Yue Qi
Yue Qi
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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
4542001
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
3802010
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
3572018
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
3552012
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
3471999
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
3371999
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
3332010
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
2682004
In situ observation of strains during lithiation of a graphite electrode
Y Qi, SJ Harris
Journal of The Electrochemical Society 157 (6), A741, 2010
2312010
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
2172006
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
1882014
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
1842013
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
1742009
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
1722016
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
1662011
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
1652017
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
1552011
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
1542010
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
1422006
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
1421998
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