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 | 4493 | 2002 |
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 | 829 | 1999 |
Carbon nanotubes: synthesis, properties, and applications SB Sinnott, R Andrews Critical reviews in solid state and materials sciences 26 (3), 145-249, 2001 | 720 | 2001 |
Effect of chemical functionalization on the mechanical properties of carbon nanotubes A Garg, SB Sinnott Chemical Physics Letters 295 (4), 273-278, 1998 | 433 | 1998 |
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 | 397 | 2017 |
Chemical functionalization of carbon nanotubes SB Sinnott Journal of Nanoscience and Nanotechnology 2 (2), 113-123, 2002 | 375 | 2002 |
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 | 350 | 2009 |
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 | 295 | 2013 |
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 | 282 | 2002 |
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 | 273 | 1998 |
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 | 272 | 2000 |
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 | 258 | 2007 |
Molecular dynamics simulations of the filling and decorating of carbon nanotubules Z Mao, A Garg, SB Sinnott Nanotechnology 10 (3), 273, 1999 | 248 | 1999 |
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 | 245 | 2013 |
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 | 231 | 2016 |
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 | 225 | 2009 |
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 | 213 | 2003 |
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 | 210 | 2001 |
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 | 194 | 2010 |
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 | 187 | 2017 |