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Year
Negating interfacial impedance in garnet-based solid-state Li metal batteries
X Han, Y Gong, K Fu, X He, GT Hitz, J Dai, A Pearse, B Liu, H Wang, ...
Nature materials 16 (5), 572-579, 2017
18732017
Origin of outstanding stability in the lithium solid electrolyte materials: insights from thermodynamic analyses based on first-principles calculations
Y Zhu, X He, Y Mo
ACS applied materials & interfaces 7 (42), 23685-23693, 2015
16262015
Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes
F Han, Y Zhu, X He, Y Mo, C Wang
Advanced Energy Materials 6 (8), 1501590, 2016
10232016
First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries
Y Zhu, X He, Y Mo
Journal of Materials Chemistry A 4 (9), 3253-3266, 2016
9212016
Origin of fast ion diffusion in super-ionic conductors
X He, Y Zhu, Y Mo
Nature communications 8 (1), 15893, 2017
8472017
Super‐aligned carbon nanotube films as current collectors for lightweight and flexible lithium ion batteries
K Wang, S Luo, Y Wu, X He, F Zhao, J Wang, K Jiang, S Fan
Advanced Functional Materials 23 (7), 846-853, 2013
3362013
Statistical variances of diffusional properties from ab initio molecular dynamics simulations
X He, Y Zhu, A Epstein, Y Mo
npj Computational Materials 4 (1), 18, 2018
3342018
Computation-accelerated design of materials and interfaces for all-solid-state lithium-ion batteries
AM Nolan, Y Zhu, X He, Q Bai, Y Mo
Joule 2 (10), 2016-2046, 2018
3102018
Strategies based on nitride materials chemistry to stabilize Li metal anode
Y Zhu, X He, Y Mo
Advanced Science 4 (8), 1600517, 2017
2462017
Unsupervised discovery of solid-state lithium ion conductors
Y Zhang, X He, Z Chen, Q Bai, AM Nolan, CA Roberts, D Banerjee, ...
Nature communications 10 (1), 5260, 2019
2312019
Crystal structural framework of lithium super‐ionic conductors
X He, Q Bai, Y Liu, AM Nolan, C Ling, Y Mo
Advanced Energy Materials 9 (43), 1902078, 2019
1472019
Accelerated materials design of Na 0.5 Bi 0.5 TiO 3 oxygen ionic conductors based on first principles calculations
X He, Y Mo
Physical Chemistry Chemical Physics 17 (27), 18035-18044, 2015
1332015
Hybrid super-aligned carbon nanotube/carbon black conductive networks: A strategy to improve both electrical conductivity and capacity for lithium ion batteries
K Wang, Y Wu, S Luo, X He, J Wang, K Jiang, S Fan
Journal of Power Sources 233, 209-215, 2013
812013
Enhanced rate capabilities of Co 3 O 4/carbon nanotube anodes for lithium ion battery applications
X He, Y Wu, F Zhao, J Wang, K Jiang, S Fan
Journal of Materials Chemistry A 1 (37), 11121-11125, 2013
562013
Computation‐Guided Design of LiTaSiO5, a New Lithium Ionic Conductor with Sphene Structure
S Xiong#, X He#, A Han, Z Liu, Z Ren, B McElhenny, AM Nolan, S Chen, ...
Advanced Energy Materials 9 (22), 1803821, 2019
452019
First-Principles Study of Oxyhydride H Ion Conductors: Toward Facile Anion Conduction in Oxide-Based Materials
Q Bai, X He, Y Zhu, Y Mo
ACS Applied Energy Materials 1 (4), 1626-1634, 2018
362018
Anodes of lithium battery
XF He, Y Wu, JP Wang, KL Jiang, SS Fan
US Patent App. 13/869,946, 2014
252014
First principles hybrid functional study of small polarons in doped SrCeO3 perovskite: towards computation design of materials with tailored polaron
Q Bai, Y Zhu, X He, E Wachsman, Y Mo
Ionics 24, 1139-1151, 2018
152018
Li15P4S16Cl3, a Lithium Chlorothiophosphate as a Solid-State Ionic Conductor
Z Liu, T Zinkevich, S Indris, X He, J Liu, W Xu, J Bai, S Xiong, Y Mo, ...
Inorganic Chemistry 59 (1), 226-234, 2019
142019
Discrepancies and error evaluation metrics for machine learning interatomic potentials
Y Liu, X He, Y Mo
npj Computational Materials 9 (1), 174, 2023
92023
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Articles 1–20