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Susan B. Sinnott
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A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
DW Brenner, OA Shenderova, JA Harrison, SJ Stuart, B Ni, SB Sinnott
Journal of Physics: Condensed Matter 14 (4), 783, 2002
45672002
Model of carbon nanotube growth through chemical vapor deposition
SB Sinnott, R Andrews, D Qian, AM Rao, Z Mao, EC Dickey, F Derbyshire
Chemical Physics Letters 315 (1-2), 25-30, 1999
8331999
Carbon nanotubes: synthesis, properties, and applications
SB Sinnott, R Andrews
Critical reviews in solid state and materials sciences 26 (3), 145-249, 2001
7302001
Effect of chemical functionalization on the mechanical properties of carbon nanotubes
A Garg, SB Sinnott
Chemical Physics Letters 295 (4), 273-278, 1998
4331998
Topology-scaling identification of layered solids and stable exfoliated 2D materials
M Ashton, J Paul, SB Sinnott, RG Hennig
Physical review letters 118 (10), 106101, 2017
4132017
Chemical functionalization of carbon nanotubes
SB Sinnott
Journal of Nanoscience and Nanotechnology 2 (2), 113-123, 2002
3772002
Parametrization of a reactive many-body potential for Mo–S systems
T Liang, SR Phillpot, SB Sinnott
Physical Review B—Condensed Matter and Materials Physics 79 (24), 245110, 2009
3572009
Classical atomistic simulations of surfaces and heterogeneous interfaces with the charge-optimized many body (COMB) potentials
T Liang, TR Shan, YT Cheng, BD Devine, M Noordhoek, Y Li, Z Lu, ...
Materials Science and Engineering: R: Reports 74 (9), 255-279, 2013
3062013
Compression of carbon nanotubes filled with C 60, CH 4, or Ne: predictions from molecular dynamics simulations
B Ni, SB Sinnott, PT Mikulski, JA Harrison
Physical review letters 88 (20), 205505, 2002
2842002
Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations
SB Sinnott, OA Shenderova, CT White, DW Brenner
Carbon 36 (1-2), 1-9, 1998
2761998
A computational study of molecular diffusion and dynamic flow through carbon nanotubes
Z Mao, SB Sinnott
The Journal of Physical Chemistry B 104 (19), 4618-4624, 2000
2722000
Charge optimized many-body potential for the system
J Yu, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 75 (8), 085311, 2007
2622007
Reactive potentials for advanced atomistic simulations
T Liang, YK Shin, YT Cheng, DE Yilmaz, KG Vishnu, O Verners, C Zou, ...
Annual review of materials research 43 (1), 109-129, 2013
2532013
Molecular dynamics simulations of the filling and decorating of carbon nanotubules
Z Mao, A Garg, SB Sinnott
Nanotechnology 10 (3), 273, 1999
2491999
Predicted surface composition and thermodynamic stability of MXenes in solution
M Ashton, K Mathew, RG Hennig, SB Sinnott
The Journal of Physical Chemistry C 120 (6), 3550-3556, 2016
2462016
Mixed Bloch-Néel-Ising character of ferroelectric domain walls
D Lee, RK Behera, P Wu, H Xu, YL Li, SB Sinnott, SR Phillpot, LQ Chen, ...
Physical Review B—Condensed Matter and Materials Physics 80 (6), 060102, 2009
2272009
Ceramic/metal interface structures and their relationship to atomic-and meso-scale properties
SB Sinnott, EC Dickey
Materials Science and Engineering: R: Reports 43 (1-2), 1-59, 2003
2152003
Separation of organic molecular mixtures in carbon nanotubes and bundles: molecular dynamics simulations
Z Mao, SB Sinnott
The journal of physical chemistry B 105 (29), 6916-6924, 2001
2112001
Two-dimensional intrinsic half-metals with large spin gaps
M Ashton, D Gluhovic, SB Sinnott, J Guo, DA Stewart, RG Hennig
Nano letters 17 (9), 5251-5257, 2017
1992017
Charge-optimized many-body potential for the hafnium/hafnium oxide system
TR Shan, BD Devine, TW Kemper, SB Sinnott, SR Phillpot
Physical Review B—Condensed Matter and Materials Physics 81 (12), 125328, 2010
1992010
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Artikelen 1–20