Yue Qi
Cited by
Cited by
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
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
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
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
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
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
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
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
In situ observation of strains during lithiation of a graphite electrode
Y Qi, SJ Harris
Journal of The Electrochemical Society 157 (6), A741, 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
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
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
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
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
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
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
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
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
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
Calculation of mechanical, thermodynamic and transport properties of metallic glass formers
T Çağin, Y Kimura, Y Qi, H Li, H Ikeda, WL Johnsonb, WA Goddard
MRS Online Proceedings Library 554 (1), 43-48, 1998
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Articles 1–20