引用次数
引用: 3,232
H-指数: 24
I10-指数 : 36
出版物: 66
Resolving the Evolution of Atomic Layer-Deposited Thin-Film Growth by Continuous In Situ X-Ray Absorption Spectroscopy
Dario J. Stacchiola , Eli Stavitski , Klaus Attenkofer , Deyu Lu
Chemistry of Materials 33 ( 5) 1740 -1751
2021
The mechanism of antiparallel β -sheet formation based on conditioned self-avoiding walk
Boon Chong Goh , Hon Wai Leong , Xiaohui Qu , Lock Yue Chew
European Physical Journal E 35 ( 4) 27
5
2012
Characterization and Modeling of Coarsening Mechanisms in Supported Nanoparticle Ensemble.
Dmitri N. Zakharov , Alexei Tkachenko , Xiaohui Qu , Hong Wang
Microscopy and Microanalysis 25 1420 -1421
2019
Experimental and first-principles study of a metal–organic framework with sulfur embedding cathode for enhanced performance lithium–sulfur battery
Yan Feng , Yuliang Zhang , Guixiang Du , Jingbo Zhang
Sustainable Energy and Fuels 2 ( 8) 1828 -1836
5
2018
Unravelling the Enhanced High‐Temperature Performance of Lithium‐Rich Oxide Cathode with Methyl Diphenylphosphinite as Electrolyte Additive
Shuaifeng Lou , Yulin Ma , Zhenxin Zhou , Hua Huo
ChemElectroChem 5 ( 12) 1569 -1575
28
2018
Cover Feature: Unravelling the Enhanced High‐Temperature Performance of Lithium‐Rich Oxide Cathode with Methyl Diphenylphosphinite as Electrolyte Additive (ChemElectroChem 12/2018)
Shuaifeng Lou , Yulin Ma , Zhenxin Zhou , Hua Huo
ChemElectroChem 5 ( 12) 1535 -1535
2018
The Electrolyte Genome project: A big data approach in battery materials discovery
Xiaohui Qu , Anubhav Jain , Nav Nidhi Rajput , Lei Cheng
Computational Materials Science 103 56 -67
171
2015
Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode
Paul F Newhouse , Sebastian E Reyes-Lillo , Guo Li , Lan Zhou
Chemistry of Materials 29 ( 23) 10027 -10036
21
2017
Three-Dimensional Growth of Li2S in Lithium-Sulfur Batteries Promoted by a Redox Mediator.
Laura CH Gerber , Peter D Frischmann , Frank Y Fan , Sean E Doris
Nano Letters 16 ( 1) 549 -554
180
2016
Machine Learning Estimation of Atom Condensed Fukui Functions.
Qingyou Zhang , Fangfang Zheng , Tanfeng Zhao , Xiaohui Qu
Molecular Informatics 35 ( 2) 62 -69
5
2016
Toward Accurate Modeling of the Effect of Ion-Pair Formation on Solute Redox Potential
Xiaohui Qu , Kristin A. Persson
Journal of Chemical Theory and Computation 12 ( 9) 4501 -4508
8
2016
A QSPR approach for the fast estimation of DFT/NBO partial atomic charges☆
Qingyou Zhang , Fangfang Zheng , Rui Fartaria , Diogo A.R.S. Latino
Chemometrics and Intelligent Laboratory Systems 134 158 -163
21
2014
A big data approach to the ultra-fast prediction of DFT-calculated bond energies
Xiaohui Qu , Diogo ARS Latino , Joao Aires-de-Sousa
Journal of Cheminformatics 5 ( 1) 34 -34
26
2013
Computational Design of New Magnesium Electrolytes with Improved Properties
Xiaohui Qu , Yong Zhang , Nav Nidhi Rajput , Anubhav Jain
Journal of Physical Chemistry C 121 ( 30) 16126 -16136
13
2017
Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review
Nav Nidhi Rajput , Trevor J. Seguin , Brandon M. Wood , Xiaohui Qu
Topics in Current Chemistry 376 ( 3) 19
85
2018
Evaluation of sulfur spinel compounds for multivalent battery cathode applications
Miao Liu , Anubhav Jain , Ziqin Rong , Xiaohui Qu
Energy and Environmental Science 9 ( 10) 3201 -3209
114
2016
Mechanism and direct dynamics studies for the reaction of monoethylsilane EtSiH3 with atomic O (3P)
Tingli Sun , Qingzhu Zhang , Xiaohui Qu , Wenxing Wang
Chemical Physics Letters 407 ( 4) 527 -532
6
2005
Theoretical study on mechanism for NO3-initiated atmospheric oxidation of naphthalene
Xiaohui Qu , Qingzhu Zhang , Wenxing Wang ,
Chemical Physics Letters 432 ( 1) 40 -49
15
2006
Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study
Xiaohui Qu , Qingzhu Zhang , Wenxing Wang ,
Chemical Physics Letters 426 ( 1) 13 -19
12
2006
Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx : A DFT study
Xiaohui Qu , Qingzhu Zhang , Wenxing Wang ,
Chemical Physics Letters 429 ( 1) 77 -85
26
2006