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Yue Qi
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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
8312018
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
4832001
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
4522012
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
4122010
Threefold increase in the Young’s modulus of graphite negative electrode during lithium intercalation
Y Qi, H Guo, LG Hector, A Timmons
Journal of The Electrochemical Society 157 (5), A558, 2010
3942010
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
3651999
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
3601999
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
2812004
In situ observation of strains during lithiation of a graphite electrode
Y Qi, SJ Harris
Journal of The Electrochemical Society 157 (6), A741, 2010
2662010
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
2552017
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
2502016
Reversible planar gliding and microcracking in a single-crystalline Ni-rich cathode
Y Bi, J Tao, Y Wu, L Li, Y Xu, E Hu, B Wu, J Hu, C Wang, JG Zhang, Y Qi, ...
Science 370 (6522), 1313-1317, 2020
2312020
Lithium concentration dependent elastic properties of battery electrode materials from first principles calculations
Y Qi, LG Hector, C James, KJ Kim
Journal of The Electrochemical Society 161 (11), F3010, 2014
2282014
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
2242013
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
2232006
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
1892011
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
1832009
Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction
XL Wang, K An, L Cai, Z Feng, SE Nagler, C Daniel, KJ Rhodes, ...
Scientific reports 2 (1), 1-7, 2012
1692012
Modulation of dendritic patterns during electrodeposition: A nonlinear phase-field model
L Chen, HW Zhang, LY Liang, Z Liu, Y Qi, P Lu, J Chen, LQ Chen
Journal of Power Sources 300, 376-385, 2015
1682015
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
1682011
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