Atomic Scale Design, Structure and Stability of Quantum Nanowires Located on Epitaxial Interfaces and Free‐Standing in Space

2019 ◽  
Vol 216 (13) ◽  
pp. 1800864
Author(s):  
Michail Michailov
Keyword(s):  
Atomic Scale ◽  
Free Standing ◽  
Structure And Stability ◽  
Design Structure ◽  
Scale Design

scholarly journals Atomic-Scale Design of Iron Fischer-Tropsch Catalysts: A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach

2006 ◽  
Author(s):  
Manos Mavrikakis ◽  
James A. Dumesic ◽  
Amit A. Gokhale ◽  
Rahul P. Nabar ◽  
Calvin H. Bartholomew ◽  
...  
Keyword(s):  
Computational Chemistry ◽  
Atomic Scale ◽  
Microkinetic Modeling ◽  
Fischer Tropsch ◽  
Modeling Approach ◽  
Scale Design

Electron Mobility due to Surface Roughness Scattering in Depleted GaAs Free-Standing Thin Ribbon

2019 ◽  
Vol 954 ◽  
pp. 51-59
Author(s):  
Xi Duo Hu ◽  
Cheng Ming Li ◽  
Shao Yan Yang
Keyword(s):  
Surface Roughness ◽  
Quantum Well ◽  
Electron Mobility ◽  
Atomic Scale ◽  
Free Standing ◽  
Poisson Equations ◽  
Surface Roughness Scattering ◽  
Calculation Results ◽  
Roughness Amplitude ◽  
Dimensional Electron Gas

Abstract:Electron mobility limited by surface roughness scattering in free-standing GaAs thin ribbon with an internal parabolic quantum well caused by surface state is investigated in detail. Based on analyzing the parabolic quantum well including the energy subband level, wave function and the confined potential profile in the thin ribbon by solving Schrödinger and Poisson equations self-consistently, the electron mobility could be investigated. Conclusion indicates that remote surface roughness (RSR) of the thin ribbon will change the two dimensional electron gas (2DEG) mobility through the medium of barrier height fluctuation of the parabolic well in atomic scale. Calculation results reveal that the 2DEG mobility decreases with increasing roughness amplitude, which is characterized in terms of the surface roughness height and the roughness lateral size.

Towards atomic-scale design: A theoretical investigation of magnetic nanoparticles and ultrathin films

2008 ◽  
Vol 39 (2) ◽  
pp. 184-189
Author(s):  
S. Dennler ◽  
M.C. Fromen ◽  
M.J. Casanove ◽  
G.M. Pastor ◽  
J. Morillo ◽  
...  
Keyword(s):  
Magnetic Nanoparticles ◽  
Theoretical Investigation ◽  
Ultrathin Films ◽  
Atomic Scale ◽  
Scale Design

Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn–Teller Ions

2013 ◽  
Vol 25 (22) ◽  
pp. 4545-4550 ◽  
Author(s):  
Joshua Young ◽  
James M. Rondinelli
Keyword(s):  
Perovskite Oxides ◽  
Second Order ◽  
Atomic Scale ◽  
Jahn Teller ◽  
Scale Design

scholarly journals Atomic-scale design of radiation-tolerant nanocomposites

MRS Bulletin ◽  
2010 ◽  
Vol 35 (12) ◽  
pp. 992-998 ◽  
Author(s):  
M. J. Demkowicz ◽  
P. Bellon ◽  
B. D. Wirth
Keyword(s):  
Energy Demand ◽  
Oxide Dispersion Strengthened ◽  
Clean Energy ◽  
Extreme Environment ◽  
Atomic Scale ◽  
Nanostructured Composite ◽  
Improved Performance ◽  
Defect Interactions ◽  
Scale Design ◽  
Radiation Tolerant

Recent work indicates that materials with nanoscale architectures, such as nanolayered Cu-Nb composites and nanoscale oxide dispersion-strengthened steels, are both thermally stable and offer improved performance under irradiation. Current understanding of the atomic-level response of such materials to radiation yields insights into how controlling composition, morphology, and interface-defect interactions may further enable atomic-scale design of radiation-tolerant nanostructured composite materials. With greater understanding of irradiation-assisted degradation mechanisms, this bottom-up design approach may pave the way for creating the extreme environment—tolerant structural materials needed to meet the world's clean energy demand by expanding use of advanced fission and future fusion power.

scholarly journals Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

2019 ◽  
Vol 58 (22) ◽  
pp. 14939-14980 ◽  
Author(s):  
Florian Belviso ◽  
Victor E. P. Claerbout ◽  
Aleix Comas-Vives ◽  
Naresh S. Dalal ◽  
Feng-Ren Fan ◽  
...  
Keyword(s):  
Atomic Scale ◽  
Sensing Applications ◽  
Scale Design

scholarly journals Unraveling the atomic structure, ripening behavior, and electronic structure of supported Au20 clusters

2020 ◽  
Vol 6 (1) ◽  
pp. eaay4289 ◽  
Author(s):  
Zhe Li ◽  
Hsin-Yi Tiffany Chen ◽  
Koen Schouteden ◽  
Thomas Picot ◽  
Ting-Wei Liao ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Gold Nanoclusters ◽  
Real Space ◽  
Atomic Scale ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Free Standing ◽  
Fundamental Information ◽  
Temperature Scanning ◽  
Homo Lumo

The free-standing Au20 cluster has a unique tetrahedral shape and a large HOMO-LUMO (highest occupied molecular orbital–lowest unoccupied molecular orbital) gap of around 1.8 electron volts. The “magic” Au20 has been intensively used as a model system for understanding the catalytic and optical properties of gold nanoclusters. However, direct real-space ground-state characterization at the atomic scale is still lacking, and obtaining fundamental information about the corresponding structural, electronic, and dynamical properties, is challenging. Here, using cluster-beam deposition and low-temperature scanning tunneling microscopy, atom-resolved topographic images and electronic spectra of supported Au20 clusters are obtained. We demonstrate that individual size-selected Au20 on ultrathin NaCl films maintains its pyramidal structure and large HOMO-LUMO gap. At higher cluster coverages, we find sintering of the clusters via Smoluchowski ripening to Au20n agglomerates. The evolution of the electron density of states deduced from the spectra reveals gap reduction with increasing agglomerate size.

Atomic-scale design of friction and energy dissipation

2019 ◽  
Vol 99 (9) ◽  
Author(s):  
Antonio Cammarata ◽  
Paolo Nicolini ◽  
Kosta Simonovic ◽  
Egor Ukraintsev ◽  
Tomas Polcar
Keyword(s):  
Energy Dissipation ◽  
Atomic Scale ◽  
Scale Design

Atomic-Scale Structure and Stability of the Low-Index Surfaces of Pyrochlore Oxides

2016 ◽  
Vol 120 (19) ◽  
pp. 10485-10499 ◽  
Author(s):  
Pratik P. Dholabhai ◽  
Romain Perriot ◽  
Blas P. Uberuaga
Keyword(s):  
Scale Structure ◽  
Atomic Scale ◽  
Structure And Stability ◽  
Atomic Scale Structure ◽  
Pyrochlore Oxides
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