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Nanoscale|October 8, 2016
Geometric structure, electronic structure and optical absorption properties of one-dimensional thiolate-protected gold clusters containing a quasi-face-centered-cubic (quasi-fcc) Au-core: a density-functional theoretical studyZhongyun Ma, Pu Wang, Yong Pei
Physical Chemistry Chemical Physics : PCCP|May 3, 2023
Li ion diffusion behavior of Li<sub>3</sub>OCl solid-state electrolytes with different defect structures: insights from the deep potential modelZhou Zhang, Zhongyun Ma, Yong Pei
Small (Weinheim an Der Bergstrasse, Germany)|June 21, 2023
Theoretical Insights into Single-Atom Catalysts Supported on N-Doped Defective Graphene for Fast Reaction Redox Kinetics in Lithium-Sulfur BatteriesTengfei Duan, Li Wang, Zhongyun Ma, et al.
Accounts of Chemical Research|December 15, 2018
Growth-Rule-Guided Structural Exploration of Thiolate-Protected Gold NanoclustersYong Pei, Pu Wang, Zhongyun Ma, et al.
Nanoscale|February 20, 2024
A doping strategy to regulate the adsorption energy of Li<sub>2</sub>S<sub>4</sub> and Li<sub>2</sub>S to promote sulfur reduction on Chevrel phase Mo<sub>6</sub>Se<sub>8</sub> in lithium-sulfur batteriesTengfei Duan, Dong Fan, Zhongyun Ma, et al.
The Journal of Physical Chemistry. A|July 9, 2024
Chiral Inversion of Au<sub>40</sub>(SR)<sub>24</sub> Nanocluster Driven by Rotation of Gold Tetrahedra in the Kekulé-like CoreHengzhi Liu, Ying Yang, Zhongyun Ma, et al.
Nanoscale|February 9, 2017
A ten-electron (10e) thiolate-protected Au<sub>29</sub>(SR)<sub>19</sub> cluster: structure prediction and a 'gold-atom insertion, thiolate-group elimination' mechanismLin Xiong, Baoliang Peng, Zhongyun Ma, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|March 12, 2014
Interface electronic structures of reversible double-docking self-assembled monolayers on an Au(111) surfaceTian Zhang, Zhongyun Ma, Linjun Wang, et al.
ACS Applied Materials & Interfaces|September 17, 2014
Enhanced Li storage performance of LiNi(0.5)Mn(1.5)O(4)-coated 0.4Li(2)MnO(3)·0.6LiNi(1/3)Co(1/3)Mn(1/3)O(2) cathode materials for li-ion batteriesYufang Chen, Kai Xie, Chunman Zheng, et al.
Nanoscale|February 10, 2018
Exploring the structure evolution and core/ligand structure patterns of a series of large sized thiolate-protected gold clusters Au<sub>145-3N</sub>(SR)<sub>60-2N</sub> (N = 1-8): a first principles studyPu Wang, Lin Xiong, Xiangxiang Sun, et al.
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