Yue Qi
Title
Cited by
Cited by
Year
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
4532001
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
3722010
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
3472012
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
3441999
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
3361999
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
3262010
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
2802018
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
2642004
In situ observation of strains during lithiation of a graphite electrode
Y Qi, SJ Harris
Journal of The Electrochemical Society 157 (6), A741, 2010
2252010
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
2142006
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
1812013
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
1802014
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
1732009
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
1632016
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
1632011
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
1512010
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
1502017
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
1492011
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
1412006
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 (OPL) 554, 1998
1411998
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Articles 1–20