on Ag/Si(111)

Energy Technology Data Exchange (ETDEWEB)

Leon-Vanegas, Augusto; Kirschner, Juergen [Max Plank Instituet fuer Mikrostukturphysik (Germany); Martin Luther Univeristaet, Halle-Wittenberg (Germany); Caminale, Michael; Stepniak, Agnieszka; Oka, Hirofumi; Sanna, Antonio; Linscheid, Andreas; Sander, Dirk [Max Plank Instituet fuer Mikrostukturphysik (Germany)

2015-07-01

Recently, superconductivity was reported in a single layer of Pb on Si(111) with a critical temperature of 1.83 K. It has been proposed that the interaction of Pb with the Si substrate provides the electron phonon coupling to support superconductivity in this system. We have used a {sup 3}He-cooled STM with a vector magnetic field to study the effect of insertion of a Ag interlayer on the superconducting properties of a single Pb layer on Si(111). In contrast to the experiments on Pb/Si(111), the differential conductance of Pb/Ag/Si(111) does not show a gap indicative of superconductivity even at the lowest experimental temperature of 0.38 K. We ascribe this to the suppression of superconductivity. This result is explained by means of ab-initio calculations, showing that the effect of a chemical hybridization between Pb and Ag/Si occurring at the Fermi level dramatically reduces the strength of the electron phonon coupling. This contrasts with the case of Pb/Si(111), where no overlap between Pb and Si electronic states at the Fermi level is found in the calculations.

Integrated circuits and logic operations based on single-layer MoS2.

Science.gov (United States)

Radisavljevic, Branimir; Whitwick, Michael Brian; Kis, Andras

2011-12-27

Logic circuits and the ability to amplify electrical signals form the functional backbone of electronics along with the possibility to integrate multiple elements on the same chip. The miniaturization of electronic circuits is expected to reach fundamental limits in the near future. Two-dimensional materials such as single-layer MoS(2) represent the ultimate limit of miniaturization in the vertical dimension, are interesting as building blocks of low-power nanoelectronic devices, and are suitable for integration due to their planar geometry. Because they are less than 1 nm thin, 2D materials in transistors could also lead to reduced short channel effects and result in fabrication of smaller and more power-efficient transistors. Here, we report on the first integrated circuit based on a two-dimensional semiconductor MoS(2). Our integrated circuits are capable of operating as inverters, converting logical "1" into logical "0", with room-temperature voltage gain higher than 1, making them suitable for incorporation into digital circuits. We also show that electrical circuits composed of single-layer MoS(2) transistors are capable of performing the NOR logic operation, the basis from which all logical operations and full digital functionality can be deduced.

Water transport and desalination through double-layer graphyne membranes.

Science.gov (United States)

Akhavan, Mojdeh; Schofield, Jeremy; Jalili, Seifollah

2018-05-16

Non-equilibrium molecular dynamics simulations of water-salt solutions driven through single and double-layer graphyne membranes by a pressure difference created by rigid pistons are carried out to determine the relative performance of the membranes as filters in a reverse osmosis desalination process. It is found that the flow rate of water through a graphyne-4 membrane is twice that of a graphyne-3 membrane for both single and double-layer membranes. Although the addition of a second layer to a single-layer membrane reduces the membrane permeability, the double-layer graphyne membranes are still two or three orders of magnitude more permeable than commercial reverse osmosis membranes. The minimum reduction in flow rate for double-layer membranes occurs at a layer spacing of 0.35 nm with an AA stacking configuration, while at a spacing of 0.6 nm the flow rate is close to zero due to a high free energy barrier for permeation. This is caused by the difference in the environments on either side of the membrane sheets and the formation of a compact two-dimensional layer of water molecules in the interlayer space which slows down water permeation. The distribution of residence times of water molecules in the interlayer region suggests that at the critical layer spacing of 0.6 nm, a cross-over occurs in the mechanism of water flow from the collective movement of hydrogen-bonded water sheets to the permeation of individual water molecules. All membranes are demonstrated to have a high salt rejection fraction and the double-layered graphyne-4 membranes can further increase the salt rejection by trapping ions that have passed through the first membrane from the feed solution in the interlayer space.

Thermal barrier coatings with a double-layer bond coat on Ni{sub 3}Al based single-crystal superalloy

Energy Technology Data Exchange (ETDEWEB)

Zhou, Xin [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Beijing Institute of Aeronautical Materials, Department 5, P.O. Box 81-5, Beijing 100095 (China); Xu, Zhenhua; Mu, Rende [Beijing Institute of Aeronautical Materials, Department 5, P.O. Box 81-5, Beijing 100095 (China); He, Limin, E-mail: he_limin@yahoo.com [Beijing Institute of Aeronautical Materials, Department 5, P.O. Box 81-5, Beijing 100095 (China); Huang, Guanghong [Beijing Institute of Aeronautical Materials, Department 5, P.O. Box 81-5, Beijing 100095 (China); Cao, Xueqiang, E-mail: xcao@ciac.ac.cn [State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

2014-04-05

Highlights: • Thermal barrier coatings with a double-layer bond coat of (Ni,Pt)Al and NiCrAlYSi. • Good adherence at all interfaces within TBC system. • The underlying (Ni,Pt)Al layer can supply abundant Al content for the upper NiCrAlYSi layer. • Crack nucleation, propagation and coalescence lead to the failure of coating. -- Abstract: Electron-beam physical vapor deposited thermal barrier coatings (TBCs) with a double-layer bond coat of (Ni,Pt)Al and NiCrAlYSi were prepared on a Ni{sub 3}Al based single-crystal superalloy. Phase and cross-sectional microstructure of the developed coatings were studied by using X-ray diffraction (XRD) and scanning electron microscope (SEM), respectively. The experimental results show good adherence at all interfaces within this system. Furthermore, oxidation resistance and elements interdiffusion behavior of the double-layer bond coat were also investigated. The double-layer bond coat system exhibits a better scale adherence than the single layer bond coat systems since the underlying (Ni,Pt)Al layer can supply abundant Al for the upper NiCrAlYSi layer. Finally, thermal cycling behavior of the double-layer bond coat TBC was evaluated and the failure mechanism was discussed. Crack nucleation, propagation and coalescence caused by TGO growth stress and the thermal expansion mismatch stress between TGO and bond coat can be mainly responsible for the spallation of this coating.

Layer-by-Layer Enabled Nanomaterials for Chemical Sensing and Energy Conversion

Science.gov (United States)

Paterno, Leonardo G.; Soler, Maria A. G.

2013-06-01

The layer-by-layer (LbL) technique is a wet chemical method for the assembly of ultrathin films, with thicknesses up to 100 nm. This method is based on the successive transfer of molecular layers to a solid substrate that is dipped into cationic and anionic solutions in an alternating fashion. The adsorption is mainly driven by electrostatic interactions so that many molecular and nanomaterial systems can be engineered under this method. Moreover, it is inexpensive, can be easily performed, and does not demand sophisticated equipment or clean rooms. The most explored use of the LbL technique is to build up molecular devices for chemical sensing and energy conversion. Both applications require ultrathin films where specific elements must be organized with high control of thickness and spatial distribution, preferably in the nanolength and mesolength scales. In chemical sensors, the LbL technique is employed to assemble specific sensoactive materials such as conjugated polymers, enzymes, and immunological elements onto appropriated electrodes. Molecular recognition events are thus transduced by the assembled sensoactive layer. In energy-conversion devices, the LbL technique can be employed to fabricate different device's parts including electrodes, active layers, and auxiliary layers. In both applications, the devices' performance can be fully modulated and improved by simply varying film thickness and molecular architecture. The present review article highlights the main features of the LbL technique and provides a brief description of different (bio)chemical sensors, solar cells, and organic light-emitting diodes enabled by the LbL approach.

Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

Science.gov (United States)

Vitali, Lucia; Fabris, Stefano; Conte, Adriano Mosca; Brink, Susan; Ruben, Mario; Baroni, Stefano; Kern, Klaus

2008-10-01

The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure and the large spin magnetic moment of the metal center. The 4f electron states are not perturbed by the adsorption while a strong molecular/metal interaction can induce the suppression of the minor spin contribution delocalized over the molecular ligands. The calculations show that the inherent spin magnetic moment of the molecule is only weakly affected by the interaction with the surface and suggest that the SMM character might be preserved.

Fabrication of Thermo-Responsive Molecular Layers from Self-Assembling Elastin-Like Oligopeptides Containing Cell-Binding Domain for Tissue Engineering

Directory of Open Access Journals (Sweden)

Tomoyuki Koga

2015-01-01

Full Text Available Novel thermo-responsive elastin-like oligopeptides containing cell-binding epitope (Arg-Gly-Asp-Ser sequence; arginine-glycine-aspartic acid-serine (RGDS-elastin-like peptides (ELP and RGDS-deg-ELP; were newly prepared as building blocks of self-assembled molecular layer for artificial extra cellular matrix. A detailed analysis of the conformation of the oligo(ELPs in water and their self-assembling behavior onto hydrophobic surfaces were performed by using circular dichroism, Fourier transform infrared spectroscopy (FTIR, atomic force microscopy and water contact angle measurements. The experimental results revealed that both oligo(ELPs self-assembled onto hydrophobic surfaces and formed molecular layers based on their thermo-responsive conformational change from hydrous random coil to dehydrated β-turn structure. Effective cell adhesion and spreading behaviors were observed on these self-assembled oligo(ELP layers. In addition, attached cells were found to be recovered successfully as a cell-sheet by temperature-induced disassembly of oligo(ELP layer. This achievement provides an important insight to construct novel oligopeptide-based nano-surfaces for the design of smart artificial extra-cellular matrix.

Calculation of inter-plane thermal resistance of few-layer graphene from equilibrium molecular dynamics simulations

International Nuclear Information System (INIS)

Ni, Y; Chalopin, Y; Volz, S

2012-01-01

Inter-plane thermal resistance in 5-layer graphene is calculated from equilibrium molecular dynamics (EMD) by calculating the autocorrelation function of temperature difference. Our simulated inter-plane resistance for 5-layer graphene is 4.83 × 10 −9 m 2 K/W. This data is in the same order of magnitude with the reported values from NEMD simulations and Debye model calculations, and the possible reasons for the slight differences are discussed in details. The inter-plane resistance is not dependent on temperature, according to the results of the EMD simulation. Phonon density of states (DOSs) were plotted to better understand the mechanism behind the obtained values. These results provide a better insight in the heat transfer across a few layer graphene and yield useful information on the design of graphene based thermal materials.

Self-assembly surface modified indium-tin oxide anodes for single-layer light-emitting diodes

CERN Document Server

Morgado, J; Charas, A; Matos, M; Alcacer, L; Cacialli, F

2003-01-01

We study the effect of indium-tin oxide surface modification by self assembling of highly polar molecules on the performance of single-layer light-emitting diodes (LEDs) fabricated with polyfluorene blends and aluminium cathodes. We find that the efficiency and light-output of such LEDs is comparable to, and sometimes better than, the values obtained for LEDs incorporating a hole injection layer of poly(3,4-ethylene dioxythiophene) doped with polystyrene sulphonic acid. This effect is attributed to the dipole-induced work function modification of indium-tin oxide.

Self-assembly surface modified indium-tin oxide anodes for single-layer light-emitting diodes

International Nuclear Information System (INIS)

Morgado, Jorge; Barbagallo, Nunzio; Charas, Ana; Matos, Manuel; Alcacer, Luis; Cacialli, Franco

2003-01-01

We study the effect of indium-tin oxide surface modification by self assembling of highly polar molecules on the performance of single-layer light-emitting diodes (LEDs) fabricated with polyfluorene blends and aluminium cathodes. We find that the efficiency and light-output of such LEDs is comparable to, and sometimes better than, the values obtained for LEDs incorporating a hole injection layer of poly(3,4-ethylene dioxythiophene) doped with polystyrene sulphonic acid. This effect is attributed to the dipole-induced work function modification of indium-tin oxide

Analysis of Strain and Intermixing in a Single Layer Ge/Si dots using polarized Raman Spectroscopy

OpenAIRE

PEROVA, TANIA; MOORE, ROBERT

2006-01-01

PUBLISHED The built-in strain and composition of as-grown and Si-capped single layers of Ge?Si dots grown at various temperatures (460?800 ?C) are studied by a comparative analysis of the Ge-Ge and Si-Ge modes in the polarized Raman spectra of the dots. A pronounced reduction of the strain and Ge content in the dots after deposition of the cap layer at low temperatures is observed, indicating that strain-induced Si diffusion from the cap layer is occurring. For large dots grown at 700?800...

Growing vertical ZnO nanorod arrays within graphite: efficient isolation of large size and high quality single-layer graphene.

Science.gov (United States)

Ding, Ling; E, Yifeng; Fan, Louzhen; Yang, Shihe

2013-07-18

We report a unique strategy for efficiently exfoliating large size and high quality single-layer graphene directly from graphite into DMF dispersions by growing ZnO nanorod arrays between the graphene layers in graphite.

Single layer and multilayer vacuum-arc coatings based on the nitride TiAlSiYN: composition, structure, properties

International Nuclear Information System (INIS)

Beresnev, V.M.; Litovchenko, S.V.; Nemchenko, U.S.; Srebnyuk, P.A.; Mazilin, B.A.; Sobol, O.V.; Mejlekhov, A.A.; Barmin, A.E.; Serenko, TA.; Pogrebnyak, A.D.; Ivanov, O.N.; Kritsyna, E.V.; Stolbovoj, V.A.; Novikov, V.Yu.; Malikov, L.V.

2017-01-01

Using high-technological vacuum-arc evaporation in the atmosphere of nitrogen with ion bombardment, single- and multilayer coatings based on TiAlSiYN with high mechanical characteristics were obtained: hardness of the coatings reached 49.5 GPa, resistance to wear, with the value of the critical point L_C_5 reaching 184.92 N. The peculiarities of radiation-induced effect at applying bias potential U_b were found: formation of nitride coatings based on fcc metallic lattice with the preferred orientation of crystallites with the texture axis [111], as well as simultaneous growth of hardness. Hardness of both single- and multilayer coatings increases by 40...50% at the increase of U_b from 50 to 200 V. Formation of silicon-containing layers of TiAlSiYN during the deposition contributes to reaching increased hardness, which, in the case of single-layer coating obtained at U_b = -200 V is 49.5 GPa, which corresponds to superhard state. The mechanisms of structure formation, defining the resulting mechanical characteristics of single- and multi-layer coatings based on TiAlSiYN nitride have been discussed.

Simple single-emitting layer hybrid white organic light emitting with high color stability

Science.gov (United States)

Nguyen, C.; Lu, Z. H.

2017-10-01

Simultaneously achieving a high efficiency and color quality at luminance levels required for solid-state lighting has been difficult for white organic light emitting diodes (OLEDs). Single-emitting layer (SEL) white OLEDs, in particular, exhibit a significant tradeoff between efficiency and color stability. Furthermore, despite the simplicity of SEL white OLEDs being its main advantage, the reported device structures are often complicated by the use of multiple blocking layers. In this paper, we report a highly simplified three-layered white OLED that achieves a low turn-on voltage of 2.7 V, an external quantum efficiency of 18.9% and power efficiency of 30 lm/W at 1000 cd/cm2. This simple white OLED also shows good color quality with a color rendering index of 75, CIE coordinates (0.42, 0.46), and little color shifting at high luminance. The device consists of a SEL sandwiched between a hole transport layer and an electron transport layer. The SEL comprises a thermally activated delayer fluorescent molecule having dual functions as a blue emitter and as a host for other lower energy emitters. The improved color stability and efficiency in such a simple device structure is explained as due to the elimination of significant energy barriers at various organic-organic interfaces in the traditional devices having multiple blocking layers.

Preparation and coherent manipulation of pure quantum states of a single molecular ion

Science.gov (United States)

Chou, Chin-Wen; Kurz, Christoph; Hume, David B.; Plessow, Philipp N.; Leibrandt, David R.; Leibfried, Dietrich

2017-05-01

Laser cooling and trapping of atoms and atomic ions has led to advances including the observation of exotic phases of matter, the development of precision sensors and state-of-the-art atomic clocks. The same level of control in molecules could also lead to important developments such as controlled chemical reactions and sensitive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecules pose a challenge for controlling their quantum mechanical states. Here we use quantum-logic spectroscopy, which maps quantum information between two ion species, to prepare and non-destructively detect quantum mechanical states in molecular ions. We develop a general technique for optical pumping and preparation of the molecule into a pure initial state. This enables us to observe high-resolution spectra in a single ion (CaH+) and coherent phenomena such as Rabi flopping and Ramsey fringes. The protocol requires a single, far-off-resonant laser that is not specific to the molecule, so many other molecular ions, including polyatomic species, could be treated using the same methods in the same apparatus by changing the molecular source. Combined with the long interrogation times afforded by ion traps, a broad range of molecular ions could be studied with unprecedented control and precision. Our technique thus represents a critical step towards applications such as precision molecular spectroscopy, stringent tests of fundamental physics, quantum computing and precision control of molecular dynamics.

Modeling Transverse Cracking in Laminates With a Single Layer of Elements Per Ply

Science.gov (United States)

Van Der Meer, Frans P.; Davila, Carlos G.

2012-01-01

The objective of the present paper is to investigate the ability of mesolevel X-FEM models with a single layer of elements per ply to capture accurately all aspects of matrix cracking. In particular, we examine whether the model can predict the insitu ply thickness effect on crack initiation and propagation, the crack density as a function of strain, the strain for crack saturation, and the interaction between delamination and transverse cracks. Results reveal that the simplified model does not capture correctly the shear-lag relaxation of the stress field on either side of a crack, which leads to an overprediction of the crack density. It is also shown, however, that after onset of delamination many of the inserted matrix cracks close again, and that the density of open cracks becomes similar to the density predicted by the detailed model. The degree to which the spurious cracks affect the global response is quantified and the reliability of the mesolevel approach with a single layer of elements per ply is discussed.

Molecular Doping of the Hole-Transporting Layer for Efficient, Single-Step Deposited Colloidal Quantum Dot Photovoltaics

KAUST Repository

Kirmani, Ahmad R.; Garcia de Arquer, F. Pelayo; Fan, James Z.; Khan, Jafar Iqbal; Walters, Grant; Hoogland, Sjoerd; Wehbe, Nimer; Said, Marcel M.; Barlow, Stephen; Laquai, Fré dé ric; Marder, Seth R.; Sargent, Edward H.; Amassian, Aram

2017-01-01

solar cells. These promising architectures employ a QD hole-transporting layer (HTL) whose intrinsically shallow Fermi level (EF) restricts band-bending at maximum power-point during solar cell operation limiting charge collection. Here, we demonstrate a

Dimensions and Global Twist of Single-Layer DNA Origami Measured by Small-Angle X-ray Scattering.

Science.gov (United States)

Baker, Matthew A B; Tuckwell, Andrew J; Berengut, Jonathan F; Bath, Jonathan; Benn, Florence; Duff, Anthony P; Whitten, Andrew E; Dunn, Katherine E; Hynson, Robert M; Turberfield, Andrew J; Lee, Lawrence K

2018-06-04

The rational design of complementary DNA sequences can be used to create nanostructures that self-assemble with nanometer precision. DNA nanostructures have been imaged by atomic force microscopy and electron microscopy. Small-angle X-ray scattering (SAXS) provides complementary structural information on the ensemble-averaged state of DNA nanostructures in solution. Here we demonstrate that SAXS can distinguish between different single-layer DNA origami tiles that look identical when immobilized on a mica surface and imaged with atomic force microscopy. We use SAXS to quantify the magnitude of global twist of DNA origami tiles with different crossover periodicities: these measurements highlight the extreme structural sensitivity of single-layer origami to the location of strand crossovers. We also use SAXS to quantify the distance between pairs of gold nanoparticles tethered to specific locations on a DNA origami tile and use this method to measure the overall dimensions and geometry of the DNA nanostructure in solution. Finally, we use indirect Fourier methods, which have long been used for the interpretation of SAXS data from biomolecules, to measure the distance between DNA helix pairs in a DNA origami nanotube. Together, these results provide important methodological advances in the use of SAXS to analyze DNA nanostructures in solution and insights into the structures of single-layer DNA origami.

Single-crystal micromachining using multiple fusion-bonded layers

Science.gov (United States)

Brown, Alan; O'Neill, Garry; Blackstone, Scott C.

2000-08-01

Multi-layer structures have been fabricated using Fusion bonding. The paper shows void free layers of between 2 and 100 microns that have been bonded to form multi-layer structures. Silicon layers have been bonded both with and without interfacial oxide layers.

Molecular dynamics simulations of the three-layer hydrate of Na-montmorillonite

International Nuclear Information System (INIS)

Holmboe, Michael; Bourg, Ian C.

2012-01-01

the size of hundreds to tens or hundreds of thousands particles, MD simulations can be used to reveal how dynamic processes on the macro-scale (such as laboratory-scale values of the EA of diffusion), arise from the molecular scale. In order to obtain accurate and realistic transport properties of solutes in clays, such as self-diffusion coefficients, sorption behavior and EA of diffusion, one must probe realistic and physically relevant geochemical systems. Many previous studies using molecular simulation techniques studied relatively small smectite/water systems ( 4 atoms) using 'frozen' smectite clay layers, in order to save computational time, whereas the use of fully flexible clay layers has been advocated by several authors. In this study we present a sensitivity analysis of MD simulations of the three-layer hydrate of Na-montmorillonite. We focus in particular on the self-diffusion coefficients and their temperature-dependence, as well as structural data for the three-layer hydration state, which is expected to be the predominant hydration state in the bentonite barrier in different concepts of geological nuclear waste disposal, such as the Swedish KBS-3 concept. We also present a methodology for calculating the EA of diffusion for solutes in the interlayer nano-pores for temperatures 278 to 353 K, correcting for system size effects inherent to MD simulations as well as viscosity related effects for the SPC/E water model. In brief, our methodology uses the versatile MD code LAMMPS with a rigid SPC/E water model and the CLAYFF force field, which is known to satisfyingly predict structural and thermodynamical properties of smectite interlayer water and exchangeable cations. The CLAYFF force field describes the non-bonded atomic partial charges together with the van der Waals parameters of the clay structural atoms, which in this study is a typical 2:1 Na + -exchanged smectite (Wyoming montmorillonite) containing a negative structural charge of 0.66/unit cell

Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

Science.gov (United States)

Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

2013-01-01

In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

Tunneling and Origin of Large Access Resistance in Layered-Crystal Organic Transistors

Science.gov (United States)

Hamai, Takamasa; Arai, Shunto; Minemawari, Hiromi; Inoue, Satoru; Kumai, Reiji; Hasegawa, Tatsuo

2017-11-01

Layered crystallinity of organic semiconductors is crucial to obtaining high-performance organic thin-film transistors (OTFTs), as it allows both smooth-channel-gate-insulator interface formation and efficient two-dimensional carrier transport along the interface. However, the role of vertical transport across the crystalline molecular layers in device operations has not been a crucial subject so far. Here, we show that the interlayer carrier transport causes unusual nonlinear current-voltage characteristics and enormous access resistance in extremely high-quality single-crystal OTFTs based on 2-decyl-7-phenyl[1]-benzothieno[3 ,2 -b ][1]benzothiophene (Ph -BTBT -C10 ) that involve inherent multiple semiconducting π -conjugated layers interposed, respectively, by electrically inert alkyl-chain layers. The output characteristics present layer-number (n )-dependent nonlinearity that becomes more evident at larger n (1 ≤n ≤15 ), demonstrating tunneling across multiple alkyl-chain layers. The n -dependent device mobility and four-probe measurements reveal that the alkyl-chain layers generate a large access resistance that suppresses the device mobility from the intrinsic value of about 20 cm2 V-1 s-1 . Our findings clarify the reason why device characteristics are distributed in single-crystal OTFTs.

An optical, electrical and ultrasonic layered single sensor for ingredient measurement in liquid

International Nuclear Information System (INIS)

Kimoto, A; Kitajima, T

2010-01-01

In this paper, an optical, electrical and ultrasonic layered single sensor is proposed as a new, non-invasive sensing method for the measurement of ingredients in liquid, particularly in the food industry. In the proposed sensor, the photo sensors and the PVDF films with the transparent conductive electrode are layered and the optical properties of the liquid are measured by a light emitting diode (LED) and a phototransistor (PT). In addition, the electrical properties are measured by indium tin oxide (ITO) film electrodes as the transparent conductive electrodes of PVDF films arranged on the surfaces of the LED and PT. Moreover, the ultrasonic properties are measured by PVDF films. Thus, the optical, electrical and ultrasonic properties in the same space of the liquid can be simultaneously measured at a single sensor. To test the sensor experimentally, three parameters of the liquid—such as concentrations of yellow color, sodium chloride (NaCl) and ethanol in distilled water—were estimated using the measurement values of the optical, electrical and ultrasonic properties obtained with the proposed sensor. The results suggested that it is possible to estimate the three ingredient concentrations in the same space of the liquid from the optical, electrical and ultrasonic properties measured by the proposed single sensor, although there are still some problems such as measurement accuracy that must be solved

Strain-free GaN thick films grown on single crystalline ZnO buffer layer with in situ lift-off technique

International Nuclear Information System (INIS)

Lee, S. W.; Minegishi, T.; Lee, W. H.; Goto, H.; Lee, H. J.; Lee, S. H.; Lee, Hyo-Jong; Ha, J. S.; Goto, T.; Hanada, T.; Cho, M. W.; Yao, T.

2007-01-01

Strain-free freestanding GaN layers were prepared by in situ lift-off process using a ZnO buffer as a sacrificing layer. Thin Zn-polar ZnO layers were deposited on c-plane sapphire substrates, which was followed by the growth of Ga-polar GaN layers both by molecular beam epitaxy (MBE). The MBE-grown GaN layer acted as a protecting layer against decomposition of the ZnO layer and as a seeding layer for GaN growth. The ZnO layer was completely in situ etched off during growth of thick GaN layers at low temperature by hydride vapor phase epitaxy. Hence freestanding GaN layers were obtained for the consecutive growth of high-temperature GaN thick layers. The lattice constants of freestanding GaN agree with those of strain-free GaN bulk. Extensive microphotoluminescence study indicates that strain-free states extend throughout the high-temperature grown GaN layers

The role of molecular architecture and layer composition on the properties and performance of CuPc-C6 photovoltaic devices

International Nuclear Information System (INIS)

Schultes, S.M.; Sullivan, P.; Heutz, S.; Sanderson, B.M.; Jones, T.S.

2005-01-01

We have studied the effects of molecular architecture, co-deposition and annealing on the properties and performance of photovoltaic cells based on copper phthalocyanine (CuPc)-fullerene (C 6 ) heterojunctions. Significant improvements in performance are achieved when mixed CuPc:C 6 layers are incorporated into the device structure due to the creation of an intermolecularly mixed donor (D)-acceptor (A) blend that favours efficient exciton dissociation. We utilise the control afforded by organic molecular beam deposition to show that the mixed-layer composition plays an important role in determining device performance and correlate device efficiency to the morphological and spectroscopic properties of the organic layers. A maximum power conversion efficiency of η p = 1.17% is achieved for devices containing a mixed layer of ratio 75:25 CuPc:C 6 surrounded by thin continuous layers of pure organic material at the electrode interfaces. A structure containing a compositional gradient where the CuPc:C 6 composition is varied from purely D to purely A via three mixed layers of increasing A composition leads to a further improvements in efficiency (η p = 1.36%). Finally, we use thermal annealing to show how structural defects and morphological templating of organic thin films reduces the interfacial area for exciton separation and yields poor device performance

Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions

NARCIS (Netherlands)

Neggers, R.A.J.; Ackerman, Andrew S.; Angevine, W. M.; Bazile, Eric; Beau, I.; Blossey, P. N.; Boutle, I. A.; de Bruijn, C.; cheng, A; van der Dussen, J.J.; Fletcher, J.; Dal Gesso, S.; Jam, A.; Kawai, H; Cheedela, S. K.; Larson, V. E.; Lefebvre, Marie Pierre; Lock, A. P.; Meyer, N. R.; de Roode, S.R.; de Rooy, WC; Sandu, I; Xiao, H; Xu, K. M.

2017-01-01

Results are presented of the GASS/EUCLIPSE single-column model intercomparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using

Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

Science.gov (United States)

Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

2017-11-01

Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

Disappearing Enantiomorphs: Single Handedness in Racemate Crystals.

Science.gov (United States)

Parschau, Manfred; Ernst, Karl-Heinz

2015-11-23

Although crystallization is the most important method for the separation of enantiomers of chiral molecules in the chemical industry, the chiral recognition involved in this process is poorly understood at the molecular level. We report on the initial steps in the formation of layered racemate crystals from a racemic mixture, as observed by STM at submolecular resolution. Grown on a copper single-crystal surface, the chiral hydrocarbon heptahelicene formed chiral racemic lattice structures within the first layer. In the second layer, enantiomerically pure domains were observed, underneath which the first layer contained exclusively the other enantiomer. Hence, the system changed from a 2D racemate into a 3D racemate with enantiomerically pure layers after exceeding monolayer-saturation coverage. A chiral bias in form of a small enantiomeric excess suppressed the crystallization of one double-layer enantiomorph so that the pure minor enantiomer crystallized only in the second layer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface engineering of zirconium particles by molecular layer deposition: Significantly enhanced electrostatic safety at minimum loss of the energy density

Science.gov (United States)

Qin, Lijun; Yan, Ning; Hao, Haixia; An, Ting; Zhao, Fengqi; Feng, Hao

2018-04-01

Because of its high volumetric heat of oxidation, Zr powder is a promising high energy fuel/additive for rocket propellants. However, the application of Zr powder is restricted by its ultra-high electrostatic discharge sensitivity, which poses great hazards for handling, transportation and utilization of this material. By performing molecular layer deposition of polyimide using 1,2,4,5-benzenetetracarboxylic anhydride and ethylenediamine as the precursors, Zr particles can be uniformly encapsulated by thin layers of the polymer. The thicknesses of the encapsulation layers can be precisely controlled by adjusting the number of deposition cycle. High temperature annealing converts the polymer layer into a carbon coating. Results of thermal analyses reveal that the polymer or carbon coatings have little negative effect on the energy release process of the Zr powder. By varying the thickness of the polyimide or carbon coating, electrostatic discharge sensitivity of the Zr powder can be tuned in a wide range and its uncontrolled ignition hazard can be virtually eliminated. This research demonstrates the great potential of molecular layer deposition in effectively modifying the surface properties of highly reactive metal based energetic materials with minimum sacrifices of their energy densities.

Interaction of single and multi-layer graphene oxide with fetal bovine serum: assessing the protein corona formation

Energy Technology Data Exchange (ETDEWEB)

Franqui, Lidiane Silva; Farias, Marcelo Alexandre de; Portugal, Rodrigo Villares; Costa, Carlos Alberto; Leme, Adriana Franco Paes; Martinez, Diego Stefani Teodoro, E-mail: lidiane.franqui@pos.ft.unicamp.br [Centro Nacional de Pesquisa em Energia e Materiais (CNPEM), Campinas, SP (Brazil); Coluci, Vitor Rafael [Universidade Estadual de Campinas (UNICAMP), SP (Brazil)

2016-07-01

Full text: When in contact with biological systems, nanomaterials surface adsorbs biomolecules present in the biological medium, mainly proteins, yielding a molecular coating 'protein corona' which affects the biological response and toxicity of the nanomaterials. Several factors can influence the protein corona formation, such as nanomaterial physicochemical properties and the nature of biological medium. In this work, we have performed a comparative study between the single and multi-layer graphene oxide nanomaterials (SL-GO and ML-GO, respectively) after their interaction with DMEM cell culture medium containing fetal bovine serum (FBS). Bare GOs and FBS protein corona-coated GOs were characterized using dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), atomic force microscopy (AFM), cryogenic transmission electron microscopy (Cryo-TEM) and X-ray photoelectron spectroscopy (XPS). The protein corona composition was characterized by gel electrophoresis (SDS-PAGE) and mass spectrometry (LC-MS/MS). Our results showed that, after interaction with FBS, GO particle size increased due to the protein corona formation. Besides, the presence of proteins also has significantly increased the dispersion stability of SLGO and ML-GO over time. Whereas the main proteins have been identified in both SL-GO and ML-GO, SL-GO has adsorbed larger amounts of proteins than ML-GO. Finally, the number of GO layers influences its interactions with FBS proteins and dispersion stability in DMEM medium. These results point out implications for in vitro cytotoxicity assessment and biomedical applications of these promising carbon nanomaterials. (author)

Interaction of single and multi-layer graphene oxide with fetal bovine serum: assessing the protein corona formation

International Nuclear Information System (INIS)

Franqui, Lidiane Silva; Farias, Marcelo Alexandre de; Portugal, Rodrigo Villares; Costa, Carlos Alberto; Leme, Adriana Franco Paes; Martinez, Diego Stefani Teodoro; Coluci, Vitor Rafael

2016-01-01

Full text: When in contact with biological systems, nanomaterials surface adsorbs biomolecules present in the biological medium, mainly proteins, yielding a molecular coating 'protein corona' which affects the biological response and toxicity of the nanomaterials. Several factors can influence the protein corona formation, such as nanomaterial physicochemical properties and the nature of biological medium. In this work, we have performed a comparative study between the single and multi-layer graphene oxide nanomaterials (SL-GO and ML-GO, respectively) after their interaction with DMEM cell culture medium containing fetal bovine serum (FBS). Bare GOs and FBS protein corona-coated GOs were characterized using dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), atomic force microscopy (AFM), cryogenic transmission electron microscopy (Cryo-TEM) and X-ray photoelectron spectroscopy (XPS). The protein corona composition was characterized by gel electrophoresis (SDS-PAGE) and mass spectrometry (LC-MS/MS). Our results showed that, after interaction with FBS, GO particle size increased due to the protein corona formation. Besides, the presence of proteins also has significantly increased the dispersion stability of SLGO and ML-GO over time. Whereas the main proteins have been identified in both SL-GO and ML-GO, SL-GO has adsorbed larger amounts of proteins than ML-GO. Finally, the number of GO layers influences its interactions with FBS proteins and dispersion stability in DMEM medium. These results point out implications for in vitro cytotoxicity assessment and biomedical applications of these promising carbon nanomaterials. (author)

Comparative study of hand sewn single layer anastomosis of dog's bowel Estudo comparativo das anastomoses manuais em plano único do intestino delgado de cães

OpenAIRE

João Luiz Moreira Coutinho Azevedo; Octávio Hypólito; Otávio Cansanção Azevedo; Otávio Monteiro Becker Jr.; Dalmer Faria Freire

2008-01-01

BACKGROUND: Two-layer intestinal anastomosis increases the inflammatory response while single-layer anastomosis results in a better wound healing. However the four main kinds of stitches which may be chosen in performing single layer intestinal sutures never before had been comparatively studied. AIM: To compare the four more commonly used types of single layer surgical anastomosis sutures of the digestive tract. METHODS: Six mongrel dogs were operated, each one receiving two anastomosis: one...

Density functional theory study of chemical sensing on surfaces of single-layer MoS2 and graphene

International Nuclear Information System (INIS)

Mehmood, F.; Pachter, R.

2014-01-01

In this work, density functional theory (DFT) calculations have been used to investigate chemical sensing on surfaces of single-layer MoS 2 and graphene, considering the adsorption of the chemical compounds triethylamine, acetone, tetrahydrofuran, methanol, 2,4,6-trinitrotoluene, o-nitrotoluene, o-dichlorobenzene, and 1,5-dicholoropentane. Physisorption of the adsorbates on free-standing surfaces was analyzed in detail for optimized material structures, considering various possible adsorption sites. Similar adsorption characteristics for the two surface types were demonstrated, where inclusion of a correction to the DFT functional for London dispersion was shown to be important to capture interactions at the interface of molecular adsorbate and surface. Charge transfer analyses for adsorbed free-standing surfaces generally demonstrated very small effects. However, charge transfer upon inclusion of the underlying SiO 2 substrate rationalized experimental observations for some of the adsorbates considered. A larger intrinsic response for the electron-donor triethylamine adsorbed on MoS 2 as compared to graphene was demonstrated, which may assist in devising chemical sensors for improved sensitivity

Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

Directory of Open Access Journals (Sweden)

Chih-Chieh Wang

2017-12-01

Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

Manipulating localized molecular orbitals by single-atom contacts.

Science.gov (United States)

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

2010-09-17

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

A single-layer wide-angle negative-index metamaterial at visible frequencies.

Science.gov (United States)

Burgos, Stanley P; de Waele, Rene; Polman, Albert; Atwater, Harry A

2010-05-01

Metamaterials are materials with artificial electromagnetic properties defined by their sub-wavelength structure rather than their chemical composition. Negative-index materials (NIMs) are a special class of metamaterials characterized by an effective negative index that gives rise to such unusual wave behaviour as backwards phase propagation and negative refraction. These extraordinary properties lead to many interesting functions such as sub-diffraction imaging and invisibility cloaking. So far, NIMs have been realized through layering of resonant structures, such as split-ring resonators, and have been demonstrated at microwave to infrared frequencies over a narrow range of angles-of-incidence and polarization. However, resonant-element NIM designs suffer from the limitations of not being scalable to operate at visible frequencies because of intrinsic fabrication limitations, require multiple functional layers to achieve strong scattering and have refractive indices that are highly dependent on angle of incidence and polarization. Here we report a metamaterial composed of a single layer of coupled plasmonic coaxial waveguides that exhibits an effective refractive index of -2 in the blue spectral region with a figure-of-merit larger than 8. The resulting NIM refractive index is insensitive to both polarization and angle-of-incidence over a +/-50 degree angular range, yielding a wide-angle NIM at visible frequencies.

Numerical Study on Open-Circuit Voltage of Single Layer Organic Solar Cells with Schottky Contacts: Effects of Molecular Energy Levels, Temperature and Thickness

International Nuclear Information System (INIS)

Rong-Hua, Li; Ying-Quan, Peng; Chao-Zhu, Ma; Run-Sheng, Wang; Hong-Wei, Xie; Ying, Wang; Wei-Min, Meng

2010-01-01

We numerically investigate the effects of the exciton generation rate G, temperature T, the active layer thickness d and the position of LUMO level E L related to the cathode work function W c at a given energy gap on the open-circuit voltage V oc of single layer organic solar cells with Schottky contact. It is demonstrated that open-circuit voltage increases concomitantly with the decreasing cathode work function W c for given anode work functions and exciton generation rates. In the case of given cathode and anode work functions, the open-circuit voltage first increases with the exciton generation rate and then reaches a saturation value, which equals to the built-in voltage. Additionally, it is worth noting that a significant improvement to V oc could be made by selecting an organic material which has a relative high LUMO level (low |E L | value). However, V oc decreases as the temperature increases, and the decreasing rate reduces with the enhancement of exciton generation rate. Our study also shows that it is of no benefit to improve the open-circuit voltage by increasing the device thickness because of an enhanced charge recombination in thicker devices. (cross-disciplinary physics and related areas of science and technology)

Unveiling the Structural Origin of the High Carrier Mobility of a Molecular Monolayer on Boron Nitride

OpenAIRE

Xu, Rui; He, Daowei; Zhang, Yuhan; Wu, Bing; Liu, Fengyuan; Meng, Lan; Liu, Jun-Fang; Wu, Qisheng; Shi, Yi; Wang, Jinlan; Nie, Jia-Cai; Wang, Xinran; He, Lin

2014-01-01

Very recently, it was demonstrated that the carrier mobility of a molecular monolayer dioctylbenzothienobenzothiophene (C8-BTBT) on boron nitride can reach 10 cm2/Vs, the highest among the previously reported monolayer molecular field-effect transistors. Here we show that the high-quality single crystal of the C8-BTBT monolayer may be the key origin of the record-high carrier mobility. We discover that the C8-BTBT molecules prefer layer-by-layer growth on both hexagonal boron nitride and grap...

Slater-Koster Tight-Binding parametrization of single and few-layer Black-Phosphorus from first-principles calculations

Science.gov (United States)

Menezes, Marcos; Capaz, Rodrigo

Black Phosphorus (BP) is a promising material for applications in electronics, especially due to the tuning of its band gap by increasing the number of layers. In single-layer BP, also called Phosphorene, the P atoms form two staggered chains bonded by sp3 hybridization, while neighboring layers are bonded by Van-der-Waals interactions. In this work, we present a Tight-Binding (TB) parametrization of the electronic structure of single and few-layer BP, based on the Slater-Koster model within the two-center approximation. Our model includes all 3s and 3p orbitals, which makes this problem more complex than that of graphene, where only 2pz orbitals are needed for most purposes. The TB parameters are obtained from a least-squares fit of DFT calculations carried on the SIESTA code. We compare the results for different basis-sets used to expand the ab-initio wavefunctions and discuss their applicability. Our model can fit a larger number of bands than previously reported calculations based on Wannier functions. Moreover, our parameters have a clear physical interpretation based on chemical bonding. As such, we expect our results to be useful in a further understanding of multilayer BP and other 2D-materials characterized by strong sp3 hybridization. CNPq, FAPERJ, INCT-Nanomateriais de Carbono.

Formation of a Molecular Wire Using the Chemically Adsorbed Monomolecular Layer Having Pyrrolyl Groups

Directory of Open Access Journals (Sweden)

Kazufumi Ogawa

2011-01-01

Full Text Available A molecular wire containing polypyrrolyl conjugate bonds has been prepared by a chemical adsorption technique using 1,1,1-trichloro-12-pyrrolyl-1-siladodecane (PNN and an electrooxidative polymerization technique, and the conductivity of the molecular wire without any dopant has been measured by using AFM/STM at room temperature. When sample dimension measured was about 0.3 nm (thickness of the conductive portion in the PNN monomolecular layer ×100 μm (the average width of an electric path ×2 mm (the distance between Pt positive electrode and the AFM tip covered with Au, the conductivity of the polymerized PNN molecular wire at room temperature was larger than 1.6 × 105 S/cm both in an atmosphere and in a vacuum chamber of 10−5 Torr. The activation energy obtained by Arrhenius' plots was almost zero in the temperature range between 320 and 450 K.

Transparent Flash Memory using Single Ta2O5 Layer for both Charge Trapping and Tunneling Dielectrics

KAUST Repository

Hota, Mrinal Kanti

2017-06-08

We report reproducible multibit transparent flash memory in which a single solution-derived Ta2O5 layer is used simultaneously as charge trapping and tunneling layer. This is different from conventional flash cells, where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ~10 V. Moreover, the flash memory device shows a stable 2-bit memory performance, good reliability, including data retention for more than 104 sec and endurance performance for more than 100 cycles. The use of a common charge trapping and tunneling layer can simplify advanced flash memory fabrication.

Transparent Flash Memory using Single Ta2O5 Layer for both Charge Trapping and Tunneling Dielectrics

KAUST Repository

Hota, Mrinal Kanti; Alshammari, Fwzah H.; Salama, Khaled N.; Alshareef, Husam N.

2017-01-01

We report reproducible multibit transparent flash memory in which a single solution-derived Ta2O5 layer is used simultaneously as charge trapping and tunneling layer. This is different from conventional flash cells, where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ~10 V. Moreover, the flash memory device shows a stable 2-bit memory performance, good reliability, including data retention for more than 104 sec and endurance performance for more than 100 cycles. The use of a common charge trapping and tunneling layer can simplify advanced flash memory fabrication.

Towards single photon generation using NV centers in diamond coupled to thin layer optical waveguides

International Nuclear Information System (INIS)

Toshiyuki Tashima

2014-01-01

Single photon emitters like the nitrogen-vacancy (NV) center in diamond are important for quantum communication such as quantum cryptography and quantum metrology. In this context, e.g. tapered optical nano-fibers are a promising approach as they allow efficient coupling of single photons into a single spatial mode. Yet, integration of such fibers in a compact integrated quantum circuit is demanding. Here we propose a NV defect center in diamond as a single photon emitter coupled to a thin layer photonic waveguide. The benefit is to allow smaller size devices while having a similar strong evanescent field like tapered nano-optical fibers. We present numerical simulations and fabrication steps of such structures. (author)

Single molecular biology: coming of age in DNA replication.

Science.gov (United States)

Liu, Xiao-Jing; Lou, Hui-Qiang

2017-09-20

DNA replication is an essential process of the living organisms. To achieve precise and reliable replication, DNA polymerases play a central role in DNA synthesis. Previous investigations have shown that the average rates of DNA synthesis on the leading and lagging strands in a replisome must be similar to avoid the formation of significant gaps in the nascent strands. The underlying mechanism has been assumed to be coordination between leading- and lagging-strand polymerases. However, Kowalczykowski's lab members recently performed single molecule techniques in E. coli and showed the real-time behavior of a replisome. The leading- and lagging-strand polymerases function stochastically and independently. Furthermore, when a DNA polymerase is paused, the helicase slows down in a self-regulating fail-safe mechanism, akin to a ''dead-man's switch''. Based on the real-time single-molecular observation, the authors propose that leading- and lagging-strand polymerases synthesize DNA stochastically within a Gaussian distribution. Along with the development and application of single-molecule techniques, we will witness a new age of DNA replication and other biological researches.

Molecular Etiology of Hereditary Single-Side Deafness

Science.gov (United States)

Kim, Shin Hye; Kim, Ah Reum; Choi, Hyun Seok; Kim, Min Young; Chun, Eun Hi; Oh, Seung-Ha; Choi, Byung Yoon

2015-01-01

Abstract Unilateral sensorineural hearing loss (USNHL)/single-side deafness (SSD) is a frequently encountered disability in children. The etiology of a substantial portion of USNHL/SSD still remains unknown, and genetic causes have not been clearly elucidated. In this study, the authors evaluated the heritability of USNHL/SSD. The authors sequentially recruited 50 unrelated children with SSD. For an etiologic diagnosis, we performed a rigorous review on the phenotypes of family members of all children and conducted, if necessary, molecular genetic tests including targeted exome sequencing of 129 deafness genes. Among the 50 SSD children cohort, the authors identify 4 (8%) unrelated SSD probands from 4 families (SH136, SB173, SB177, and SB199) with another hearing impaired family members. Notably, all 4 probands in our cohort with a familial history of SSD also have pigmentary abnormalities such as brown freckles or premature gray hair within first degree relatives, which may indicate that genes whose products are involved with pigmentary disorder could be candidates for heritable SSD. Indeed, SH136 and SB199 turned out to segregate a mutation in MITF and PAX3, respectively, leading to a molecular diagnosis of Waardenburg syndrome (WS). We report, for the first time in the literature, a significant heritability of pediatric SSD. There is a strong association between the heritability of USNHL/SSD and the pigmentary abnormality, shedding a new light on the understanding of the molecular basis of heritable USNHL/SSD. In case of children with congenital SSD, it would be mandatory to rigorously screen pigmentary abnormalities. WS should also be included in the differential diagnosis of children with USNHL/SSD, especially in a familial form. PMID:26512583

Estimating single molecule conductance from spontaneous evolution of a molecular contact

Science.gov (United States)

Gil, M.; Malinowski, T.; Iazykov, M.; Klein, H. R.

2018-03-01

We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction operated at room temperature in the liquid. We record the conductance through the metal/molecules/metal nanocontact while keeping the metallic electrodes at a fixed distance. Taking advantage of thermal diffusion and electromigration, we let the contact naturally explore the more stable configurations around a chosen conductance value. The conductance of a single molecule is estimated from a statistical analysis of raw conductance and conductance standard deviation data for molecular contacts containing up to 14 molecules. The single molecule conductance values are interpreted as time-averaged conductance of an ensemble of conformers at thermal equilibrium.

Automatic identification of single- and/or few-layer thin-film material

DEFF Research Database (Denmark)

2014-01-01

One or more digital representations of single- (101) and/or few-layer (102) thin- film material are automatically identified robustly and reliably in a digital image (100), the digital image (100) having a predetermined number of colour components, by - determining (304) a background colour...... component of the digital image (100) for each colour component, and - determining or estimating (306) a colour component of thin-film material to be identified in the digital image (100) for each colour component by obtaining a pre-determined contrast value (C R; C G; C B) for each colour component...

DNA Immobilization and Hybridization Detection by the Intrinsic Molecular Charge Using Capacitive Field-Effect Sensors Modified with a Charged Weak Polyelectrolyte Layer.

Science.gov (United States)

Bronder, Thomas S; Poghossian, Arshak; Scheja, Sabrina; Wu, Chunsheng; Keusgen, Michael; Mewes, Dieter; Schöning, Michael J

2015-09-16

Miniaturized setup, compatibility with advanced micro- and nanotechnologies, and ability to detect biomolecules by their intrinsic molecular charge favor the semiconductor field-effect platform as one of the most attractive approaches for the development of label-free DNA chips. In this work, a capacitive field-effect EIS (electrolyte-insulator-semiconductor) sensor covered with a layer-by-layer prepared, positively charged weak polyelectrolyte layer of PAH (poly(allylamine hydrochloride)) was used for the label-free electrical detection of DNA (deoxyribonucleic acid) immobilization and hybridization. The negatively charged probe single-stranded DNA (ssDNA) molecules were electrostatically adsorbed onto the positively charged PAH layer, resulting in a preferentially flat orientation of the ssDNA molecules within the Debye length, thus yielding a reduced charge-screening effect and a higher sensor signal. Each sensor-surface modification step (PAH adsorption, probe ssDNA immobilization, hybridization with complementary target DNA (cDNA), reducing an unspecific adsorption by a blocking agent, incubation with noncomplementary DNA (ncDNA) solution) was monitored by means of capacitance-voltage and constant-capacitance measurements. In addition, the surface morphology of the PAH layer was studied by atomic force microscopy and contact-angle measurements. High hybridization signals of 34 and 43 mV were recorded in low-ionic strength solutions of 10 and 1 mM, respectively. In contrast, a small signal of 4 mV was recorded in the case of unspecific adsorption of fully mismatched ncDNA. The density of probe ssDNA and dsDNA molecules as well as the hybridization efficiency was estimated using the experimentally measured DNA immobilization and hybridization signals and a simplified double-layer capacitor model. The results of field-effect experiments were supported by fluorescence measurements, verifying the DNA-immobilization and hybridization event.

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.

Unlocking CO Depletion in Protoplanetary Disks. I. The Warm Molecular Layer

Science.gov (United States)

Schwarz, Kamber R.; Bergin, Edwin A.; Cleeves, L. Ilsedore; Zhang, Ke; Öberg, Karin I.; Blake, Geoffrey A.; Anderson, Dana

2018-03-01

CO is commonly used as a tracer of the total gas mass in both the interstellar medium and in protoplanetary disks. Recently, there has been much debate about the utility of CO as a mass tracer in disks. Observations of CO in protoplanetary disks reveal a range of CO abundances, with measurements of low CO to dust mass ratios in numerous systems. One possibility is that carbon is removed from CO via chemistry. However, the full range of physical conditions conducive to this chemical reprocessing is not well understood. We perform a systematic survey of the time dependent chemistry in protoplanetary disks for 198 models with a range of physical conditions. We vary dust grain size distribution, temperature, comic-ray and X-ray ionization rates, disk mass, and initial water abundance, detailing what physical conditions are necessary to activate the various CO depletion mechanisms in the warm molecular layer. We focus our analysis on the warm molecular layer in two regions: the outer disk (100 au) well outside the CO snowline and the inner disk (19 au) just inside the midplane CO snowline. After 1 Myr, we find that the majority of models have a CO abundance relative to H2 less than 10‑4 in the outer disk, while an abundance less than 10‑5 requires the presence of cosmic-rays. Inside the CO snowline, significant depletion of CO only occurs in models with a high cosmic-ray rate. If cosmic-rays are not present in young disks, it is difficult to chemically remove carbon from CO. Additionally, removing water prior to CO depletion impedes the chemical processing of CO. Chemical processing alone cannot explain current observations of low CO abundances. Other mechanisms must also be involved.

Structure characterization of Pd/Co/Pd tri-layer films epitaxially grown on MgO single-crystal substrates

Energy Technology Data Exchange (ETDEWEB)

Tobari, Kousuke, E-mail: tobari@futamoto.elect.chuo-u.ac.jp; Ohtake, Mitsuru; Nagano, Katsumasa; Futamoto, Masaaki

2011-09-30

Pd/Co/Pd tri-layer films were prepared on MgO substrates of (001), (111), and (011) orientations at room temperature by ultra high vacuum rf magnetron sputtering. The detailed film structures around the Co/Pd and the Pd/Co interfaces are investigated by reflection high energy electron diffraction. Pd layers of (001){sub fcc}, (111){sub fcc}, and (011){sub fcc} orientations epitaxially grow on the respective MgO substrates. Strained fcc-Co(001) single-crystal layers are formed on the Pd(001){sub fcc} layers by accommodating the fairly large lattice mismatch between the Co and the Pd layers. On the Co layers,, Pd polycrystalline layers are formed. When Co films are formed on the Pd(111){sub fcc} and the Pd(011){sub fcc} layers, atomic mixing is observed around the Co/Pd interfaces and fcc-CoPd alloy phases are coexisting with Co crystals. The Co crystals formed on the Pd(111){sub fcc} layers consist of hcp(0001) + fcc(111) and Pd(111){sub fcc} epitaxial layers are formed on the Co layers. Co crystals epitaxially grow on the Pd(011){sub fcc} layers with two variants, hcp(11-bar 00) and fcc(111). On the Co layers, Pd(011){sub fcc} epitaxial layers are formed.

Empirical potential for molecular simulation of graphene nanoplatelets

Science.gov (United States)

Bourque, Alexander J.; Rutledge, Gregory C.

2018-04-01

A new empirical potential for layered graphitic materials is reported. Interatomic interactions within a single graphene sheet are modeled using a Stillinger-Weber potential. Interatomic interactions between atoms in different sheets of graphene in the nanoplatelet are modeled using a Lennard-Jones interaction potential. The potential is validated by comparing molecular dynamics simulations of tensile deformation with the reported elastic constants for graphite. The graphite is found to fracture into graphene nanoplatelets when subjected to ˜15% tensile strain normal to the basal surface of the graphene stack, with an ultimate stress of 2.0 GPa and toughness of 0.33 GPa. This force field is useful to model molecular interactions in an important class of composite systems comprising 2D materials like graphene and multi-layer graphene nanoplatelets.

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-...

Plasma immersion ion implantation: duplex layers from a single process

International Nuclear Information System (INIS)

Hutchings, R.; Collins, G.A.; Tendys, J.

1992-01-01

Plasma immersion ion implantation (PI 3 ) is an alternative non-line-of-sight technique for implanting ions directly from a plasma which surrounds the component to be treated. In contrast to plasma source ion implantation, the PI 3 system uses an inductively coupled r.f. plasma. It is shown that nitrogen can be retained during implantation at elevated temperatures, even for unalloyed steels. This allows controlled diffusion of nitrogen to greater depths, thereby improving the load bearing capacity of the implanted layer. Components can be heated directly, using the energy deposited by the incident ions during the pulsed implantation. The necessary temperature control can be accomplished simply by regulating the frequency and length of the high voltage pulses applied to the component. Chemical depth profiles and microstructural data obtained from H13 tool steel are used to show that PI 3 can, in a single process, effectively produce a duplex subsurface structure. This structure consists of an outer non-equilibrium layer typical of nitrogen implantation (containing in excess of 20 at.% nitrogen) backed by a substantial diffusion zone of much lower nitrogen content. The relationship between implantation temperature and the resultant subsurface microstructure is explored. (orig.)

Adsorption of metal adatoms on single-layer phosphorene.

Science.gov (United States)

Kulish, Vadym V; Malyi, Oleksandr I; Persson, Clas; Wu, Ping

2015-01-14

Single- or few-layer phosphorene is a novel two-dimensional direct-bandgap nanomaterial. Based on first-principles calculations, we present a systematic study on the binding energy, geometry, magnetic moment and electronic structure of 20 different adatoms adsorbed on phosphorene. The adatoms cover a wide range of valences, including s and p valence metals, 3d transition metals, noble metals, semiconductors, hydrogen and oxygen. We find that adsorbed adatoms produce a rich diversity of structural, electronic and magnetic properties. Our work demonstrates that phosphorene forms strong bonds with all studied adatoms while still preserving its structural integrity. The adsorption energies of adatoms on phosphorene are more than twice higher than on graphene, while the largest distortions of phosphorene are only ∼0.1-0.2 Å. The charge carrier type in phosphorene can be widely tuned by adatom adsorption. The unique combination of high reactivity with good structural stability is very promising for potential applications of phosphorene.

Hemodynamic monitoring in different cortical layers with a single fiber optical system

Science.gov (United States)

Yu, Linhui; Noor, M. Sohail; Kiss, Zelma H. T.; Murari, Kartikeya

2018-02-01

Functional monitoring of highly-localized deep brain structures is of great interest. However, due to light scattering, optical methods have limited depth penetration or can only measure from a large volume. In this research, we demonstrate continuous measurement of hemodynamics in different cortical layers in response to thalamic deep brain stimulation (DBS) using a single fiber optical system. A 200-μm-core-diameter multimode fiber is used to deliver and collect light from tissue. The fiber probe can be stereotaxically implanted into the brain region of interest at any depth to measure the di use reflectance spectra from a tissue volume of 0.02-0.03 mm3 near the fiber tip. Oxygenation is then extracted from the reflectance spectra using an algorithm based on Monte Carlo simulations. Measurements were performed on the surface (cortical layer I) and at 1.5 mm depth (cortical layer VI) of the motor cortex in anesthetized rats with thalamic DBS. Preliminary results revealed the oxygenation changes in response to DBS. Moreover, the baseline as well as the stimulus-evoked change in oxygenation were different at the two depths of cortex.

Molecular plating of thin lanthanide layers with improved material properties for nuclear applications

International Nuclear Information System (INIS)

Vascon, Alessio

2013-01-01

This work describes experiments to gain an improved understanding of the processes associated with the electrochemical production of thin lanthanide layers for nuclear science investigations, i.e., nuclear targets. Nd, Sm, and Gd layers were prepared by means of the so-called molecular plating (MP) technique, where electrodeposition from an organic medium is usually performed in the constant current mode using two-electrode cells. The obtained results allowed the identification of optimized production conditions, which led to a significantly improved layer quality. Constant current density MP is a mass-transport controlled process. The applied current is maintained constant by constant fluxes of electroactive species towards the cathode - where the layer is grown - and the anode. The investigations showed the cell potentials of the electrodeposition systems to be always dominated by the ohmic drop produced by the resistance of the solutions used for the studies. This allowed to derive an expression relating cell potential with concentration of the electroactive species. This expression is able to explain the trends recorded with different electrolyte concentrations and it serves as a basis to get towards a full understanding of the reasons leading to the characteristic minima observed in the evolution of the cell potential curves with time. The minima were found to correspond to an almost complete depletion of the Nd ions obtained by dissolution of the model salt used for the investigations. Nd was confirmed to be deposited at the cathode as derivatives of Nd 3+ - possibly as carboxylate, oxide or hydroxide. This fact was interpreted on the basis of the highly negative values of the standard redox potentials typical for lanthanide cations. Among the different electroactive species present in the complex MP solutions, the Nd 3+ ions were found to contribute to less than 20% to the total current. Because of electrolysis, also the mixed solvent contributed to the

Sm-doped CeO2 single buffer layer for YBCO coated conductors by polymer assisted chemical solution deposition (PACSD) method

International Nuclear Information System (INIS)

Li, G.; Pu, M.H.; Sun, R.P.; Wang, W.T.; Wu, W.; Zhang, X.; Yang, Y.; Cheng, C.H.; Zhao, Y.

2008-01-01

An over 150 nm thick Sm 0.2 Ce 0.8 O 1.9-x (SCO) single buffer layer has been deposited on bi-axially textured NiW (2 0 0) alloy substrate. Highly in-plane and out-of-plane oriented, dense, smooth and crack free SCO single layer has been obtained via a polymer-assisted chemical solution deposition (PACSD) approach. YBCO thin film has been deposited equally via a PACSD route on the SCO-buffered NiW, the as grown YBCO yielding a sharp transition at T c0 = 87 K as well as J c (0 T, 77 K) ∼ 1 MA/cm 2 . These results indicates that RE (lanthanides other than Ce) doping may be an effective approach to improve the critical thickness of solution derived CeO 2 film, which renders it a promising candidate as single buffer layer for YBCO coated conductors

Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

KAUST Repository

Merida, Cindy S.; Le, Duy; Echeverrí a, Elena M.; Nguyen, Ariana E.; Rawal, Takat B; Naghibi Alvillar, Sahar; Kandyba, Viktor; Al-Mahboob, Abdullah; Losovyj, Yaroslav B.; Katsiev, Khabiboulakh; Valentin, Michael D.; Huang, Chun-Yu; Gomez, Michael J.; Lu, I-Hsi; Guan, Alison; Barinov, Alexei; Rahman, Talat S; Dowben, Peter A.; Bartels, Ludwig

2017-01-01

Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of such dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition (CVD). This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at sub-micron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. As a consequence, theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

KAUST Repository

Merida, Cindy S.

2017-12-09

Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of such dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition (CVD). This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at sub-micron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. As a consequence, theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

Phonon Self-Energy Corrections to Nonzero Wave-Vector Phonon Modes in Single-Layer Graphene

Science.gov (United States)

Araujo, P. T.; Mafra, D. L.; Sato, K.; Saito, R.; Kong, J.; Dresselhaus, M. S.

2012-07-01

Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q=0) wave vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene originating from a double-resonant Raman process with q≠0. The observed phonon renormalization effects are different from what is observed for the zone-center q=0 case. To explain our experimental findings, we explored the phonon self-energy for the phonons with nonzero wave vectors (q≠0) in single-layer graphene in which the frequencies and decay widths are expected to behave oppositely to the behavior observed in the corresponding zone-center q=0 processes. Within this framework, we resolve the identification of the phonon modes contributing to the G⋆ Raman feature at 2450cm-1 to include the iTO+LA combination modes with q≠0 and also the 2iTO overtone modes with q=0, showing both to be associated with wave vectors near the high symmetry point K in the Brillouin zone.

Molecular Simulations of Graphene-Based Electric Double-Layer Capacitors

Science.gov (United States)

Kalluri, Raja K.; Konatham, Deepthi; Striolo, Alberto

2011-03-01

Towards deploying renewable energy sources it is crucial to develop efficient and cost-effective technologies to store electricity. Traditional batteries are plagued by a number of practical problems that at present limit their widespread applicability. One possible solution is represented by electric double-layer capacitors (EDLCs). To deploy EDLCs at the large scale it is necessary to better understand how electrolytes pack and diffuse within narrow charged pores. We present here simulation results for the concentrated aqueous solutions of NaCl, CsCl, and NaI confined within charged graphene-based porous materials. We discuss how the structure of confined water, the salt concentration, the ions size, and the surface charge density determine the accumulation of electrolytes within the porous network. Our results, compared to data available for bulk systems, are critical for relating macroscopic observations to molecular-level properties of the confined working fluids. Research supported by the Department of Energy.

A molecular dynamics study of liquid layering and thermal conductivity enhancement in nanoparticle suspensions

Science.gov (United States)

Paul, J.; Madhu, A. K.; Jayadeep, U. B.; Sobhan, C. B.; Peterson, G. P.

2018-03-01

Liquid layering is considered to be one of the factors contributing to the often anomalous enhancement in thermal conductivity of nanoparticle suspensions. The extent of this layering was found to be significant at lower particle sizes, as reported in an earlier work by the authors. In continuation to that work, an investigation was conducted to better understand the fundamental parameters impacting the reported anomalous enhancement in thermal conductivity of nanoparticle suspensions (nanofluids), utilizing equilibrium molecular dynamics simulations in a copper-argon system. Nanofluids containing nanoparticles of size less than 6 nm were investigated and studied analytically. The heat current auto-correlation function in the Green-Kubo formulation for thermal conductivity was decomposed into self-correlations and cross-correlations of different species and the kinetic, potential, collision and enthalpy terms of the dominant portion of the heat current vector. The presence of liquid layering around the nanoparticle was firmly established through simulations that show the dominant contribution of Ar-Ar self-correlation and the trend displayed by the kinetic-potential cross-correlation within the argon species.

Deposition of thin layer (monoatomic layer) of barium on gold single crystal surfaces and studies of its oxidation employing X-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Ahmad, H.; Ahmad, R.; Khalid, M.; Alvi, R.A.

2007-01-01

Due to the high reactivity of barium with oxygen, some oxygen diffuse into the bulk to form bulk oxide and it is very difficult to differentiate the oxide over layer and the bulk oxide. To study the oxidation of barium surface layer, a thin layer (monolayer) of barium is developed over gold single crystal surface. Gold is selected as support because it is one of the least reactive metal in transition metal group and have very low probability of reaction with oxygen at room temperature (300K). Nitrous oxide (N/sub 2/O) was used as oxidant. Thin layer of barium was deposited on Au(100) surface. The barium coverage on gold surface was calculated that varied from 0.4 to 1.4 monolayer (ML). Photoelectron spectra for O(ls), N(ls), Ba (3d), and Au (4f) have been recorded on X-ray photoelectron spectrometer at different binding energy region specific for each element. The decomposition of nitrous oxide has been observed in all cases. It has found that nitrogen is evolved in the gaseous state and oxygen is adsorbed/chemisorbed on barium over layer. (author)

Growth of bi- and tri-layered graphene on silicon carbide substrate via molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Min, Tjun Kit; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

2015-04-24

Molecular dynamics (MD) simulation with simulated annealing method is used to study the growth process of bi- and tri-layered graphene on a 6H-SiC (0001) substrate via molecular dynamics simulation. Tersoff-Albe-Erhart (TEA) potential is used to describe the inter-atomic interactions among the atoms in the system. The formation temperature, averaged carbon-carbon bond length, pair correlation function, binding energy and the distance between the graphene formed and the SiC substrate are quantified. The growth mechanism, graphitization of graphene on the SiC substrate and characteristics of the surface morphology of the graphene sheet obtained in our MD simulation compare well to that observed in epitaxially grown graphene experiments and other simulation works.

Indirect optical crosstalk reduction by highly-doped backside layer in single-photon avalanche diode arrays

NARCIS (Netherlands)

Osrečki, Željko; Knežević, Tihomir; Nanver, Lis K.; Suligoj, Tomislav

2018-01-01

A method of reducing indirect optical crosstalk in single-photon avalanche diode arrays is investigated by TCAD simulations. The reduction is accomplished by taking advantage of an enhanced optical absorption in a highly-doped Si layer on the backside of the wafer. A simulation environment was

Effect of the growth temperature and the AlN mole fraction on In incorporation and properties of quaternary III-nitride layers grown by molecular beam epitaxy

International Nuclear Information System (INIS)

Fernandez-Garrido, S.; Pereiro, J.; Munoz, E.; Calleja, E.; Redondo-Cubero, A.; Gago, R.; Bertram, F.; Christen, J.; Luna, E.; Trampert, A.

2008-01-01

Indium incorporation into wurtzite (0001)-oriented In x Al y Ga 1-x-y N layers grown by plasma-assisted molecular beam epitaxy was studied as a function of the growth temperature (565-635 deg. C) and the AlN mole fraction (0.01< y<0.27). The layer stoichiometry was determined by Rutherford backscattering spectrometry (RBS). RBS shows that indium incorporation decreased continuously with increasing growth temperature due to thermally enhanced dissociation of In-N bonds and for increasing AlN mole fractions. High resolution x-ray diffraction and transmission electron microscopy (TEM) measurements did not show evidence of phase separation. The mosaicity of the quaternary layers was found to be mainly determined by the growth temperature and independent on alloy composition within the range studied. However, depending on the AlN mole fraction, nanometer-sized composition fluctuations were detected by TEM. Photoluminescence spectra showed a single broad emission at room temperature, with energy and bandwidth S- and W-shaped temperature dependences typical of exciton localization by alloy inhomogeneities. Cathodoluminescence measurements demonstrated that the alloy inhomogeneities, responsible of exciton localization, occur on a lateral length scale below 150 nm, which is corroborated by TEM

Buffer-layer enhanced crystal growth of BaB6 (1 0 0) thin films on MgO (1 0 0) substrates by laser molecular beam epitaxy

International Nuclear Information System (INIS)

Kato, Yushi; Yamauchi, Ryosuke; Arai, Hideki; Tan, Geng; Tsuchimine, Nobuo; Kobayashi, Susumu; Saeki, Kazuhiko; Takezawa, Nobutaka; Mitsuhashi, Masahiko; Kaneko, Satoru; Yoshimoto, Mamoru

2012-01-01

Crystalline BaB 6 (1 0 0) thin films can be fabricated on MgO (1 0 0) substrates by inserting a 2-3 nm-thick epitaxial SrB 6 (1 0 0) buffer layer by pulsed laser deposition (PLD) in ultra-high vacuum (i.e., laser molecular beam epitaxy). Reflection high-energy electron diffraction and X-ray diffraction measurements indicated the heteroepitaxial structure of BaB 6 (1 0 0)/SrB 6 (1 0 0)/MgO (1 0 0) with the single domain of the epitaxial relationship. Conversely, BaB 6 thin films without the buffer layer were not epitaxial instead they developed as polycrystalline films with a random in-plane configuration and some impurity phases. As a result, the buffer layer is considered to greatly affect the initial growth of epitaxial BaB 6 thin films; therefore, in this study, buffering effects have been discussed. From the conventional four-probe measurement, it was observed that BaB 6 epitaxial thin films exhibit n-type semiconducting behavior with a resistivity of 2.90 × 10 -1 Ω cm at room temperature.

Impact of adding a second-layer to a single unlocked closure of Cesarean uterine incision: a randomized controlled trial

DEFF Research Database (Denmark)

Rudnicki, Martin; Bennich, G; Wilken-Jensen, C

2016-01-01

the criteria and accepted participation. Thirty-eight women were assigned to single-layer and 38 to double-layer unlocked closure technique. Groups were comparable regarding gestational age at delivery, duration of surgery and peroperative blood loss. RMT was without difference between the two groups, both......The purpose of the present study was to investigate short- and long term effects on residual myometrial thickness (RMT) by adding a second-layer to a single unlocked closure of caesarean uterine incision. METHOD: he study was a randomized double-blind controlled trial. Healthy nulliparous scheduled...... for first-time elective Caesarean delivery were operated using a modified version of the Misgav-Ladach surgical technique. The women were examined by abdominal ultrasound before discharge from the maternity ward and by hysterosonography five months post partum. RESULTS: Seventy-six nulliparous met...

Single versus double-layer uterine closure at cesarean: impact on lower uterine segment thickness at next pregnancy.

Science.gov (United States)

Vachon-Marceau, Chantale; Demers, Suzanne; Bujold, Emmanuel; Roberge, Stephanie; Gauthier, Robert J; Pasquier, Jean-Charles; Girard, Mario; Chaillet, Nils; Boulvain, Michel; Jastrow, Nicole

2017-07-01

Uterine rupture is a potential life-threatening complication during a trial of labor after cesarean delivery. Single-layer closure of the uterus at cesarean delivery has been associated with an increased risk of uterine rupture compared with double-layer closure. Lower uterine segment thickness measurement by ultrasound has been used to evaluate the quality of the uterine scar after cesarean delivery and is associated with the risk of uterine rupture. To estimate the impact of previous uterine closure on lower uterine segment thickness. Women with a previous single low-transverse cesarean delivery were recruited at 34-38 weeks' gestation. Transabdominal and transvaginal ultrasound evaluation of the lower uterine segment thickness was performed by a sonographer blinded to clinical data. Previous operative reports were reviewed to obtain the type of previous uterine closure. Third-trimester lower uterine segment thickness at the next pregnancy was compared according to the number of layers sutured and according to the type of thread for uterine closure, using weighted mean differences and multivariate logistic regression analyses. Of 1613 women recruited, with operative reports available, 495 (31%) had a single-layer and 1118 (69%) had a double-layer closure. The mean third-trimester lower uterine segment thickness was 3.3 ± 1.3 mm and the proportion with lower uterine segment thickness cesarean delivery is associated with a thicker third-trimester lower uterine segment and a reduced risk of lower uterine segment thickness <2.0 mm in the next pregnancy. The type of thread for uterine closure has no significant impact on lower uterine segment thickness. Copyright © 2017 Elsevier Inc. All rights reserved.

Single-cell transcriptomics uncovers distinct molecular signatures of stem cells in chronic myeloid leukemia.

Science.gov (United States)

Giustacchini, Alice; Thongjuea, Supat; Barkas, Nikolaos; Woll, Petter S; Povinelli, Benjamin J; Booth, Christopher A G; Sopp, Paul; Norfo, Ruggiero; Rodriguez-Meira, Alba; Ashley, Neil; Jamieson, Lauren; Vyas, Paresh; Anderson, Kristina; Segerstolpe, Åsa; Qian, Hong; Olsson-Strömberg, Ulla; Mustjoki, Satu; Sandberg, Rickard; Jacobsen, Sten Eirik W; Mead, Adam J

2017-06-01

Recent advances in single-cell transcriptomics are ideally placed to unravel intratumoral heterogeneity and selective resistance of cancer stem cell (SC) subpopulations to molecularly targeted cancer therapies. However, current single-cell RNA-sequencing approaches lack the sensitivity required to reliably detect somatic mutations. We developed a method that combines high-sensitivity mutation detection with whole-transcriptome analysis of the same single cell. We applied this technique to analyze more than 2,000 SCs from patients with chronic myeloid leukemia (CML) throughout the disease course, revealing heterogeneity of CML-SCs, including the identification of a subgroup of CML-SCs with a distinct molecular signature that selectively persisted during prolonged therapy. Analysis of nonleukemic SCs from patients with CML also provided new insights into cell-extrinsic disruption of hematopoiesis in CML associated with clinical outcome. Furthermore, we used this single-cell approach to identify a blast-crisis-specific SC population, which was also present in a subclone of CML-SCs during the chronic phase in a patient who subsequently developed blast crisis. This approach, which might be broadly applied to any malignancy, illustrates how single-cell analysis can identify subpopulations of therapy-resistant SCs that are not apparent through cell-population analysis.

Localization of excitons by molecular layer formation in a polymer film

International Nuclear Information System (INIS)

Chattopadhyay, S.; Datta, A.

2005-01-01

Spin coated films of atactic polystyrene of two different molecular weights have been studied with uv spectroscopy and x-ray reflectivity, the film thickness (d) varying from ∼2R g to ∼12R g where R g is the unperturbed radius of gyration of the polymer. uv extinction due to the pure electronic singlet 1 A 1g → 1 E 1u is seen to increase with d -1 for 4R g ≤d≤12R g (region 1). This suggests excitonic interaction along d. The variation of total exciton energy (E) of the A 1g →E 1u singlet with d in region 1 can be well explained by formation of linear J-aggregates of polystyrene molecules, in a lattice with spacing 'a' (in A) R g g , along d. Atomic force microscopic images of the films show the presence of 'spheres' distributed randomly on film surfaces with in-plane dimensions matching a. From the variation of E with d -2 the effective mass (m eff ) of the exciton is also determined. For R g g (region 2) the extinction and E become essentially independent of d, indicating exciton localization along d, and the value of m eff becomes very large. This enhancement in the effective mass maybe used to quantify localization. The variations of electron density (ρ) with d, i.e., the electron density profiles (EDPs) of the films extracted from x-ray reflectivity studies, indicate formation of layers with period 'b' (in A), R g g parallel to substrate surface in region 2 and a constant ρ film in region 1. On raising the temperature of a typical film to 60 deg. C, the layering was seen to almost vanish, as obtained from both the EDP and the Patterson function of the reflectivity profile. The close correspondence between 'a' and 'b' indicates that the molecules forming the J-aggregates form the layers, too. The average difference in ρ between successive extrema in the EDPs in region 2, denoted by δ, can be used as the order parameter for the layering transition. For PS-5, δ>0 at d≅4R g , where the exciton is still delocalized. Layering reduces the Hamaker

Possibility designing half-wave and full-wave molecular rectifiers by using single benzene molecule

Science.gov (United States)

Abbas, Mohammed A.; Hanoon, Falah H.; Al-Badry, Lafy F.

2018-02-01

This work focused on possibility designing half-wave and full-wave molecular rectifiers by using single and two benzene rings, respectively. The benzene rings were threaded by a magnetic flux that changes over time. The quantum interference effect was considered as the basic idea in the rectification action, the para and meta configurations were investigated. All the calculations are performed by using steady-state theoretical model, which is based on the time-dependent Hamiltonian model. The electrical conductance and the electric current are considered as DC output signals of half-wave and full-wave molecular rectifiers. The finding in this work opens up the exciting potential to use these molecular rectifiers in molecular electronics.

Impact of growth and annealing conditions on the parameters of Ge/Si(001) relaxed layers grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Yurasov, D. V., E-mail: Inquisitor@ipm.sci-nnov.ru [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Bobrov, A. I. [Lobachevsky State University of Nizhny Novgorod (Russian Federation); Daniltsev, V. M.; Novikov, A. V. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Pavlov, D. A. [Lobachevsky State University of Nizhny Novgorod (Russian Federation); Skorokhodov, E. V.; Shaleev, M. V.; Yunin, P. A. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

2015-11-15

Influence of the Ge layer thickness and annealing conditions on the parameters of relaxed Ge/Si(001) layers grown by molecular beam epitaxy via two-stage growth is investigated. The dependences of the threading dislocation density and surface roughness on the Ge layer thickness, annealing temperature and time, and the presence of a hydrogen atmosphere are obtained. As a result of optimization of the growth and annealing conditions, relaxed Ge/Si(001) layers which are thinner than 1 μm with a low threading dislocation density on the order of 10{sup 7} cm{sup –2} and a root mean square roughness of less than 1 nm are obtained.

Single Molecule Nanoelectrochemistry in Electrical Junctions.

Science.gov (United States)

Nichols, Richard J; Higgins, Simon J

2016-11-15

gating. This has been referred to as to a "single molecule transistor configuration" with the gate voltage being provided by the controllable potential achieved through the electrochemical double layer. It is shown how the electrolyte medium can control such gating, with ionic liquids providing more efficient gate coupling than aqueous electrolytes. Control of the conductance of viologen molecular wires can also be achieved by encapsulating the viologen redox moiety within a molecular cage, thereby controlling its immediate environment. Molecular conductance can also be gated through multiple redox states. This has been shown for the redox moiety pyrrolo-tetrathiafulvalene, which undergoes single molecule electrochemical transistor gating through three redox states in molecular junctions. Charge transport through this junction follows a two-step hopping mechanism, demonstrating the role of the redox center in electron transfer across the molecular bridge. Recent electrolyte gating studies of rigid, conjugated redox-active metal complexes with tailored terpyridine coordinating ligands and anchors are also presented. These aforementioned studies have all been performed with gold electrode contacts. The Account concludes with recent data showing that it is now possible to study single molecule electrochemical gating with nickel electrodes. This opens up new perspectives for studying interfacial charge transfer with a wide variety of other electrode materials including semiconductor electrodes and also points toward future opportunities for coupling molecular spintronics and nanoelectrochemistry.

Temporal and spatial evolution characteristics of disturbance wave in a hypersonic boundary layer due to single-frequency entropy disturbance.

Science.gov (United States)

Wang, Zhenqing; Tang, Xiaojun; Lv, Hongqing; Shi, Jianqiang

2014-01-01

By using a high-order accurate finite difference scheme, direct numerical simulation of hypersonic flow over an 8° half-wedge-angle blunt wedge under freestream single-frequency entropy disturbance is conducted; the generation and the temporal and spatial nonlinear evolution of boundary layer disturbance waves are investigated. Results show that, under the freestream single-frequency entropy disturbance, the entropy state of boundary layer is changed sharply and the disturbance waves within a certain frequency range are induced in the boundary layer. Furthermore, the amplitudes of disturbance waves in the period phase are larger than that in the response phase and ablation phase and the frequency range in the boundary layer in the period phase is narrower than that in these two phases. In addition, the mode competition, dominant mode transformation, and disturbance energy transfer exist among different modes both in temporal and in spatial evolution. The mode competition changes the characteristics of nonlinear evolution of the unstable waves in the boundary layer. The development of the most unstable mode along streamwise relies more on the motivation of disturbance waves in the upstream than that of other modes on this motivation.

Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer.

Science.gov (United States)

Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J

2016-06-09

Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack.

Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

Science.gov (United States)

Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

2008-02-19

Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

Epitaxial Single-Layer MoS2 on GaN with Enhanced Valley Helicity

KAUST Repository

Wan, Yi

2017-12-19

Engineering the substrate of 2D transition metal dichalcogenides can couple the quasiparticle interaction between the 2D material and substrate, providing an additional route to realize conceptual quantum phenomena and novel device functionalities, such as realization of a 12-time increased valley spitting in single-layer WSe2 through the interfacial magnetic exchange field from a ferromagnetic EuS substrate, and band-to-band tunnel field-effect transistors with a subthreshold swing below 60 mV dec−1 at room temperature based on bilayer n-MoS2 and heavily doped p-germanium, etc. Here, it is demonstrated that epitaxially grown single-layer MoS2 on a lattice-matched GaN substrate, possessing a type-I band alignment, exhibits strong substrate-induced interactions. The phonons in GaN quickly dissipate the energy of photogenerated carriers through electron–phonon interaction, resulting in a short exciton lifetime in the MoS2/GaN heterostructure. This interaction enables an enhanced valley helicity at room temperature (0.33 ± 0.05) observed in both steady-state and time-resolved circularly polarized photoluminescence measurements. The findings highlight the importance of substrate engineering for modulating the intrinsic valley carriers in ultrathin 2D materials and potentially open new paths for valleytronics and valley-optoelectronic device applications.

Epitaxial Single-Layer MoS2 on GaN with Enhanced Valley Helicity

KAUST Repository

Wan, Yi; Xiao, Jun; Li, Jingzhen; Fang, Xin; Zhang, Kun; Fu, Lei; Li, Pan; Song, Zhigang; Zhang, Hui; Wang, Yilun; Zhao, Mervin; Lu, Jing; Tang, Ning; Ran, Guangzhao; Zhang, Xiang; Ye, Yu; Dai, Lun

2017-01-01

Engineering the substrate of 2D transition metal dichalcogenides can couple the quasiparticle interaction between the 2D material and substrate, providing an additional route to realize conceptual quantum phenomena and novel device functionalities, such as realization of a 12-time increased valley spitting in single-layer WSe2 through the interfacial magnetic exchange field from a ferromagnetic EuS substrate, and band-to-band tunnel field-effect transistors with a subthreshold swing below 60 mV dec−1 at room temperature based on bilayer n-MoS2 and heavily doped p-germanium, etc. Here, it is demonstrated that epitaxially grown single-layer MoS2 on a lattice-matched GaN substrate, possessing a type-I band alignment, exhibits strong substrate-induced interactions. The phonons in GaN quickly dissipate the energy of photogenerated carriers through electron–phonon interaction, resulting in a short exciton lifetime in the MoS2/GaN heterostructure. This interaction enables an enhanced valley helicity at room temperature (0.33 ± 0.05) observed in both steady-state and time-resolved circularly polarized photoluminescence measurements. The findings highlight the importance of substrate engineering for modulating the intrinsic valley carriers in ultrathin 2D materials and potentially open new paths for valleytronics and valley-optoelectronic device applications.

Development of efficient electrocatalysts via molecular hybridization of NiMn layered double hydroxide nanosheets and graphene

Science.gov (United States)

Ma, Wei; Ma, Renzhi; Wu, Jinghua; Sun, Pengzhan; Liu, Xiaohe; Zhou, Kechao; Sasaki, Takayoshi

2016-05-01

Ni2+Mn3+ layered double hydroxide (LDH) nanoplatelets have been hydrothermally synthesized in a homogeneous precipitation of mixed Ni2+/Mn2+ salts at a molar ratio of 2 : 1 via the hydrolysis of hexamethylenetetramine (HMT) and in situ oxidation with H2O2. After anion-exchange, NiMn LDH was exfoliated into unilamellar nanosheets. Subsequent flocculation of NiMn LDH nanosheets with (reduced) graphene oxide (GO/rGO) into superlattice composites was achieved and further tested as electrocatalysts for oxygen evolution reaction (OER). The face-to-face heteroassembly of NiMn LDH nanosheets with conductive rGO at an alternating sequence resulted in a small overpotential of 0.26 V and a Tafel slope of 46 mV per decade, which is much superior to as-exfoliated nanosheets. The analyses of electrochemical activity surface area (ECSA) and impedance spectra clearly indicated that the superlattice structure was ideal in facilitating the migration/transfer of the charge and reactants, revealing the electrochemical energetics and mechanism behind the synergistic effect arising from molecular hybridization. The proof of concept toward total water splitting using the newly developed hybrid electrocatalyst was demonstrated by an electrolysis cell powered by a single AA battery.Ni2+Mn3+ layered double hydroxide (LDH) nanoplatelets have been hydrothermally synthesized in a homogeneous precipitation of mixed Ni2+/Mn2+ salts at a molar ratio of 2 : 1 via the hydrolysis of hexamethylenetetramine (HMT) and in situ oxidation with H2O2. After anion-exchange, NiMn LDH was exfoliated into unilamellar nanosheets. Subsequent flocculation of NiMn LDH nanosheets with (reduced) graphene oxide (GO/rGO) into superlattice composites was achieved and further tested as electrocatalysts for oxygen evolution reaction (OER). The face-to-face heteroassembly of NiMn LDH nanosheets with conductive rGO at an alternating sequence resulted in a small overpotential of 0.26 V and a Tafel slope of 46 mV per decade

Effect of Chain Conformation on the Single-Molecule Melting Force in Polymer Single Crystals: Steered Molecular Dynamics Simulations Study.

Science.gov (United States)

Feng, Wei; Wang, Zhigang; Zhang, Wenke

2017-02-28

Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.

The influence of molecular layers of amines on the hydraulic resistance of piping systems and power plant equipment

Energy Technology Data Exchange (ETDEWEB)

Ryzhenkov, Viacheslav A.; Ryzhenkov, Artem V. [Moscow Power Engineering Institute / Technical Univ. (Russian Federation). Dept. of Industrial Heat and Power Systems; Petrova, Tamara I. [Moscow Power Engineering Institute / Technical Univ. (Russian Federation). Water and Fuel Technology Dept.

2012-07-15

The current state of pipeline systems and power equipment has a high accident rate due to intense corrosion, the accumulation of deposits on heat and in-line transfer surfaces, and high hydraulic resistance. Analysis and synthesis of published results shows that the solution to improving the efficiency of pipeline systems and power equipment can be approached from two directions: (i) the impact on the properties of transported media and (ii) changes in the properties of functional surfaces of pipelines and equipment. Improving the ''quality'' of the technological agents involves very substantial capital and operating costs, so the most promising way is to modify the surface properties. Studies conducted at the National Research University MPEI showed that these problems are solved more effectively by means of molecular layers of adsorbed amines on the functional surfaces of pipes and equipment. When present in a certain way with the optimal number of molecular amine layers, these significantly alter the surface properties of conventional structural materials, which leads to very substantial improvement in the hydrodynamic characteristics: reduction of the hydraulic resistance of pipelines and equipment (up to 40 %), almost complete stoppage of corrosion processes (up to 7 times), and a multiple (up to 10-fold) reduction in the rate of deposit accumulation. The method of adsorption of molecular amine layers and the equipment for its implementation developed on the basis of this research will not only reduce flow resistance, but will also significantly improve the operating efficiency of pipeline systems and power equipment generally. (orig.)

Breakthrough to Non-Vacuum Deposition of Single-Crystal, Ultra-Thin, Homogeneous Nanoparticle Layers: A Better Alternative to Chemical Bath Deposition and Atomic Layer Deposition

Directory of Open Access Journals (Sweden)

Yu-Kuang Liao

2017-04-01

Full Text Available Most thin-film techniques require a multiple vacuum process, and cannot produce high-coverage continuous thin films with the thickness of a few nanometers on rough surfaces. We present a new ”paradigm shift” non-vacuum process to deposit high-quality, ultra-thin, single-crystal layers of coalesced sulfide nanoparticles (NPs with controllable thickness down to a few nanometers, based on thermal decomposition. This provides high-coverage, homogeneous thickness, and large-area deposition over a rough surface, with little material loss or liquid chemical waste, and deposition rates of 10 nm/min. This technique can potentially replace conventional thin-film deposition methods, such as atomic layer deposition (ALD and chemical bath deposition (CBD as used by the Cu(In,GaSe2 (CIGS thin-film solar cell industry for decades. We demonstrate 32% improvement of CIGS thin-film solar cell efficiency in comparison to reference devices prepared by conventional CBD deposition method by depositing the ZnS NPs buffer layer using the new process. The new ZnS NPs layer allows reduction of an intrinsic ZnO layer, which can lead to severe shunt leakage in case of a CBD buffer layer. This leads to a 65% relative efficiency increase.

Chemical and morphological modifications of single layer graphene submitted to annealing in water vapor

Science.gov (United States)

Rolim, Guilherme Koszeniewski; Corrêa, Silma Alberton; Galves, Lauren Aranha; Lopes, João Marcelo J.; Soares, Gabriel Vieira; Radtke, Cláudio

2018-01-01

Modifications of single layer graphene transferred to SiO2/Si substrates resulting from annealing in water vapor were investigated. Near edge X-ray absorption fine structure spectroscopy evidenced graphene puckering between 400 and 500 °C. Synchrotron radiation based X-ray photoelectron spectroscopy showed variation of sp2 and sp3C bonding configurations specially in this same temperature range. Moreover, oxygen related functionalities are formed as a result of water vapor annealing. Based on these results and complementary Raman and nuclear reaction analysis, one distinguishes three different regimes of water interaction with graphene concerning modifications of the graphene layer. In the low temperature range (200-400 °C), no prominent modification of graphene itself is observed. At higher temperatures (400-500 °C), to accommodate newly formed oxygen functionalities, the flat and continuous sp2 bonding network of graphene is disrupted, giving rise to a puckered layer. For 600 °C and above, shrinking of graphene domains and a higher doping level take place.

Low temperature p-type doping of (Al)GaN layers using ammonia molecular beam epitaxy for InGaN laser diodes

Science.gov (United States)

Malinverni, M.; Lamy, J.-M.; Martin, D.; Feltin, E.; Dorsaz, J.; Castiglia, A.; Rossetti, M.; Duelk, M.; Vélez, C.; Grandjean, N.

2014-12-01

We demonstrate state-of-the-art p-type (Al)GaN layers deposited at low temperature (740 °C) by ammonia molecular beam epitaxy (NH3-MBE) to be used as top cladding of laser diodes (LDs) with the aim of further reducing the thermal budget on the InGaN quantum well active region. Typical p-type GaN resistivities and contact resistances are 0.4 Ω cm and 5 × 10-4 Ω cm2, respectively. As a test bed, we fabricated a hybrid laser structure emitting at 400 nm combining n-type AlGaN cladding and InGaN active region grown by metal-organic vapor phase epitaxy, with the p-doped waveguide and cladding layers grown by NH3-MBE. Single-mode ridge-waveguide LD exhibits a threshold voltage as low as 4.3 V for an 800 × 2 μm2 ridge dimension and a threshold current density of ˜5 kA cm-2 in continuous wave operation. The series resistance of the device is 6 Ω and the resistivity is 1.5 Ω cm, confirming thereby the excellent electrical properties of p-type Al0.06Ga0.94N:Mg despite the low growth temperature.

Hierarchical self-assembly of hexagonal single-crystal nanosheets into 3D layered superlattices with high conductivity

Science.gov (United States)

Tao, Yulun; Shen, Yuhua; Yang, Liangbao; Han, Bin; Huang, Fangzhi; Li, Shikuo; Chu, Zhuwang; Xie, Anjian

2012-05-01

While the number of man-made nano superstructures realized by self-assembly is growing in recent years, assemblies of conductive polymer nanocrystals, especially for superlattices, are still a significant challenge, not only because of the simplicity of the shape of the nanocrystal building blocks and their interactions, but also because of the poor control over these parameters in the fabrication of more elaborate nanocrystals. Here, we firstly report a facile and general route to a new generation of 3D layered superlattices of polyaniline doped with CSA (PANI-CSA) and show how PANI crystallize and self-assemble, in a suitable single solution environment. In cyclohexane, 1D amorphous nanofibers transformed to 1D nanorods as building blocks, and then to 2D single-crystal nanosheets with a hexagonal phase, and lastly to 3D ordered layered superlattices with the narrowest polydispersity value (Mw/Mn = 1.47). Remarkably, all the instructions for the hierarchical self-assembly are encoded in the layered shape in other non-polar solvents (hexane, octane) and their conductivity in the π-π stacking direction is improved to about 50 S cm-1, which is even higher than that of the highest previously reported value (16 S cm-1). The method used in this study is greatly expected to be readily scalable to produce superlattices of conductive polymers with high quality and low cost.While the number of man-made nano superstructures realized by self-assembly is growing in recent years, assemblies of conductive polymer nanocrystals, especially for superlattices, are still a significant challenge, not only because of the simplicity of the shape of the nanocrystal building blocks and their interactions, but also because of the poor control over these parameters in the fabrication of more elaborate nanocrystals. Here, we firstly report a facile and general route to a new generation of 3D layered superlattices of polyaniline doped with CSA (PANI-CSA) and show how PANI crystallize and

On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination

International Nuclear Information System (INIS)

Panjikar, Santosh; Parthasarathy, Venkataraman; Lamzin, Victor S.; Weiss, Manfred S.; Tucker, Paul A.

2009-01-01

The combination of molecular replacement and single-wavelength anomalous diffraction improves the performance of automated structure determination with Auto-Rickshaw. A combination of molecular replacement and single-wavelength anomalous diffraction phasing has been incorporated into the automated structure-determination platform Auto-Rickshaw. The complete MRSAD procedure includes molecular replacement, model refinement, experimental phasing, phase improvement and automated model building. The improvement over the standard SAD or MR approaches is illustrated by ten test cases taken from the JCSG diffraction data-set database. Poor MR or SAD phases with phase errors larger than 70° can be improved using the described procedure and a large fraction of the model can be determined in a purely automatic manner from X-ray data extending to better than 2.6 Å resolution

Increasing low frequency sound attenuation using compounded single layer of sonic crystal

Science.gov (United States)

Gulia, Preeti; Gupta, Arpan

2018-05-01

Sonic crystals (SC) are man-made periodic structures where sound hard scatterers are arranged in a crystalline manner. SC reduces noise in a particular range of frequencies called as band gap. Sonic crystals have a promising application in noise shielding; however, the application is limited due to the size of structure. Particularly for low frequencies, the structure becomes quite bulky, restricting its practical application. This paper presents a compounded model of SC, which has the same overall area and filling fraction but with increased low frequency sound attenuation. Two cases have been considered, a three layer SC and a compounded single layer SC. Both models have been analyzed using finite element simulation and plane wave expansion method. Band gaps for periodic structures have been obtained using both methods which are in good agreement. Further, sound transmission loss has been evaluated using finite element method. The results demonstrate the use of compounded model of Sonic Crystal for low frequency sound attenuation.

Superconductivity and electronic structure in single-layer FeSe on SrTiO{sub 3} probed by scanning tunneling microscopy

Energy Technology Data Exchange (ETDEWEB)

Jandke, Jasmin; Dressner, Jonas; Wulfhekel, Wulf [Physikalisches Institut, Karlsruhe Institute of Technology (Germany); Yang, Fang; Gao, Chunlei [Fudan Universitaet, Shanghai (China)

2016-07-01

We use high-resolution scanning tunneling spectroscopy (STS) to study single-layer FeSe on Nb-doped SrTiO{sub 3} (001). Features of bosonic excitations were observed in the measured quasiparticle density of states. Furthermore, using STS, quasiparticle interference (QPI) imaging was performed in order to map the multiband electronic structure of FeSe. Compared to previous measurements, an additional feature is visible in our measured QPI maps on a single-layer FeSe/SrTiO{sub 3}. The origin of this feature will be discussed.

Efficient polymer white-light-emitting diodes with a single-emission layer of fluorescent polymer blend

International Nuclear Information System (INIS)

Niu Qiaoli; Xu Yunhua; Jiang Jiaxing; Peng Junbiao; Cao Yong

2007-01-01

Efficient polymer white-light-emitting diodes (WPLEDs) have been fabricated with a single layer of fluorescent polymer blend. The device structure consists of ITO/PEDOT/PVK/emissive layer/Ba/Al. The emissive layer is a blend of poly(9,9-dioctylfluorene) (PFO), phenyl-substituted PPV derivative (P-PPV) and a copolymer of 9,9-dioctylfluorene and 4,7-di(4-hexylthien-2-yl)-2,1,3-benzothiadiazole (PFO-DHTBT), which, respectively, emits blue, green and red light. The emission of pure and efficient white light was implemented by tuning the blend weight ratio of PFO: P-PPV: PFO-DHTBT to 96:4:0.4. The maximum current efficiency and luminance are, respectively, 7.6 cd/A at 6.7 V and 11930 cd/m 2 at 11.2 V. The CIE coordinates of white-light emission were stable with the drive voltages

Two-layer anti-reflection strategies for implant applications

Science.gov (United States)

Guerrero, Douglas J.; Smith, Tamara; Kato, Masakazu; Kimura, Shigeo; Enomoto, Tomoyuki

2006-03-01

A two-layer bottom anti-reflective coating (BARC) concept in which a layer that develops slowly is coated on top of a bottom layer that develops more rapidly was demonstrated. Development rate control was achieved by selection of crosslinker amount and BARC curing conditions. A single-layer BARC was compared with the two-layer BARC concept. The single-layer BARC does not clear out of 200-nm deep vias. When the slower developing single-layer BARC was coated on top of the faster developing layer, the vias were cleared. Lithographic evaluation of the two-layer BARC concept shows the same resolution advantages as the single-layer system. Planarization properties of a two-layer BARC system are better than for a single-layer system, when comparing the same total nominal thicknesses.

Molecular Processes Studied at a Single-Molecule Level Using DNA Origami Nanostructures and Atomic Force Microscopy

Directory of Open Access Journals (Sweden)

Ilko Bald

2014-09-01

Full Text Available DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates.

Effect of Substrate Permittivity and Thickness on Performance of Single-Layer, Wideband, U-Slot Antennas on Microwave Substrates

National Research Council Canada - National Science Library

Natarajan, V; Chatterjee, D

2004-01-01

This paper presents effects of substrate permittivity and thickness on the performance characteristics like impedance bandwidth, radiation efficiency and gain of a single-layer, wideband, U-slot antenna...

Reduction of buffer layer conduction near plasma-assisted molecular-beam epitaxy grown GaN/AlN interfaces by beryllium doping

International Nuclear Information System (INIS)

Storm, D.F.; Katzer, D.S.; Binari, S.C.; Glaser, E.R.; Shanabrook, B.V.; Roussos, J.A.

2002-01-01

Beryllium doping of epitaxial GaN layers is used to reduce leakage currents through interfacial or buffer conducting layers grown by plasma-assisted molecular-beam epitaxy on SiC. Capacitance-voltage measurements of Schottky barrier test structures and dc pinch-off characteristics of unintentionally doped GaN high-electron-mobility transistors indicate that these leakage currents are localized near the GaN/AlN interface of our AlGaN/GaN/AlN device structures. Insertion of a 2000 Aa Be:GaN layer at the interface reduces these currents by three orders of magnitude

Effect of molecular properties on the performance of polymer light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Ramos, Marta M.D.; Almeida, A.M.; Correia, Helena M.G.; Ribeiro, R. Mendes; Stoneham, A.M

2004-11-15

The performance of a single layer polymer light-emitting diode depends on several interdependent factors, although recombination between electrons and holes within the polymer layer is believed to play an important role. Our aim is to carry out computer experiments in which bipolar charge carriers are injected in polymer networks made of poly(p-phenylene vinylene) chains randomly oriented. In these simulations, we follow the charge evolution in time from some initial state to the steady state. The intra-molecular properties of the polymer molecules obtained from self-consistent quantum molecular dynamics calculations are used in the mesoscopic model. The purpose of the present work is to clarify the effects of intra-molecular charge mobility and energy disorder on recombination efficiency. In particular, we find that charge mobility along the polymer chains has a serious influence on recombination within the polymer layer. Our results also show that energy disorder due to differences in ionization potential and electron affinity of neighbouring molecules affects mainly recombinations that occur near the electrodes at polymer chains parallel to them.

Effect of molecular properties on the performance of polymer light-emitting diodes

International Nuclear Information System (INIS)

Ramos, Marta M.D.; Almeida, A.M.; Correia, Helena M.G.; Ribeiro, R. Mendes; Stoneham, A.M.

2004-01-01

The performance of a single layer polymer light-emitting diode depends on several interdependent factors, although recombination between electrons and holes within the polymer layer is believed to play an important role. Our aim is to carry out computer experiments in which bipolar charge carriers are injected in polymer networks made of poly(p-phenylene vinylene) chains randomly oriented. In these simulations, we follow the charge evolution in time from some initial state to the steady state. The intra-molecular properties of the polymer molecules obtained from self-consistent quantum molecular dynamics calculations are used in the mesoscopic model. The purpose of the present work is to clarify the effects of intra-molecular charge mobility and energy disorder on recombination efficiency. In particular, we find that charge mobility along the polymer chains has a serious influence on recombination within the polymer layer. Our results also show that energy disorder due to differences in ionization potential and electron affinity of neighbouring molecules affects mainly recombinations that occur near the electrodes at polymer chains parallel to them

Sm-doped CeO{sub 2} single buffer layer for YBCO coated conductors by polymer assisted chemical solution deposition (PACSD) method

Energy Technology Data Exchange (ETDEWEB)

Li, G.; Pu, M.H.; Sun, R.P.; Wang, W.T.; Wu, W.; Zhang, X.; Yang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Zhao, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia)], E-mail: yzhao@home.swjtu.edu.cn

2008-10-20

An over 150 nm thick Sm{sub 0.2}Ce{sub 0.8}O{sub 1.9-x} (SCO) single buffer layer has been deposited on bi-axially textured NiW (2 0 0) alloy substrate. Highly in-plane and out-of-plane oriented, dense, smooth and crack free SCO single layer has been obtained via a polymer-assisted chemical solution deposition (PACSD) approach. YBCO thin film has been deposited equally via a PACSD route on the SCO-buffered NiW, the as grown YBCO yielding a sharp transition at T{sub c0} = 87 K as well as J{sub c}(0 T, 77 K) {approx} 1 MA/cm{sup 2}. These results indicates that RE (lanthanides other than Ce) doping may be an effective approach to improve the critical thickness of solution derived CeO{sub 2} film, which renders it a promising candidate as single buffer layer for YBCO coated conductors.

Single-Layer Halide Perovskite Light-Emitting Diodes with Sub-Band Gap Turn-On Voltage and High Brightness.

Science.gov (United States)

Li, Junqiang; Shan, Xin; Bade, Sri Ganesh R; Geske, Thomas; Jiang, Qinglong; Yang, Xin; Yu, Zhibin

2016-10-03

Charge-carrier injection into an emissive semiconductor thin film can result in electroluminescence and is generally achieved by using a multilayer device structure, which requires an electron-injection layer (EIL) between the cathode and the emissive layer and a hole-injection layer (HIL) between the anode and the emissive layer. The recent advancement of halide perovskite semiconductors opens up a new path to electroluminescent devices with a greatly simplified device structure. We report cesium lead tribromide light-emitting diodes (LEDs) without the aid of an EIL or HIL. These so-called single-layer LEDs have exhibited a sub-band gap turn-on voltage. The devices obtained a brightness of 591 197 cd m -2 at 4.8 V, with an external quantum efficiency of 5.7% and a power efficiency of 14.1 lm W -1 . Such an advancement demonstrates that very high efficiency of electron and hole injection can be obtained in perovskite LEDs even without using an EIL or HIL.

Controlling single and few-layer graphene crystals growth in a solid carbon source based chemical vapor deposition

International Nuclear Information System (INIS)

Papon, Remi; Sharma, Subash; Shinde, Sachin M.; Vishwakarma, Riteshkumar; Tanemura, Masaki; Kalita, Golap

2014-01-01

Here, we reveal the growth process of single and few-layer graphene crystals in the solid carbon source based chemical vapor deposition (CVD) technique. Nucleation and growth of graphene crystals on a polycrystalline Cu foil are significantly affected by the injection of carbon atoms with pyrolysis rate of the carbon source. We observe micron length ribbons like growth front as well as saturated growth edges of graphene crystals depending on growth conditions. Controlling the pyrolysis rate of carbon source, monolayer and few-layer crystals and corresponding continuous films are obtained. In a controlled process, we observed growth of large monolayer graphene crystals, which interconnect and merge together to form a continuous film. On the other hand, adlayer growth is observed with an increased pyrolysis rate, resulting few-layer graphene crystal structure and merged continuous film. The understanding of monolayer and few-layer crystals growth in the developed CVD process can be significant to grow graphene with controlled layer numbers.

Molecular characterization of organic electronic films.

Science.gov (United States)

DeLongchamp, Dean M; Kline, R Joseph; Fischer, Daniel A; Richter, Lee J; Toney, Michael F

2011-01-18

Organic electronics have emerged as a viable competitor to amorphous silicon for the active layer in low-cost electronics. The critical performance of organic electronic materials is closely related to their morphology and molecular packing. Unlike their inorganic counterparts, polymers combine complex repeat unit structure and crystalline disorder. This combination prevents any single technique from being able to uniquely solve the packing arrangement of the molecules. Here, a general methodology for combining multiple, complementary techniques that provide accurate unit cell dimensions and molecular orientation is described. The combination of measurements results in a nearly complete picture of the organic film morphology. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Comparison of Engineering Properties Between Single and Double Layer Porous Asphalt made of Packing Gradation

Directory of Open Access Journals (Sweden)

Hardiman M. Y

2008-01-01

Full Text Available is paper presents the comparison of engineering properties between single and double layer porous asphalt (SLPA and DLPA made of packing gradation. Three nominal maximum aggregate sizes (NMAS were tested each made up of 10, 14, and 20 mm for SLPA. While for the DLPA with 30, 20, and 15 mm top layer are made of 10 and 14 mm NMAS, with a base layer of 20 mm NMAS. Total thickness of all mixes is 70 mm. Binders used are 60/70 penetration base bitumen and polymer binder styrene-butadiene-styrene (SBS. The result shows that the properties of SLPA mix namely permeability and resistance to abrasion loss decreases when the NMAS in SLPA decreases. The abrasion loss of DLPA mixes increases when the porous asphalt top layer thickness decreases, while drainage time value decreases. However, SLPA with 20 mm NMAS exhibits higher abrasion loss compared to all DLPA mixes.

Narrow ridge waveguide high power single mode 1.3-μm InAs/InGaAs ten-layer quantum dot lasers

Directory of Open Access Journals (Sweden)

Cao Q

2007-01-01

Full Text Available AbstractTen-layer InAs/In0.15Ga0.85As quantum dot (QD laser structures have been grown using molecular beam epitaxy (MBE on GaAs (001 substrate. Using the pulsed anodic oxidation technique, narrow (2 μm ridge waveguide (RWG InAs QD lasers have been fabricated. Under continuous wave operation, the InAs QD laser (2 × 2,000 μm2 delivered total output power of up to 272.6 mW at 10 °C at 1.3 μm. Under pulsed operation, where the device heating is greatly minimized, the InAs QD laser (2 × 2,000 μm2 delivered extremely high output power (both facets of up to 1.22 W at 20 °C, at high external differential quantum efficiency of 96%. Far field pattern measurement of the 2-μm RWG InAs QD lasers showed single lateral mode operation.

Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

KAUST Repository

Kadoura, Ahmad Salim; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim

2016-01-01

In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard

Two-dimensional carbon crystals. Electrical transport in single- and double-layer graphene; Zweidimensionale Kohlenstoffkristalle. Elektrischer Transport in Einzel- und Doppellagen-Graphen

Energy Technology Data Exchange (ETDEWEB)

Schmidt, Hennrik

2012-02-03

In his work atomically thin layers of carbon, socalled graphene, are investigated. These systems exhibit outstanding electronic properties which are analysed using magnetotransport measurements. For this purpose, different types of samples are prepared, analysed and discussed. In addition to conventional single layer and single crystal bilayer systems, folded flakes with twisted planes are examined. Since monolayer graphene is a two dimensional crystal in which every atom sits at the surface, it is very sensitive to any type of perturbation. Three different cases are investigated: Firstly, dopants are removed from the surface and the change in transport properties is monitored. Secondly, the regime of small carrier concentrations is used to observe field induced recharging of inhomogeneities. Thirdly, an atomic force microscope is used to alter the graphene itself in a defined region. The implications of this modification are again investigated using magnetotransport measurements. The influence of one layer on another one is studied in decoupled two layer samples. A folded sample with separatly contacted layers is used to show transport through the folded region. For jointly contacted layers parallel transport measurements are performed to analyse screening effects of an applied electric field and substrate influence. The interaction of the two layers is shown by a significant reduction of the Fermivelocity.

The roles of wetting liquid in the transfer process of single layer graphene onto arbitrary substrates.

Science.gov (United States)

Kim, Ju Hun; Yi, Junghwa; Jin, Hyeong Ki; Kim, Un Jeong; Park, Wanjun

2013-11-01

Wet transfer is crucial for most device structures of the proposed applications employing single layer graphene in order to take advantage of the unique physical, chemical, bio-chemical and electrical properties of the graphene. However, transfer methodologies that can be used to obtain continuous film without voids, wrinkles and cracks are limited although film perfectness critically depends on the relative surface tension of wetting liquids on the substrate. We report the importance of wetting liquid in the transfer process with a systematic study on the parameters governing film integrity in single layer graphene grown via chemical vapor deposition. Two different suspension liquids (in terms of polar character) are tested for adequacy of transfer onto SiO2 and hexamethyldisiloxane (HMDS). We found that the relative surface tension of the wetting liquid on the surfaces of the substrate is related to transfer quality. In addition, dimethyl sulfoxide (DMSO) is introduced as a good suspension liquid to HMDS, a mechanically flexible substrate.

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.

Low-temperature atomic layer epitaxy of AlN ultrathin films by layer-by-layer, in-situ atomic layer annealing.

Science.gov (United States)

Shih, Huan-Yu; Lee, Wei-Hao; Kao, Wei-Chung; Chuang, Yung-Chuan; Lin, Ray-Ming; Lin, Hsin-Chih; Shiojiri, Makoto; Chen, Miin-Jang

2017-01-03

Low-temperature epitaxial growth of AlN ultrathin films was realized by atomic layer deposition (ALD) together with the layer-by-layer, in-situ atomic layer annealing (ALA), instead of a high growth temperature which is needed in conventional epitaxial growth techniques. By applying the ALA with the Ar plasma treatment in each ALD cycle, the AlN thin film was converted dramatically from the amorphous phase to a single-crystalline epitaxial layer, at a low deposition temperature of 300 °C. The energy transferred from plasma not only provides the crystallization energy but also enhances the migration of adatoms and the removal of ligands, which significantly improve the crystallinity of the epitaxial layer. The X-ray diffraction reveals that the full width at half-maximum of the AlN (0002) rocking curve is only 144 arcsec in the AlN ultrathin epilayer with a thickness of only a few tens of nm. The high-resolution transmission electron microscopy also indicates the high-quality single-crystal hexagonal phase of the AlN epitaxial layer on the sapphire substrate. The result opens a window for further extension of the ALD applications from amorphous thin films to the high-quality low-temperature atomic layer epitaxy, which can be exploited in a variety of fields and applications in the near future.

Thin film complementary metal oxide semiconductor (CMOS) device using a single-step deposition of the channel layer

KAUST Repository

Nayak, Pradipta K.; Caraveo-Frescas, J. A.; Wang, Zhenwei; Hedhili, Mohamed N.; Wang, Q. X.; Alshareef, Husam N.

2014-01-01

We report, for the first time, the use of a single step deposition of semiconductor channel layer to simultaneously achieve both n-and p-type transport in transparent oxide thin film transistors (TFTs). This effect is achieved by controlling

Molecular imaging and optical diagnosis from single molecule to human body

International Nuclear Information System (INIS)

Tamura, Mamoru

2006-01-01

The combination of molecular biology and optelectronics has given rise to open a new field, bio-photonics, in the 21st century. In this review, recent advances in several in vitro and in vivo single-molecule detection methods for animals are discussed. The possible applications of optical diagnosis are also included, which are optical mammography, diffuse optical tomography and fluorescence endoscopy. The potential of the light use of in diagnosis is emphasized. (author)

Improving Single-Carbon-Nanotube-Electrode Contacts Using Molecular Electronics.

Science.gov (United States)

Krittayavathananon, Atiweena; Ngamchuea, Kamonwad; Li, Xiuting; Batchelor-McAuley, Christopher; Kätelhön, Enno; Chaisiwamongkhol, Korbua; Sawangphruk, Montree; Compton, Richard G

2017-08-17

We report the use of an electroactive species, acetaminophen, to modify the electrical connection between a carbon nanotube (CNT) and an electrode. By applying a potential across two electrodes, some of the CNTs in solution occasionally contact the electrified interface and bridge between two electrodes. By observing a single CNT contact between two microbands of an interdigitated Au electrode in the presence and absence of acetaminophen, the role of the molecular species at the electronic junction is revealed. As compared with the pure CNT, the current magnitude of the acetaminophen-modified CNTs significantly increases with the applied potentials, indicating that the molecule species improves the junction properties probably via redox shuttling.

Single-layer versus double-layer laparoscopic intracorporeally sutured gastrointestinal anastomoses in the canine model.

Science.gov (United States)

Tavakoli, Azine; Bakhtiari, Jalal; Khalaj, Ali Reza; Gharagozlou, Mohammad Javad; Veshkini, Abbas

2010-01-01

The objective of this study was to compare the gross and histopathologic changes following 1- versus 2-layer hand-sewn suture techniques in laparoscopic gastrointestinal anastomosis in dogs. This was an experimental prospective study of 16 healthy mixed breed male and female dogs. Animals were randomly divided into 2 groups. Two-layer side-to-side hand-sewn laparoscopic gastrojejunostomies were performed in group A, so that simple interrupted sutures were placed in the outer layer and simple continuous suture was used in the inner layer. The 1-layer simple continuous anastomosis between the stomach and jejunum was done in group B precisely. Specimen were collected from the sites of anastomosis, and H&E statining was performed for light microscopic studies. All animals survived the surgery. There was no gross inflammation, ischemia, apparent granulation tissue, abscess or fistula formation, leakage or stricture formation, and all sites of anastomosis were patent. Several adhesion formations were found in the abdomen with the higher incidence in the control group. Mean scores of leukocyte infiltration and granulation tissue formation at the sites of anastomosis were statistically insignificant between groups (P>0.05). Gross and histopathologic findings revealed that hand-sewn laparoscopic gastrointestinal anastomosis with the 1-layer suture technique is comparable to the 2-layer suture technique.

Single layered flexible photo-detector based on perylene/graphene composite through printed technology

Science.gov (United States)

Ali, Shawkat; Bae, Jinho; Lee, Chong Hyun

2015-07-01

In this paper, a single layered passive photo sensor based on perylene/graphene composite is proposed, which is deposited in comb type silver electrodes separated as 50 μm spacing. To increase an electrical conductivity of the proposed sensor, perylene and graphene are blended. Photo sensing layer (120nm thick) and Silver electrodes (50 μm width, 350 nm thick) are deposited on poly(ethylene terephthalate) (PET) substrate through electro-hydrodynamic (EHD) system. The proposed photo sensor detects a terminal resistance inversely varied by an incident light in the range between 78 GΩ in dark and 25 GΩ at light intensity of 400lux. The device response is maximum at 465 nm ~ 535 nm wavelength range at blue light. The device exhibited bendability up to 4mm diameter for 1000 endurance cycles. The surface morphology analysis is carried out with FE-SEM and microscope.

SOFT COMPUTING SINGLE HIDDEN LAYER MODELS FOR SHELF LIFE PREDICTION OF BURFI

Directory of Open Access Journals (Sweden)

Sumit Goyal

2012-05-01

Full Text Available Burfi is an extremely popular sweetmeat, which is prepared by desiccating the standardized water buffalo milk. Soft computing feedforward single layer models were developed for predicting the shelf life of burfi stored at 30g.C. The data of the product relating to moisture, titratable acidity, free fatty acids, tyrosine, and peroxide value were used as input variables, and the overall acceptability score as output variable. The results showed excellent agreement between the experimental and the predicted data, suggesting that the developed soft computing model can alternatively be used for predicting the shelf life of burfi.

Spin models for the single molecular magnet Mn12-AC

Science.gov (United States)

Al-Saqer, Mohamad A.

2005-11-01

The single molecular magnet (SMM) Mn12-AC attracted the attention of scientists since the discovery of its magnetic hystereses which are accompanied by sudden jumps in magnetic moments at low temperature. Unlike conventional bulk magnets, hysteresis in SMMs is of molecular origin. This qualifies them as candidates for next generation of high density storage media where a molecule which is at most few nanometers in size can be used to store a bit of information. However, the jumps in these hystereses, due to spin tunneling, can lead to undesired loss of information. Mn12-AC molecule contains twelve magnetic ions antiferromagnetically coupled by exchanges leading to S = 10 ground state manifold. The magnetic ions are surrounded by ligands which isolate them magnetically from neighboring molecules. The lowest state of S = 9 manifold is believed to lie at about 40 K above the ground state. Therefore, at low temperatures, the molecule is considered as a single uncoupled moment of spin S = 10. Such model has been used widely to understand phenomena exhibited by the molecule at low temperatures including the tunneling of its spin, while a little attention has been paid for the multi-spin nature of the molecule. Using the 8-spin model, we demonstrate that in order to understand the phenomena of tunneling, a full spin description of the molecule is required. We utilized a calculation scheme where a fraction of energy levels are used in the calculations and the influence of levels having higher energy is neglected. From the dependence of tunnel splittings on the number of states include, we conclude that models based on restricting the number of energy levels (single-spin and 8-spin models) lead to unreliable results of tunnel splitting calculations. To attack the full 12-spin model, we employed the Davidson algorithm to calculated lowest energy levels produced by exchange interactions and single ion anisotropies. The model reproduces the anisotropy properties at low

Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

KAUST Repository

Saad, Ahmed Mohamed

2016-01-01

potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical

Molecular characterization and expression profiling of BMP 3 gene in broiler and layer chicken.

Science.gov (United States)

Divya, Devara; Bhattacharya, Tarun Kumar; Gnana Prakash, Manthani; Chatterjee, R N; Shukla, Renu; Guru Vishnu, Pothana Boyina; Vinoth, Amirthalingam; Dushyanth, Kotha

2018-04-10

A study was carried out to characterize and explore the expression profile of BMP 3 gene in control broiler and control layer chicken. The total open reading frame of BMP 3 (1389 bp) was cloned and sequenced. The control broiler and control layer chicken showed variation at nucleotide and amino acid level with reference gene (Gallus gallus, NCBI Acc. No. NM_001034819). When compared to reference gene, the control broiler showed four nucleotide differences (c.192A>G, c.519C>T, 903G>A and 960C>G), while, control layer showed variation at c.33G>C, 192A>G, 858G>A, 904G>A, 960C>G and 1257C>T making six differences in total. However, between control broiler and control layer lines, nucleotide differences was observed at c.33G>C, 519T>C, 858G>A, 903A>G, 904G>A and 1257C>T. The change at amino acid level between reference and control broiler was p.D320N and with control layer chicken, it was p.D302N and p.D320N. On the other hand, a single amino acid difference (p.D302N) was observed between the control broiler and control layer chicken lines. The phylogenetic study displayed a close relationship between broiler and layer lines and reference gene and also with other avian species resulting in a cluster formation. These cluster in turn displayed a distant link with the mammalian species. The expression profile of BMP 3 gene exhibited a variation at different stages of embryonic development and also at post embryonic period among the lines with control layer showing higher expression than that of broiler chicken. The protein was also detected in bone marrow tissue of broiler and layer lines by western blotting. It is concluded that the BMP 3 gene sequence differed at nucleotide and amino acid level among the lines and the gene expressed differentially at different periods of embryonic development and also at post hatch period.

Spatially Extended and High-Velocity Dispersion Molecular Component in Spiral Galaxies: Single-Dish Versus Interferometric Observations

Science.gov (United States)

Caldú-Primo, Anahi; Schruba, Andreas; Walter, Fabian; Leroy, Adam; Bolatto, Alberto D.; Vogel, Stuart

2015-02-01

Recent studies of the molecular medium in nearby galaxies have provided mounting evidence that the molecular gas can exist in two phases: one that is clumpy and organized as molecular clouds and another one that is more diffuse. This last component has a higher velocity dispersion than the clumpy one. In order to investigate these two molecular components further, we compare the fluxes and line widths of CO in NGC 4736 and NGC 5055, two nearby spiral galaxies for which high-quality interferometric as well as single-dish data sets are available. Our analysis leads to two main results: (1) employing three different methods, we determine the flux recovery of the interferometer as compared to the single-dish to be within a range of 35%-74% for NGC 4736 and 81%-92% for NGC 5055, and (2) when focusing on high (S/N ≥ 5) lines of sight (LOSs), the single-dish line widths are larger by ˜(40 ± 20)% than the ones derived from interferometric data, which is in agreement with stacking all LOSs. These results point to a molecular gas component that is distributed over spatial scales larger than 30″(˜1 kpc), and is therefore filtered out by the interferometer. The available observations do not allow us to distinguish between a truly diffuse gas morphology and a uniform distribution of small clouds that are separated by less than the synthesized beam size (˜3″ or ˜100 pc), as they would both be invisible for the interferometer. This high velocity dispersion component has a dispersion similar to what is found in the atomic medium, as traced through observations of the H i line.

Trip-Induced Transition Measurements in a Hypersonic Boundary Layer Using Molecular Tagging Velocimetry

Science.gov (United States)

Bathel, Brett F.; Danehy, Paul M.; Jones, Stephen B.; Johansen, Craig T.; Goyne, Christopher P.

2013-01-01

Measurements of mean streamwise velocity, fluctuating streamwise velocity, and instantaneous streamwise velocity profiles in a hypersonic boundary layer were obtained over a 10-degree half-angle wedge model. A laser-induced fluorescence-based molecular tagging velocimetry technique was used to make the measurements. The nominal edge Mach number was 4.2. Velocity profiles were measured both in an untripped boundary layer and in the wake of a 4-mm diameter cylindrical tripping element centered 75.4 mm downstream of the sharp leading edge. Three different trip heights were investigated: k = 0.53 mm, k = 1.0 mm and k = 2.0 mm. The laminar boundary layer thickness at the position of the measurements was approximately 1 mm, though the exact thickness was dependent on Reynolds number and wall temperature. All of the measurements were made starting from a streamwise location approximately 18 mm downstream of the tripping element. This measurement region continued approximately 30 mm in the streamwise direction. Additionally, measurements were made at several spanwise locations. An analysis of flow features show how the magnitude, spatial location, and spatial growth of streamwise velocity instabilities are affected by parameters such as the ratio of trip height to boundary layer thickness and roughness Reynolds number. The fluctuating component of streamwise velocity measured along the centerline of the model increased from approximately 75 m/s with no trip to +/-225 m/s with a 0.53-mm trip, and to +/-240 m/s with a 1-mm trip, while holding the freestream Reynolds number constant. These measurements were performed in the 31-inch Mach 10 Air Tunnel at the NASA Langley Research Center.

Design of single-layer high-efficiency transmitting phase-gradient metasurface and high gain antenna

Science.gov (United States)

Zhang, Di; Yang, Xiaoqing; Su, Piqiang; Luo, Jiefang; Chen, Huijie; Yuan, Jianping; Li, Lixin

2017-12-01

In this paper, based on rotation phase-gradient principle, a single-layer, high-efficiency transmitting metasurface is designed and applied to high-gain antenna. In the case of circularly polarized incident wave, the PCR (polarization conversions ratio) of the metasurface element is greater than 90% in the band of 9.11-10.48 GHz. The transmitting wave emerges an anomalous refraction when left-handed circularly polarized wave are incident perpendicularly to the 1D phase-gradient metasurface, which is composed of cycle arrangement of 6 units with step value of 30°. The simulated anomalous refraction angle is 40.1°, coincided with the theoretical design value (40.6°). For further application, the 2D focused metasurface is designed to enhance the antenna performance while the left-handed circularly polarized antenna is placed at the focus. The simulated max gain is increased by 12 dB (182%) and the half-power beamwidth is reduced by 74.6°. The measured results are coincided with the simulations, which indicates the antenna has high directivity. The designed single-layer transmission metasurface has advantages of thin thickness (only 1.5 mm), high efficiency and light weight, and will have important application prospects in polarization conversion and beam control.

Realizing Broadband and Invertible Linear-to-circular Polarization Converter with Ultrathin Single-layer Metasurface

Science.gov (United States)

Li, Zhancheng; Liu, Wenwei; Cheng, Hua; Chen, Shuqi; Tian, Jianguo

2015-01-01

The arbitrary control of the polarization states of light has attracted the interest of the scientific community because of the wide range of modern optical applications that such control can afford. However, conventional polarization control setups are bulky and very often operate only within a narrow wavelength range, thereby resisting optical system miniaturization and integration. Here, we present the basic theory, simulated demonstration, and in-depth analysis of a high-performance broadband and invertible linear-to-circular (LTC) polarization converter composed of a single-layer gold nanorod array with a total thickness of ~λ/70 for the near-infrared regime. This setup can transform a circularly polarized wave into a linearly polarized one or a linearly polarized wave with a wavelength-dependent electric field polarization angle into a circularly polarized one in the transmission mode. The broadband and invertible LTC polarization conversion can be attributed to the tailoring of the light interference at the subwavelength scale via the induction of the anisotropic optical resonance mode. This ultrathin single-layer metasurface relaxes the high-precision requirements of the structure parameters in general metasurfaces while retaining the polarization conversion performance. Our findings open up intriguing possibilities towards the realization of novel integrated metasurface-based photonics devices for polarization manipulation, modulation, and phase retardation. PMID:26667360

Single-Step Electrophoretic Deposition of Non-noble Metal Catalyst Layer with Low Onset Voltage for Ethanol Electro-oxidation.

Science.gov (United States)

Ahmadi Daryakenari, Ahmad; Hosseini, Davood; Ho, Ya-Lun; Saito, Takumi; Apostoluk, Aleksandra; Müller, Christoph R; Delaunay, Jean-Jacques

2016-06-29

A single-step electrophoretic deposition (EPD) process is used to fabricate catalyst layers which consist of nickel oxide nanoparticles attached on the surface of nanographitic flakes. Magnesium ions present in the colloid charge positively the flake's surface as they attach on it and are also used to bind nanographitic flakes together. The fabricated catalyst layers showed a very low onset voltage (-0.2 V vs Ag/AgCl) in the electro-oxidation of ethanol. To clarify the occurring catalytic mechanism, we performed annealing treatment to produce samples having a different electrochemical behavior with a large onset voltage. Temperature dependence measurements of the layer conductivity pointed toward a charge transport mechanism based on hopping for the nonannealed layers, while the drift transport is observed in the annealed layers. The hopping charge transport is responsible for the appearance of the low onset voltage in ethanol electro-oxidation.

EDITORIAL: Molecular switches at surfaces Molecular switches at surfaces

Science.gov (United States)

Weinelt, Martin; von Oppen, Felix

2012-10-01

electron-vibration coupling in transport through single moleculesKatharina J Franke and Jose Ignacio Pascual Vibrational heating in single-molecule switches: an energy-dependent density-of-states approachT Brumme, R Gutierrez and G Cuniberti Reversible switching of single tin phthalocyanine molecules on the InAs(111)A surfaceC Nacci, K Kanisawa and S Fölsch Tuning the interaction between carbon nanotubes and dipole switches: the influence of the change of the nanotube-spiropyran distanceP Bluemmel, A Setaro, C Maity, S Hecht and S Reich Carbon nanotubes as substrates for molecular spiropyran-based switchesE Malic, A Setaro, P Bluemmel, Carlos F Sanz-Navarro, Pablo Ordejón, S Reich and A Knorr Ultrafast dynamics of dithienylethenes differently linked to the surface of TiO2 nanoparticlesLars Dworak, Marc Zastrow, Gehad Zeyat, Karola Rück-Braun and Josef Wachtveitl Switching the electronic properties of Co-octaethylporphyrin molecules on oxygen-covered Ni films by NO adsorptionC F Hermanns, M Bernien, A Krüger, J Miguel and W Kuch STM-switching of organic molecules on semiconductor surfaces: an above threshold density matrix model for 1,5 cyclooctadiene on Si(100)K Zenichowski, Ch Nacci, S Fölsch, J Dokić, T Klamroth and P Saalfrank A switch based on self-assembled thymineFatih Kalkan, Michael Mehlhorn and Karina Morgenstern The growth and electronic structure of azobenzene-based functional molecules on layered crystalsJ Iwicki, E Ludwig, J Buck, M Kalläne, F Köhler, R Herges, L Kipp and K Rossnagel Voltage-dependent conductance states of a single-molecule junctionY F Wang, N Néel, J Kröger, H Vázquez, M Brandbyge, B Wang and R Berndt Molecules with multiple switching units on a Au(111) surface: self-organization and single-molecule manipulationJohannes Mielke, Sofia Selvanathan, Maike Peters, Jutta Schwarz, Stefan Hecht and Leonhard Grill Preparing and regulating a bi-stable molecular switch by atomic manipulationS Sakulsermsuk, R E Palmer and P A Sloan Mixed self

A 19-Month Climatology of Marine Aerosol-Cloud-Radiation Properties Derived From DOE ARM AMF Deployment at the Azores: Part I: Cloud Fraction and Single-Layered MBL Cloud Properties

Science.gov (United States)

Dong, Xiquan; Xi, Baike; Kennedy, Aaron; Minnis, Patrick; Wood, Robert

2013-01-01

A 19-month record of total, and single-layered low (0-3 km), middle (3-6 km), and high (> 6 km) cloud fractions (CFs), and the single-layered marine boundary layer (MBL) cloud macrophysical and microphysical properties has been generated from ground-based measurements taken at the ARM Azores site between June 2009 and December 2010. It documents the most comprehensive and longest dataset on marine cloud fraction and MBL cloud properties to date. The annual means of total CF, and single-layered low, middle, and high CFs derived from ARM radar-lidar observations are 0.702, 0.271, 0.01 and 0.106, respectively. More total and single-layered high CFs occurred during winter, while single-layered low CFs were greatest during summer. The diurnal cycles for both total and low CFs are stronger during summer than during winter. The CFs are bimodally distributed in the vertical with a lower peak at approx. 1 km and higher one between 8 and 11 km during all seasons, except summer, when only the low peak occurs. The persistent high pressure and dry conditions produce more single-layered MBL clouds and fewer total clouds during summer, while the low pressure and moist air masses during winter generate more total and multilayered-clouds, and deep frontal clouds associated with midlatitude cyclones.

Low temperature p-type doping of (Al)GaN layers using ammonia molecular beam epitaxy for InGaN laser diodes

Energy Technology Data Exchange (ETDEWEB)

Malinverni, M., E-mail: marco.malinverni@epfl.ch; Lamy, J.-M.; Martin, D.; Grandjean, N. [ICMP, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Feltin, E.; Dorsaz, J. [NOVAGAN AG, CH-1015 Lausanne (Switzerland); Castiglia, A.; Rossetti, M.; Duelk, M.; Vélez, C. [EXALOS AG, CH-8952 Schlieren (Switzerland)

2014-12-15

We demonstrate state-of-the-art p-type (Al)GaN layers deposited at low temperature (740 °C) by ammonia molecular beam epitaxy (NH{sub 3}-MBE) to be used as top cladding of laser diodes (LDs) with the aim of further reducing the thermal budget on the InGaN quantum well active region. Typical p-type GaN resistivities and contact resistances are 0.4 Ω cm and 5 × 10{sup −4} Ω cm{sup 2}, respectively. As a test bed, we fabricated a hybrid laser structure emitting at 400 nm combining n-type AlGaN cladding and InGaN active region grown by metal-organic vapor phase epitaxy, with the p-doped waveguide and cladding layers grown by NH{sub 3}-MBE. Single-mode ridge-waveguide LD exhibits a threshold voltage as low as 4.3 V for an 800 × 2 μm{sup 2} ridge dimension and a threshold current density of ∼5 kA cm{sup −2} in continuous wave operation. The series resistance of the device is 6 Ω and the resistivity is 1.5 Ω cm, confirming thereby the excellent electrical properties of p-type Al{sub 0.06}Ga{sub 0.94}N:Mg despite the low growth temperature.

Self-reduction and size controlled synthesis of silver nanoparticles on carbon nanospheres by grafting triazine-based molecular layer for conductivity improvement

Science.gov (United States)

Sang, Jing; Aisawa, Sumio; Hirahara, Hidetoshi; Kudo, Takahiro; Mori, Kunio

2016-02-01

A facile, self-reduction and size controlled synthesis method has been explored to fabricate silver nanoparticles (Ag NPs) on carbon nanosphere (CNs) under mild conditions. Without using predeposition of seed metals and reducing agent, a uniform and complete layer of Ag NPs was formed through grafting a molecular layer on CNs surfaces under UV irradiation. The size and thickness of Ag NPs were effectively tuned by adjusting the UV irradiation time. This direct formation of Ag NPs was attributed to self seed in aqueous Ag(NH3)2+ complex solution through a triazine-based silane coupling agent molecular layer, even at 25 °C. Scanning electron microscopy (SEM), Transmission electron microscope (TEM), and X-ray photoelectron spectroscopy (XPS) were employed to characterize the Ag NPs' properties. A substantial conductivity improvement of prepared Ag NPs on carbon nanosphere was demonstrated. The presented method is simple and environmentally friendly and thus should be of significant value for the industrial fabrication of Ag NPs on carbon nanosphere in conduct electricity paint and coating applications.

Electrical Transport and Low-Frequency Noise in Chemical Vapor Deposited Single-Layer MoS2 Devices

Science.gov (United States)

2014-03-18

PERSON 19b. TELEPHONE NUMBER Pullickel Ajayan Deepak Sharma, Matin Amani, Abhishek Motayed, Pankaj B. Shah, A. Glen Birdwell, Sina Najmaei, Pulickel...in chemical vapor deposited single-layer MoS2 devices Deepak Sharma1,2, Matin Amani3, Abhishek Motayed2,4, Pankaj B Shah3, A Glen Birdwell3, Sina

Attractive mechanical properties of a lightweight highly sensitive bi layer thermistor: polycarbonate/organic molecular conductor

International Nuclear Information System (INIS)

Laukhina, E; Lebedev, V; Rovira, C; Laukhin, V; Veciana, J

2016-01-01

The paper covers some of the basic mechanical characteristics of a recently developed bi layer thermistor: polycarbonate/(001) oriented layer of organic molecular conductor α’-(BEDT-TTF) 2 I x Br 3-x , were BEDT-TTF=bis(ethylenedithio)tetrathiafulvalen. The nano and macro mechanical properties have been studied in order to use this flexible, low cost thermistor in sensing applications by proper way. The nano-mechanical properties of the temperature sensitive semiconducting layer of α’-(BEDT-TTF) 2 I x Br 3-x were tested using nanoindentation method. The value of Young's modulus in direction being perpendicular to the layer plan was found as 9.0 ±1.4 GPa. The macro mechanical properties of the thermistor were studied using a 5848 MicroTester. The tensile tests showed that basic mechanical characteristics of the thermistor are close to those of polycarbonate films. This indicates a good mechanical strength of the developed sensor. Therefore, the thermistor can be used in technologies that need to be instrumented with highly robustness lightweight low cost temperature sensors. The paper also reports synthetic details on fabricating temperature sensing e-textile. As the temperature control is becoming more and more important in biomedical technologies like healthcare monitoring, this work strongly contributes on the ongoing research on engineering sensitive conducting materials for biomedical applications. (paper)

Nature of the surface states at the single-layer graphene/Cu(111) and graphene/polycrystalline-Cu interfaces

NARCIS (Netherlands)

Pagliara, S.; Tognolini, S.; Bignardi, L.; Galimberti, G.; Achilli, S.; Trioni, M. I.; van Dorp, W. F.; Ocelik, V.; Rudolf, P.; Parmigiani, F.

2015-01-01

Single-layer graphene supported on a metal surface has shown remarkable properties relevant for novel electronic and optoelectronic devices. However, the nature of the electronic states derived from unoccupied surface states and quantum well states, lying in the real-space gap between the graphene

Localizing genes to cerebellar layers by classifying ISH images.

Directory of Open Access Journals (Sweden)

Lior Kirsch

Full Text Available Gene expression controls how the brain develops and functions. Understanding control processes in the brain is particularly hard since they involve numerous types of neurons and glia, and very little is known about which genes are expressed in which cells and brain layers. Here we describe an approach to detect genes whose expression is primarily localized to a specific brain layer and apply it to the mouse cerebellum. We learn typical spatial patterns of expression from a few markers that are known to be localized to specific layers, and use these patterns to predict localization for new genes. We analyze images of in-situ hybridization (ISH experiments, which we represent using histograms of local binary patterns (LBP and train image classifiers and gene classifiers for four layers of the cerebellum: the Purkinje, granular, molecular and white matter layer. On held-out data, the layer classifiers achieve accuracy above 94% (AUC by representing each image at multiple scales and by combining multiple image scores into a single gene-level decision. When applied to the full mouse genome, the classifiers predict specific layer localization for hundreds of new genes in the Purkinje and granular layers. Many genes localized to the Purkinje layer are likely to be expressed in astrocytes, and many others are involved in lipid metabolism, possibly due to the unusual size of Purkinje cells.

Single NdPc2 molecules on surfaces. Adsorption, interaction, and molecular magnetism

International Nuclear Information System (INIS)

Fahrendorf, Sarah

2013-01-01

-polarized 4f-states of the central Nd ion by means of STM and STS. This important and unique characteristic absent for late lanthanide double-decker phthalocyanine molecules opens the door for direct reading and writing of the molecular spin-state by purely electrical means. In view of the intended investigations of the magnetic properties of the NdPc2 molecule coupled to ferromagnetic surfaces, spin-polarized STM investigations of the second atomic layer of Fe on W(110) are performed. Here, bulk Cr-tips are used, which were ex-situ electrochemically etched from a Cr rod. Further in-situ treatment is shown to have no essential influence on the magnetic properties of the tips. The reproducible and reliable preparation of the ferromagnetic substrate and the Cr-tips is the basis for further investigations of the NdPc 2 molecule adsorbed on the second atomic layer of Fe on W(110). Preliminary STM and STS results give strong evidence, that the direct access to the spin-polarized 4f-states is also feasible after adsorption of the double-decker molecule on a ferromagnetic substrate.

Synthesis of Freestanding Single-crystal Perovskite Films and Heterostructures by Etching of Sacrificial Water-soluble Layers

Energy Technology Data Exchange (ETDEWEB)

Lu, Di; Baek, David J.; Hong, Seung Sae; Kourkoutis, Lena F.; Hikita, Yasuyuki; Hwang, Harold Y.

2016-08-22

The ability to create and manipulate materials in two-dimensional (2D) form has repeatedly had transformative impact on science and technology. In parallel with the exfoliation and stacking of intrinsically layered crystals, atomic-scale thin film growth of complex materials has enabled the creation of artificial 2D heterostructures with novel functionality and emergent phenomena, as seen in perovskite heterostructures. However, separation of these layers from the growth substrate has proven challenging, limiting the manipulation capabilities of these heterostructures with respect to exfoliated materials. Here we present a general method to create freestanding perovskite membranes. The key is the epitaxial growth of water-soluble Sr₃Al₂O₆ on perovskite substrates, followed by in situ growth of films and heterostructures. Millimetre-size single-crystalline membranes are produced by etching the Sr₃Al₂O₆ layer in water, providing the opportunity to transfer them to arbitrary substrates and integrate them with heterostructures of semiconductors and layered compounds.

Interaction of molecular oxygen with single wall nanotubes: Role of surfactant contamination

International Nuclear Information System (INIS)

Larciprete, R.; Goldoni, A.; Lizzit, S.

2003-01-01

The interaction of molecular oxygen with single wall nanotubes in the form of a commercial bucky paper was investigated by high resolution photoemission spectroscopy. Sodium contamination was found in the sample, which was completely removed only after prolonged heating at 1250 K. The C 1s core level spectrum measured on the sample annealed to 1020 K dramatically changed upon exposure to molecular oxygen. On the contrary, when exposing the Na-free SWNTs to several KL of O 2 , the sample remained oxygen free and no modification in the C 1s core level was observed. Therefore the observed sensitivity of the sample to O 2 was due to a Na mediated oxidation, determining a charge transfer from the C tubes to the Na-O complex

Junctionless Diode Enabled by Self-Bias Effect of Ion Gel in Single-Layer MoS2 Device.

Science.gov (United States)

Khan, Muhammad Atif; Rathi, Servin; Park, Jinwoo; Lim, Dongsuk; Lee, Yoontae; Yun, Sun Jin; Youn, Doo-Hyeb; Kim, Gil-Ho

2017-08-16

The self-biasing effects of ion gel from source and drain electrodes on electrical characteristics of single layer and few layer molybdenum disulfide (MoS 2 ) field-effect transistor (FET) have been studied. The self-biasing effect of ion gel is tested for two different configurations, covered and open, where ion gel is in contact with either one or both, source and drain electrodes, respectively. In open configuration, the linear output characteristics of the pristine device becomes nonlinear and on-off ratio drops by 3 orders of magnitude due to the increase in "off" current for both single and few layer MoS 2 FETs. However, the covered configuration results in a highly asymmetric output characteristics with a rectification of around 10 3 and an ideality factor of 1.9. This diode like behavior has been attributed to the reduction of Schottky barrier width by the electric field of self-biased ion gel, which enables an efficient injection of electrons by tunneling at metal-MoS 2 interface. Finally, finite element method based simulations are carried out and the simulated results matches well in principle with the experimental analysis. These self-biased diodes can perform a crucial role in the development of high-frequency optoelectronic and valleytronic devices.

Single amino acid substitution in important hemoglobinopathies does not disturb molecular function and biological process

Directory of Open Access Journals (Sweden)

Viroj Wiwanitkit

2008-06-01

Full Text Available Viroj WiwanitkitDepartment of Laboratory Medicine, Faculty of Medicine, Chulalongkorn University, Bangkok, ThailandAbstract: Hemoglobin is an important protein found in the red cells of many animals. In humans, the hemoglobin is mainly distributed in the red blood cell. Single amino acid substitution is the main pathogenesis of most hemoglobin disorders. Here, the author used a new gene ontology technology to predict the molecular function and biological process of four important hemoglobin disorders with single substitution. The four studied important abnormal hemoglobins (Hb with single substitution included Hb S, Hb E, Hb C, and Hb J-Baltimore. Using the GoFigure server, the molecular function and biological process in normal and abnormal hemoglobins was predicted. Compared with normal hemoglobin, all studied abnormal hemoglobins had the same function and biological process. This indicated that the overall function of oxygen transportation is not disturbed in the studied hemoglobin disorders. Clinical findings of oxygen depletion in abnormal hemoglobin should therefore be due to the other processes rather than genomics, proteomics, and expression levels.Keywords: hemoglobin, amino acid, substitution, function

Spatially extended and high-velocity dispersion molecular component in spiral galaxies: Single-dish versus interferometric observations

International Nuclear Information System (INIS)

Caldú-Primo, Anahi; Walter, Fabian; Schruba, Andreas; Leroy, Adam; Bolatto, Alberto D.; Vogel, Stuart

2015-01-01

Recent studies of the molecular medium in nearby galaxies have provided mounting evidence that the molecular gas can exist in two phases: one that is clumpy and organized as molecular clouds and another one that is more diffuse. This last component has a higher velocity dispersion than the clumpy one. In order to investigate these two molecular components further, we compare the fluxes and line widths of CO in NGC 4736 and NGC 5055, two nearby spiral galaxies for which high-quality interferometric as well as single-dish data sets are available. Our analysis leads to two main results: (1) employing three different methods, we determine the flux recovery of the interferometer as compared to the single-dish to be within a range of 35%–74% for NGC 4736 and 81%–92% for NGC 5055, and (2) when focusing on high (S/N ≥ 5) lines of sight (LOSs), the single-dish line widths are larger by ∼(40 ± 20)% than the ones derived from interferometric data, which is in agreement with stacking all LOSs. These results point to a molecular gas component that is distributed over spatial scales larger than 30″(∼1 kpc), and is therefore filtered out by the interferometer. The available observations do not allow us to distinguish between a truly diffuse gas morphology and a uniform distribution of small clouds that are separated by less than the synthesized beam size (∼3″ or ∼100 pc), as they would both be invisible for the interferometer. This high velocity dispersion component has a dispersion similar to what is found in the atomic medium, as traced through observations of the H i line.

A Comprehensive Experiment for Molecular Biology: Determination of Single Nucleotide Polymorphism in Human REV3 Gene Using PCR-RFLP

Science.gov (United States)

Zhang, Xu; Shao, Meng; Gao, Lu; Zhao, Yuanyuan; Sun, Zixuan; Zhou, Liping; Yan, Yongmin; Shao, Qixiang; Xu, Wenrong; Qian, Hui

2017-01-01

Laboratory exercise is helpful for medical students to understand the basic principles of molecular biology and to learn about the practical applications of molecular biology. We have designed a lab course on molecular biology about the determination of single nucleotide polymorphism (SNP) in human REV3 gene, the product of which is a subunit of…

Adhesion and migration of CHO cells on micropatterned single layer graphene

Science.gov (United States)

Keshavan, S.; Oropesa-Nuñez, R.; Diaspro, A.; Canale, C.; Dante, S.

2017-06-01

Cell patterning technology on single layer graphene (SLG) is a fairly new field that can find applications in tissue engineering and biomaterial/biosensors development. Recently, we have developed a simple and effective approach for the fabrication of patterned SLG substrates by laser micromachining, and we have successfully applied it for the obtainment of geometrically ordered neural networks. Here, we exploit the same approach to investigate the generalization of the cell response to the surface cues of the fabricated substrates and, contextually, to quantify cell adhesion on the different areas of the patterns. To attain this goal, we tested Chinese hamster ovary (CHO) cells on PDL-coated micropatterned SLG substrates and quantified the adhesion by using single cell force spectroscopy (SCFS). Our results indicate higher cell adhesion on PDL-SLG, and, consequently, an initial CHO cell accumulation on the graphene areas, confirming the neuronal behaviour observed previously; interestingly, at later time point in culture, cell migration was observed towards the adjacent SLG ablated regions, which resulted more favourable for cell proliferation. Therefore, our findings indicate that the mechanism of interaction with the surface cues offered by the micropatterned substrates is strictly cell-type dependent.

Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

Science.gov (United States)

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

2017-11-01

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

Vascular Displacement in Idiopathic Macular Hole after Single-layered Inverted Internal Limiting Membrane Flap Surgery.

Science.gov (United States)

Lee, Jae Jung; Lee, In Ho; Park, Keun Heung; Pak, Kang Yeun; Park, Sung Who; Byon, Ik Soo; Lee, Ji Eun

2017-08-01

To compare vascular displacement in the macula after surgical closure of idiopathic macular hole (MH) after single-layered inverted internal limiting membrane (ILM) flap technique and conventional ILM removal. This retrospective study included patients who underwent either vitrectomy and ILM removal only or vitrectomy with single-layered inverted ILM flap for idiopathic MH larger than 400 μm from 2012 to 2015. A customized program compared the positions of the retinal vessels in the macula between preoperative and postoperative photographs. En face images of 6 × 6 mm optical coherence tomography volume scans were registered to calculate the scale. Retinal vessel displacement was measured as a vector value by comparing its location in 16 sectors of a grid partitioned into eight sectors in two rings (inner, 2 to 4 mm; outer, 4 to 6 mm). The distance and angle of displacement were calculated as an average vector and were compared between the two groups for whole sectors, inner ring, outer ring, and for each sector. Twenty patients were included in the ILM flap group and 22 in the ILM removal group. There were no statistical differences between the groups for baseline characteristics. The average displacement in the ILM flap group and the ILM removal group was 56.6 μm at -3.4° and 64.9 μm at -2.7°, respectively, for the whole sectors (p = 0.900), 76.1 μm at -1.1° and 87.3 μm at -0.9° for the inner ring (p = 0.980), and 37.4 μm at -8.2° and 42.7 μm at -6.3° for the outer ring (p = 0.314). There was no statistical difference in the displacement of each of the sectors. Postoperative topographic changes showed no significant differences between the ILM flap and the ILM removal group for idiopathic MH. The single-layered ILM flap technique did not appear to cause additional displacement of the retinal vessels in the macula. © 2017 The Korean Ophthalmological Society

Preparation and applications of mechanically exfoliated single-layer and multilayer MoS₂ and WSe₂ nanosheets.

Science.gov (United States)

Li, Hai; Wu, Jumiati; Yin, Zongyou; Zhang, Hua

2014-04-15

Although great progress has been achieved in the study of graphene, the small current ON/OFF ratio in graphene-based field-effect transistors (FETs) limits its application in the fields of conventional transistors or logic circuits for low-power electronic switching. Recently, layered transition metal dichalcogenide (TMD) materials, especially MoS2, have attracted increasing attention. In contrast to its bulk material with an indirect band gap, a single-layer (1L) MoS2 nanosheet is a semiconductor with a direct band gap of ~1.8 eV, which makes it a promising candidate for optoelectronic applications due to the enhancement of photoluminescence and high current ON/OFF ratio. Compared with TMD nanosheets prepared by chemical vapor deposition and liquid exfoliation, mechanically exfoliated ones possess pristine, clean, and high-quality structures, which are suitable for the fundamental study and potential applications based on their intrinsic thickness-dependent properties. In this Account, we summarize our recent research on the preparation, characterization, and applications of 1L and multilayer MoS2 and WSe2 nanosheets produced by mechanical exfoliation. During the preparation of nanosheets, we proposed a simple optical identification method to distinguish 1L and multilayer MoS2 and WSe2 nanosheets on a Si substrate coated with 90 and 300 nm SiO2. In addition, we used Raman spectroscopy to characterize mechanically exfoliated 1L and multilayer WSe2 nanosheets. For the first time, a new Raman peak at 308 cm(-1) was observed in the spectra of WSe2 nanosheets except for the 1L WSe2 nanosheet. Importantly, we found that the 1L WSe2 nanosheet is very sensitive to the laser power during characterization. The high power laser-induced local oxidation of WSe2 nanosheets and single crystals was monitored by Raman spectroscopy and atomic force microscopy (AFM). Hexagonal and monoclinic structured WO3 thin films were obtained from the local oxidization of single- to triple-layer

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.

Alkali (Li, K and Na) and alkali-earth (Be, Ca and Mg) adatoms on SiC single layer

Science.gov (United States)

Baierle, Rogério J.; Rupp, Caroline J.; Anversa, Jonas

2018-03-01

First-principles calculations within the density functional theory (DFT) have been addressed to study the energetic stability, and electronic properties of alkali and alkali-earth atoms adsorbed on a silicon carbide (SiC) single layer. We observe that all atoms are most stable (higher binding energy) on the top of a Si atom, which moves out of the plane (in the opposite direction to the adsorbed atom). Alkali atoms adsorbed give raise to two spin unpaired electronic levels inside the band gap leading the SiC single layer to exhibit n-type semiconductor properties. For alkaline atoms adsorbed there is a deep occupied spin paired electronic level inside the band gap. These finding suggest that the adsorption of alkaline and alkali-earth atoms on SiC layer is a powerful feature to functionalize two dimensional SiC structures, which can be used to produce new electronic, magnetic and optical devices as well for hydrogen and oxygen evolution reaction (HER and OER, respectively). Furthermore, we observe that the adsorption of H2 is ruled by dispersive forces (van der Waals interactions) while the O2 molecule is strongly adsorbed on the functionalized system.

Nanofluidics in two-dimensional layered materials: inspirations from nature.

Science.gov (United States)

Gao, Jun; Feng, Yaping; Guo, Wei; Jiang, Lei

2017-08-29

With the advance of chemistry, materials science, and nanotechnology, significant progress has been achieved in the design and application of synthetic nanofluidic devices and materials, mimicking the gating, rectifying, and adaptive functions of biological ion channels. Fundamental physics and chemistry behind these novel transport phenomena on the nanoscale have been explored in depth on single-pore platforms. However, toward real-world applications, one major challenge is to extrapolate these single-pore devices into macroscopic materials. Recently, inspired partially by the layered microstructure of nacre, the material design and large-scale integration of artificial nanofluidic devices have stepped into a completely new stage, termed 2D nanofluidics. Unique advantages of the 2D layered materials have been found, such as facile and scalable fabrication, high flux, efficient chemical modification, tunable channel size, etc. These features enable wide applications in, for example, biomimetic ion transport manipulation, molecular sieving, water treatment, and nanofluidic energy conversion and storage. This review highlights the recent progress, current challenges, and future perspectives in this emerging research field of "2D nanofluidics", with emphasis on the thought of bio-inspiration.

New Layered Materials and Functional Nanoelectronic Devices

Science.gov (United States)

Yu, Jaeeun

This thesis introduces functional nanomaterials including superatoms and carbon nanotubes (CNTs) for new layered solids and molecular devices. Chapters 1-3 present how we incorporate superatoms into two-dimensional (2D) materials. Chapter 1 describes a new and simple approach to dope transition metal dichalcogenides (TMDCs) using the superatom Co6Se8(PEt3)6 as the electron dopant. Doping is an effective method to modulate the electrical properties of materials, and we demonstrate an electron-rich cluster can be used as a tunable and controllable surface dopant for semiconducting TMDCs via charge transfer. As a demonstration of the concept, we make a p-n junction by patterning on specific areas of TMDC films. Chapter 2 and Chapter 3 introduce new 2D materials by molecular design of superatoms. Traditional atomic van der Waals materials such as graphene, hexagonal boron-nitride, and TMDCs have received widespread attention due to the wealth of unusual physical and chemical behaviors that arise when charges, spins, and vibrations are confined to a plane. Though not as widespread as their atomic counterparts, molecule-based layered solids offer significant benefits; their structural flexibility will enable the development of materials with tunable properties. Chapter 2 describes a layered van der Waals solid self-assembled from a structure-directing building block and C60 fullerene. The resulting crystalline solid contains a corrugated monolayer of neutral fullerenes and can be mechanically exfoliated. Chapter 3 describes a new method to functionalize electroactive superatoms with groups that can direct their assembly into covalent and non-covalent multi-dimensional frameworks. We synthesized Co6Se8[PEt2(4-C6H4COOH)]6 and found that it forms two types of crystalline assemblies with Zn(NO3)2, one is a three-dimensional solid and the other consists of stacked layers of two-dimensional sheets. The dimensionality is controlled by subtle changes in reaction conditions. CNT

Thermally oxidized aluminum as catalyst-support layer for vertically aligned single-walled carbon nanotube growth using ethanol

Energy Technology Data Exchange (ETDEWEB)

Azam, Mohd Asyadi, E-mail: asyadi@jaist.ac.jp [School of Materials Science, Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan); Fujiwara, Akihiko [Research and Utilization Division, Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1, Kouto, Sayo-cho, Sayo, Hyogo 679-5198 (Japan); Shimoda, Tatsuya [School of Materials Science, Japan Advanced Institute of Science and Technology (JAIST), 1-1 Asahidai, Nomi, Ishikawa 923-1292 (Japan)

2011-11-01

Characteristics and role of Al oxide (Al-O) films used as catalyst-support layer for vertical growth of single-walled carbon nanotubes (SWCNTs) were studied. EB-deposited Al films (20 nm) were thermally oxidized at 400 deg. C (10 min, static air) to produce the most appropriate surface structure of Al-O. Al-O catalyst-support layers were characterized using various analytical measurements, i.e., atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and spectroscopy ellipsometry (SE). The thermally oxidized Al-O has a highly roughened surface, and also has the most suitable surface chemical states compared to other type of Al-O support layers. We suggest that the surface of thermally oxidized Al-O characterized in this work enhanced Co catalyst activity to promote the vertically aligned SWCNT growth.

Single-layer graphene-TiO{sub 2} nanotubes array heterojunction for ultraviolet photodetector application

Energy Technology Data Exchange (ETDEWEB)

Zhang, Deng-Yue [School of Material Sciences and Engineering, Hefei University of Technology, Hefei, Anhui 230009 (China); Ge, Cai-Wang [School of Electronic Science and Applied Physics, Hefei University of Technology, Hefei, Anhui 230009 (China); Wang, Jiu-Zhen [School of Material Sciences and Engineering, Hefei University of Technology, Hefei, Anhui 230009 (China); Zhang, Teng-Fei [School of Electronic Science and Applied Physics, Hefei University of Technology, Hefei, Anhui 230009 (China); Wu, Yu-Cheng, E-mail: ycwu@hfut.edu.cn [School of Material Sciences and Engineering, Hefei University of Technology, Hefei, Anhui 230009 (China); Liang, Feng-Xia, E-mail: fxliang@hfut.edu.cn [School of Material Sciences and Engineering, Hefei University of Technology, Hefei, Anhui 230009 (China)

2016-11-30

Highlights: • Heterostructures comprised of a single-layer graphene and TiO{sub 2} nanotube arrays were constructed for ultraviolet detection. • The electrical properties of the fabricated heterostructures were dependent on the annealing atmospheres. • The effect of anodic TiO{sub 2} nanotube length on the performance of the photodetector were investigated. - Abstract: In this work, we reported on the fabrication of a single-layer graphene (SLG)-TiO{sub 2} nanotube arrays (NTs) heterostructures ultraviolet photodetector (UVPD) by transferring chemical vapor deposition derived MLG on the surface of anodic TiO{sub 2}NTs array. Through varying the annealing atmosphere and anodization time in the TiO{sub 2} synthesis procedure, the electronic and optoelectronic properties of the as-fabricated Schottky junction UVPD were studied. It was revealed that the anodic TiO{sub 2}NTs annealed in air showed a better rectifying behavior and was highly sensitive to UV light irradiation. Further investigation found that the device performance of the UVPD can be readily modulated by the anodization time, and the anodic TiO{sub 2}NTs with a medium tube length of 9.6 μm exhibits the highest device performance. These results demonstrated that the present SLG-TiO{sub 2}NTs array hetero-junction UVPD will be highly promising for fabricating high-performance optoelectronic device and system in the future.

Antiferroelectric surface layers in a liquid crystal as observed by synchrotron x-ray scattering

DEFF Research Database (Denmark)

Gramsbergen, E. F.; de Jeu, W. H.; Als-Nielsen, Jens Aage

1986-01-01

The X-ray reflectivity form the surface of a liquid crystal with terminally polar (cyano substituted) molecules has been studied using a high-resolution triple-axis X-ray spectrometer in combination with a synchrotron source. It is demonstrated that at the surface of the smectic Al phase a few...... antiferroelectric double layers develop that can be distinguished from the bulk single layer structure. A model is developed that separates the electron density in a contribution from the molecular form factor, and from the structure factor of the mono- and the bilayers, respectively. It shows that (i) the first...

Growth and electronic structure of single-layered transition metal dichalcogenides

DEFF Research Database (Denmark)

Dendzik, Maciej

2016-01-01

only a weak interaction between SL MoS2 and graphene, which leads to a quasi-freestanding band structure, but also to the coexistence of multiple rotational domains. Measurements of SL WS2 on Ag(111), on the other hand, reveals formation of interesting in-gap states which make WS2 metallic. Low...... different from graphene’s. For example, semiconducting TMDCs undergo an indirectdirect band gap transition when thinned to a single layer (SL); this results in greatly enhanced photoluminescence, making those materials attractive for applications in optoelectronics. Furthermore, metallic TMDCs can host......-quality SL TMDCs. We demonstrate the synthesis of SL MoS2, WS2 and TaS2 on Au(111), Ag(111) and graphene on SiC. The morphology and crystal structure of the synthesized materials is characterized by scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). The electronic structure of SL...

Thin film complementary metal oxide semiconductor (CMOS) device using a single-step deposition of the channel layer

KAUST Repository

Nayak, Pradipta K.

2014-04-14

We report, for the first time, the use of a single step deposition of semiconductor channel layer to simultaneously achieve both n-and p-type transport in transparent oxide thin film transistors (TFTs). This effect is achieved by controlling the concentration of hydroxyl groups (OH-groups) in the underlying gate dielectrics. The semiconducting tin oxide layer was deposited at room temperature, and the maximum device fabrication temperature was 350C. Both n and p-type TFTs showed fairly comparable performance. A functional CMOS inverter was fabricated using this novel scheme, indicating the potential use of our approach for various practical applications.

Redox responsive nanotubes from organometallic polymers by template assisted layer by layer fabrication

NARCIS (Netherlands)

Song, Jing; Janczewski, D.J.; Guo, Y.Y.; Guo, Yuanyuan; Xu, Jianwei; Vancso, Gyula J.

2013-01-01

Redox responsive nanotubes were fabricated by the template assisted layer-by-layer (LbL) assembly method and employed as platforms for molecular payload release. Positively and negatively charged organometallic poly(ferrocenylsilane)s (PFS) were used to construct the nanotubes, in combination with

Effect of physicochemical factors on the microplasticity of the surface layer of molybdenum single crystals

Energy Technology Data Exchange (ETDEWEB)

Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

1984-07-01

The microplastic properties of the surface layer of molybdenum single crystals produced by electron-beam zone melting have been investigated experimentaly using ultramicrosclerometry and microindentation techniques. It is found that the 111 plane has the highest susceptibility to plastic damage, while the 100 plane is the hardest. An analysis of the stressed state of the material under an indenter shows that the dislocation density along the loading paths, which characterizes the microplasticity of the material, is largely determined by the crystallography of the lattice, i.e., by the arrangement and the number of effective slip systems in specimens of different orientations. The effect of a monolayer octadecylamine film on the microplastic behavior of molybdenum single crystals is discussed.

Characterization and use of crystalline bacterial cell surface layers

Science.gov (United States)

Sleytr, Uwe B.; Sára, Margit; Pum, Dietmar; Schuster, Bernhard

2001-10-01

Crystalline bacterial cell surface layers (S-layers) are one of the most common outermost cell envelope components of prokaryotic organisms (archaea and bacteria). S-layers are monomolecular arrays composed of a single protein or glycoprotein species and represent the simplest biological membranes developed during evolution. S-layers as the most abundant of prokaryotic cellular proteins are appealing model systems for studying the structure, synthesis, genetics, assembly and function of proteinaceous supramolecular structures. The wealth of information existing on the general principle of S-layers have revealed a broad application potential. The most relevant features exploited in applied S-layer research are: (i) pores passing through S-layers show identical size and morphology and are in the range of ultrafiltration membranes; (ii) functional groups on the surface and in the pores are aligned in well-defined positions and orientations and accessible for chemical modifications and binding functional molecules in very precise fashion; (iii) isolated S-layer subunits from a variety of organisms are capable of recrystallizing as closed monolayers onto solid supports (e.g., metals, polymers, silicon wafers) at the air-water interface, on lipid films or onto the surface of liposomes; (iv) functional domains can be incorporated in S-layer proteins by genetic engineering. Thus, S-layer technologies particularly provide new approaches for biotechnology, biomimetics, molecular nanotechnology, nanopatterning of surfaces and formation of ordered arrays of metal clusters or nanoparticles as required for nanoelectronics.

Potentials of single-cell biology in identification and validation of disease biomarkers.

Science.gov (United States)

Niu, Furong; Wang, Diane C; Lu, Jiapei; Wu, Wei; Wang, Xiangdong

2016-09-01

Single-cell biology is considered a new approach to identify and validate disease-specific biomarkers. However, the concern raised by clinicians is how to apply single-cell measurements for clinical practice, translate the message of single-cell systems biology into clinical phenotype or explain alterations of single-cell gene sequencing and function in patient response to therapies. This study is to address the importance and necessity of single-cell gene sequencing in the identification and development of disease-specific biomarkers, the definition and significance of single-cell biology and single-cell systems biology in the understanding of single-cell full picture, the development and establishment of whole-cell models in the validation of targeted biological function and the figure and meaning of single-molecule imaging in single cell to trace intra-single-cell molecule expression, signal, interaction and location. We headline the important role of single-cell biology in the discovery and development of disease-specific biomarkers with a special emphasis on understanding single-cell biological functions, e.g. mechanical phenotypes, single-cell biology, heterogeneity and organization of genome function. We have reason to believe that such multi-dimensional, multi-layer, multi-crossing and stereoscopic single-cell biology definitely benefits the discovery and development of disease-specific biomarkers. © 2016 The Authors. Journal of Cellular and Molecular Medicine published by John Wiley & Sons Ltd and Foundation for Cellular and Molecular Medicine.

Conceptual Design of a Single-Aisle Turboelectric Commercial Transport With Fuselage Boundary Layer Ingestion

Science.gov (United States)

Welstead, Jason R.; Felder, James L.

2016-01-01

A single-aisle commercial transport concept with a turboelectric propulsion system architecture was developed assuming entry into service in 2035 and compared to a similar technology conventional configuration. The turboelectric architecture consisted of two underwing turbofans with generators extracting power from the fan shaft and sending it to a rear fuselage, axisymmetric, boundary layer ingesting fan. Results indicate that the turbo- electric concept has an economic mission fuel burn reduction of 7%, and a design mission fuel burn reduction of 12% compared to the conventional configuration. An exploration of the design space was performed to better understand how the turboelectric architecture changes the design space, and system sensitivities were run to determine the sensitivity of thrust specific fuel consumption at top of climb and propulsion system weight to the motor power, fan pressure ratio, and electrical transmission efficiency of the aft boundary layer ingesting fan.

A single α-cobalt hydroxide/sodium alginate bilayer layer-by-layer assembly for conferring flame retardancy to flexible polyurethane foams

Energy Technology Data Exchange (ETDEWEB)

Mu, Xiaowei [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Yuan, Bihe [School of Resources and Environmental Engineering, Wuhan University of Technology, Wuhan 430070 (China); Pan, Ying; Feng, Xiaming; Duan, Lijin [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Zong, Ruowen, E-mail: zongrw@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Hu, Yuan, E-mail: yuanhu@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026 (China)

2017-04-15

A layer-by-layer (LBL) assembly coating composed of α-cobalt hydroxide (α-Co(OH){sub 2}) and sodium alginate (SA) is deposited on flexible polyurethane (FPU) foam to reduce its flammability. Scanning electron microscopy (SEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) are employed to prove the LBL assembly process. It is obvious from SEM results that a uniform and rough coating is deposited on FPU foam compared with that of untreated one. The peak intensity of methylene of SA in FITR spectra and typical (003) diffraction peak of α-Co(OH){sub 2} nanosheets at 11.0° in XRD patterns increases gradually with increment of bilayer number. Combustion behavior and toxicity suppression property of samples are characterized by cone calorimeter (under an irradiance of 35 kW m{sup −2}) and Thermogravimetry/Fourier transform infrared spectroscopy. The one and two bilayers (BL) coating on FPU foam can achieve excellent flame retardancy. Compared with untreated sample, the peak heat release rate of the coated FPU foam containing only one BL coating is reduced by 58.7%. The content of gaseous toxic substances during pyrolysis of FPU foam deposited with a single bilayer coating, such as CO and NCO-containing compounds, are reduced by 20.0% and 9.2%, respectively. Besides, the flame retardant mechanism of the coated FPU foam is also revealed. - Highlights: • The α-Co(OH){sub 2} nanosheets are firstly employed in LBL assembly. • A single α-cobalt hydroxide/sodium alginate bilayer LBL assembly for conferring excellent flame retardancy to FPU foam. • The flame retardant mechanism of LBL assembly FPU foam is displayed.

Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

International Nuclear Information System (INIS)

Martin, F.; Riera, A.; Yaez, M.

1986-01-01

In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s 2 ) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail

Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

Energy Technology Data Exchange (ETDEWEB)

Martin, F.; Riera, A.; Yaez, M.

1986-12-01

In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s/sup 2/) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail.

Pumping $ac$ Josephson current in the Single Molecular Magnets by spin nutation

OpenAIRE

Abdollahipour, B.; Abouie, J.; Rostami, A. A.

2012-01-01

We demonstrate that an {\\it ac} Josephson current is pumped through the Single Molecular Magnets (SMM) by the spin nutation. The spin nutation is generated by applying a time dependent magnetic field to the SMM. We obtain the flowing charge current through the junction by working in the tunneling limit and employing Green's function technique. At the resonance conditions some discontinuities and divergencies are appeared in the normal and Josephson currents, respectively. Such discontinuities...

Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations

Energy Technology Data Exchange (ETDEWEB)

He, Yang [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Chen, Changfeng, E-mail: chen_c_f@163.com [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Yu, Haobo [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Lu, Guiwu [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China)

2017-01-15

Highlights: • The structures of water compact layer on Pt(111) at different temperature were calculated. • The feature of chemical bond between water molecules and Pt (111) surface was discussed with temperature increased. • Temperature dependence of electrical strengths and capacitances of compact layer on Pt (111) surface was calculated. - Abstract: Formation of the double-layer electric field and capacitance of the water-metal interface is of significant interest in physicochemical processes. In this study, we perform first- principles molecular dynamics simulations on the water/Pt(111) interface to investigate the temperature dependence of the compact layer electric field and capacitance based on the calculated charge densities. On the Pt (111) surface, water molecules form ice-like structures that exhibit more disorder along the height direction with increasing temperature. The O−H bonds of more water molecules point toward the Pt surface to form Pt−H covalent bonds with increasing temperature, which weaken the corresponding O−H bonds. In addition, our calculated capacitance at 300 K is 15.2 mF/cm{sup 2}, which is in good agreement with the experimental results. As the temperature increases from 10 to 450 K, the field strength and capacitance of the compact layer on Pt (111) first increase and then decrease slightly, which is significant for understanding the water/Pt interface from atomic level.

Cu-O network dependence of optical charge-transfer gaps and spin-pair excitations in single-CuO2-layer compounds

International Nuclear Information System (INIS)

Tokura, Y.; Koshihara, S.; Arima, T.; Takagi, H.; Ishibashi, S.; Ido, T.; Uchida, S.

1990-01-01

Spectra of optical conductivity and magnon Raman scattering have been investigated in single crystals of a parent family of cuprate superconductors with various types of Cu-O single-layer networks. The analysis of the spectra shows the systematic dependence of the charge-transfer gaps and covalent character of Cu-O bonds on the pattern of the Cu-O network, while the spin-exchange energy is rather convergent for all the single-CuO 2 -sheet compounds

Negative quantum capacitance induced by midgap states in single-layer graphene.

Science.gov (United States)

Wang, Lin; Wang, Yang; Chen, Xiaolong; Zhu, Wei; Zhu, Chao; Wu, Zefei; Han, Yu; Zhang, Mingwei; Li, Wei; He, Yuheng; Xiong, Wei; Law, Kam Tuen; Su, Dangsheng; Wang, Ning

2013-01-01

We demonstrate that single-layer graphene (SLG) decorated with a high density of Ag adatoms displays the unconventional phenomenon of negative quantum capacitance. The Ag adatoms act as resonant impurities and form nearly dispersionless resonant impurity bands near the charge neutrality point (CNP). Resonant impurities quench the kinetic energy and drive the electrons to the Coulomb energy dominated regime with negative compressibility. In the absence of a magnetic field, negative quantum capacitance is observed near the CNP. In the quantum Hall regime, negative quantum capacitance behavior at several Landau level positions is displayed, which is associated with the quenching of kinetic energy by the formation of Landau levels. The negative quantum capacitance effect near the CNP is further enhanced in the presence of Landau levels due to the magnetic-field-enhanced Coulomb interactions.