| Melting and crystallization in Ni nanoclusters: The mesoscale regime Y Qi, T Çağin, WL Johnson, WA Goddard III The journal of chemical physics 115 (1), 385-394, 2001 | 450 | 2001 |
| Elastic softening of amorphous and crystalline Li–Si phases with increasing Li concentration: a first-principles study VB Shenoy, P Johari, Y Qi Journal of Power Sources 195 (19), 6825-6830, 2010 | 363 | 2010 |
| Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni Y Qi, T Çağın, Y Kimura, WA Goddard III Physical review B 59 (5), 3527, 1999 | 337 | 1999 |
| Strain rate induced amorphization in metallic nanowires H Ikeda, Y Qi, T Cagin, K Samwer, WL Johnson, WA Goddard III Physical Review Letters 82 (14), 2900, 1999 | 330 | 1999 |
| Direct calculation of Li-ion transport in the solid electrolyte interphase S Shi, P Lu, Z Liu, Y Qi, LG Hector Jr, H Li, SJ Harris Journal of the American Chemical Society 134 (37), 15476-15487, 2012 | 328 | 2012 |
| Threefold increase in the Young’s modulus of graphite negative electrode during lithium intercalation Y Qi, H Guo, LG Hector Jr, A Timmons Journal of The Electrochemical Society 157 (5), A558, 2010 | 315 | 2010 |
| Adhesion and nonwetting-wetting transition in the interface Q Zhang, T Çaǧın, A Van Duin, WA Goddard III, Y Qi, LG Hector Jr Physical Review B 69 (4), 045423, 2004 | 256 | 2004 |
| Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries A Wang, S Kadam, H Li, S Shi, Y Qi NPJ Computational materials 4 (1), 1-26, 2018 | 241 | 2018 |
| In situ observation of strains during lithiation of a graphite electrode Y Qi, SJ Harris Journal of The Electrochemical Society 157 (6), A741, 2010 | 218 | 2010 |
| Mesoscale simulation of morphology in hydrated perfluorosulfonic acid membranes JT Wescott, Y Qi, L Subramanian, T Weston Capehart The Journal of chemical physics 124 (13), 134702, 2006 | 213 | 2006 |
| Lithium concentration dependent elastic properties of battery electrode materials from first principles calculations Y Qi, LG Hector Jr, C James, KJ Kim Journal of The Electrochemical Society 161 (11), F3010, 2014 | 174 | 2014 |
| Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries S Shi, Y Qi, H Li, LG Hector Jr The Journal of Physical Chemistry C 117 (17), 8579-8593, 2013 | 173 | 2013 |
| Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions JA Yasi, T Nogaret, DR Trinkle, Y Qi, LG Hector, WA Curtin Modelling and Simulation in Materials Science and Engineering 17 (5), 055012, 2009 | 170 | 2009 |
| Using atomic layer deposition to hinder solvent decomposition in lithium ion batteries: first-principles modeling and experimental studies K Leung, Y Qi, KR Zavadil, YS Jung, AC Dillon, AS Cavanagh, SH Lee, ... Journal of the American Chemical Society 133 (37), 14741-14754, 2011 | 160 | 2011 |
| Synergetic effects of inorganic components in solid electrolyte interphase on high cycle efficiency of lithium ion batteries Q Zhang, J Pan, P Lu, Z Liu, MW Verbrugge, BW Sheldon, YT Cheng, Y Qi, ... Nano letters 16 (3), 2011-2016, 2016 | 153 | 2016 |
| Effects of concentration-dependent elastic modulus on diffusion-induced stresses for battery applications R Deshpande, Y Qi, YT Cheng Journal of the Electrochemical Society 157 (8), A967, 2010 | 149 | 2010 |
| The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study P Johari, Y Qi, VB Shenoy Nano letters 11 (12), 5494-5500, 2011 | 143 | 2011 |
| Calculation of mechanical, thermodynamic and transport properties of metallic glass formers T Cagin, Y Kimura, Y Qi, H Li, H Ikeda, WL Johnson, WA Goddard Materials Research Society Symposium Proceedings 554, 43-50, 1999 | 139 | 1999 |
| Atmospheric effects on the adhesion and friction between non-hydrogenated diamond-like carbon (DLC) coating and aluminum–A first principles investigation Y Qi, E Konca, AT Alpas Surface Science 600 (15), 2955-2965, 2006 | 136 | 2006 |
| How solid-electrolyte interphase forms in aqueous electrolytes L Suo, D Oh, Y Lin, Z Zhuo, O Borodin, T Gao, F Wang, A Kushima, ... Journal of the American Chemical Society 139 (51), 18670-18680, 2017 | 133 | 2017 |
William A GoddardProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu
William A GoddardProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu