Kuang Yu
Kuang Yu
Tsinghua-Berkeley Shenzhen Institute
Verified email at - Homepage
Cited by
Cited by
Structural and Electronic Features of β-Ni(OH)2 and β-NiOOH from First Principles
AJ Tkalych, K Yu, EA Carter
The Journal of Physical Chemistry C 119 (43), 24315-24322, 2015
Constructing a Stable Interface Layer by Tailoring Solvation Chemistry in Carbonate Electrolytes for High‐Performance Lithium‐Metal Batteries
Z Piao, P Xiao, R Luo, J Ma, R Gao, C Li, J Tan, K Yu, G Zhou, HM Cheng
Advanced Materials 34 (8), 2108400, 2022
Ab Initio, Physically Motivated Force Fields for CO2 Adsorption in Zeolitic Imidazolate Frameworks
JG McDaniel, K Yu, JR Schmidt
The Journal of Physical Chemistry C 116 (2), 1892-1903, 2012
Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal–Organic Frameworks: Implications for CO2 Adsorption and Separation
K Yu, K Kiesling, JR Schmidt
The Journal of Physical Chemistry C 116 (38), 20480-20488, 2012
A Soft Porous Crystal based upon Organic Cages that Exhibits Guest-Induced Breathing and Selective Gas Separation
Z Wang, N Sikdar, SQ Wang, X Li, M Yu, XH Bu, Z Chang, X Zou, Y Chen, ...
Journal of the American Chemical Society, 2019
Transferable next-generation force fields from simple liquids to complex materials
JR Schmidt, K Yu, JG McDaniel
Accounts of Chemical Research 48 (3), 548-556, 2015
A strategy to stabilize kesterite CZTS for high-performance solar cells
K Yu, EA Carter
Chemistry of Materials 27 (8), 2920-2927, 2015
Communication: Comparing ab initio methods of obtaining effective U parameters for closed-shell materials
K Yu, EA Carter
The Journal of Chemical Physics 140 (12), 2014
High-performance lithium metal batteries with a wide operating temperature range in carbonate electrolyte by manipulating interfacial chemistry
P Xiao, R Luo, Z Piao, C Li, J Wang, K Yu, G Zhou, HM Cheng
ACS energy letters 6 (9), 3170-3179, 2021
Physically Motivated, Robust, ab Initio Force Fields for CO2 and N2
K Yu, JG McDaniel, JR Schmidt
The Journal of Physical Chemistry B 115 (33), 10054-10063, 2011
Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states
K Yu, F Libisch, EA Carter
The Journal of Chemical Physics 143 (10), 2015
Nonflammable, localized high-concentration electrolyte towards a high-safety lithium metal battery
C Zhang, S Gu, D Zhang, J Ma, H Zheng, M Zheng, R Lv, K Yu, J Wu, ...
Energy Storage Materials 52, 355-364, 2022
Many-body effects are essential in a physically motivated CO2 force field
K Yu, JR Schmidt
The Journal of Chemical Physics 136 (3), 2012
Elucidating Structural Disorder and the Effects of Cu Vacancies on the Electronic Properties of Cu2ZnSnS4
K Yu, EA Carter
Chemistry of Materials 28 (3), 864-869, 2016
Determining and Controlling the Stoichiometry of Cu2ZnSnS4 Photovoltaics: The Physics and Its Implications
K Yu, EA Carter
Chemistry of Materials 28 (12), 4415-4420, 2016
Viscous solvent-assisted planetary ball milling for the scalable production of large ultrathin two-dimensional materials
Y Zhou, L Xu, M Liu, Z Qi, W Wang, J Zhu, S Chen, K Yu, Y Su, B Ding, ...
ACS nano 16 (7), 10179-10187, 2022
Density and potential functional embedding: Theory and practice
K Yu, CM Krauter, JM Dieterich, EA Carter
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems, 81-117, 2017
Elucidating the crystal face-and hydration-dependent catalytic activity of hydrotalcites in biodiesel production
K Yu, JR Schmidt
The Journal of Physical Chemistry C 115 (5), 1887-1898, 2011
Extending density functional embedding theory for covalently bonded systems
K Yu, EA Carter
Proceedings of the National Academy of Sciences 114 (51), E10861-E10870, 2017
Potential functional embedding theory at the correlated wave function level. 1. Mixed basis set embedding
J Cheng, F Libisch, K Yu, M Chen, JM Dieterich, EA Carter
Journal of Chemical Theory and Computation 13 (3), 1067-1080, 2017
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