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The Decomposition of Methanol on Clean and Oxygen-Predosed V (100) surface: A first-principles study
[会议论文] 作者：Hui Wang,Chaozheng He,Jingyao Liu,
来源：第十一届全国量子化学会议 年份：2011
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Porous carbon framework nested nickel foam as freestanding host for high energy lithium sulfur batte
[期刊论文] 作者：Yan Song,Xiuyuan Li,Chaozheng He,
来源：中国化学快报（英文版） 年份：2021
Constructing 3D multifunctional conductive framework as stable sulfur cathode contributes to develop advanced lithium-sulfur (Li-S) batteries. Herein, a freesta...
[期刊论文] 作者：Jinrong Huo,Ling Fu,Chenxu Zhao,Chaozheng He,
来源：中国化学快报（英文版） 年份：2021
In this paper, the process of ammonia borane (AB) hydrolysis generate H2 on the transition metal Fe@Co core-shell structure has been obtained. According to the different roles played by H2O molecules and the number of H2O molecules involved......
[期刊论文] 作者：Ran Wang,Chaozheng He,Weixing Chen,Chenxu Zhao,Jinrong Huo,
来源：中国化学快报（英文版） 年份：2021
The photocatalytic nitrogen reduction reaction (NRR) has mild reaction conditions and only requires sun-light energy as a driving force to replace the traditional ammonia synthesis method. We herein investi-gate the catalytic activity and s......
Two-dimensional 1T-PS2 as a promising anode material for sodium-ion batteries with ultra-high capaci
[期刊论文] 作者：Dawei Zhou,Chunping Li,Furong Yin,Xin Tang,Chunying Pu,Chaozheng He,
来源：中国化学快报（英文版） 年份：2020
As electrodes, two-dimensional materials show special advantages including the infinite planar lengths, broad electrochemical window, large surface–volume rati...
Two-dimensional MgSiP_(2) with anisotropic electronic properties and good performances for Na-ion ba
[期刊论文] 作者：Chunying Pu,Jiahui Yu,Ling Fu,Jia Wang,Houyong Yanga,Dawei Zhou,Chaozheng He,
来源：中国化学快报：英文版 年份：2021
Using the global particle-swarm optimization method and density functional theory,we predict a new stable two-dimensional layered material:MgSiP2with a low-buckled honeycomb lattice.Our HSE06 calculation shows that MgSiP2is an indire...
Prediction of semiconducting SiP2 monolayer with negative Possion’s ratio, ultrahigh carrier mobilit
[期刊论文] 作者：Xi Fu,Houyong Yang,Ling Fu,Chaozheng He,Jinrong Huo,Jiyuan Guo,Liming Li,
来源：中国化学快报（英文版） 年份：2021
Using particle swarm optimization (PSO) methodology for crystal structure prediction, we predicted a novel two-dimensional (2D) monolayer of silicide diphosphor...
Two-dimensional MgSiP2 with anisotropic electronic properties and good performances for Na-ion batte
[期刊论文] 作者：Chunying Pu,Jiahui Yu,Ling Fu,Jia Wang,Houyong Yang,Dawei Zhou,Chaozheng He,
来源：中国化学快报（英文版） 年份：2021
Using the global particle-swarm optimization method and density functional theory, we predict a new stable two-dimensional layered material: MgSiP2 with a low-b...
[期刊论文] 作者：Houyong Yang,Chaozheng He,Ling Fu,Jinrong Huo,Chenxu Zhao,Xiuyuan Li,Yan Song,
来源：中国化学快报（英文版） 年份：2021
In order to reduce the greenhouse effect caused by the rapid increase of CO2 concentration in the atmosphere,it is necessary to develop more efficient,controllable,and highly sensitive adsorbing materials.In this study,the adsorption behavi......
[期刊论文] 作者：Wei Song,Jia Wang,Ling Fu,Chaozheng He,Chenxu Zhao,Yongliang Guo,Jinrong Huo,Guohui Dong,
来源：中国化学快报（英文版） 年份：2021
Ammonia (NH3) is considered an attractive candidate as a clean,highly efficient energy carrier.The electrocatalytic nitrogen reduction reaction (NRR) can reduce energy input and carbon footprint;therefore,rational design of effective electr......
Defect engineering for high-selection-performance of NO reduction to NH3 over CeO2 (111) surface:A D
[期刊论文] 作者：Chaozheng He,Risheng Sun,Ling Fu,Jinrong Huo,Chenxu Zhao,Xiuyuan Li,Yan Song,Sumin Wang,
来源：中国化学快报（英文版） 年份：2022
To reduce the greenhouse effect caused by the surgery of nitrogen-oxides concentration in the atmo-sphere and develop a future energy carrier of renewables,it is very critical to develop more efficient,controllable,and highly sensitive cata......
Prediction of stable BC3N2 monolayer from first-principles calculations:Stoichiometry,crystal struct
[期刊论文] 作者：Jiahui Yu,Chaozheng He,Chunying Pu,Ling Fu,Dawei Zhou,Kun Xie,Jinrong Huo,Chenxu Zhao,Lingmin Yu,
来源：中国化学快报（英文版） 年份：2021
In this paper,a novel BC3N2 monolayer has been found with a graphene-like structure using the developed particle swarm optimization algorithm in combination with ab initio calculations.The predicted structure meets the thermodynamical,dynam......
[期刊论文] 作者：Lei Chen,Chaozheng He,Ran Wang,Qian Li,Jian Zeng,Wei Liu,Yuchao Wang,Qichen Wang,Tong Ye,Yougen Tang,,
来源：中国化学快报（英文版） 年份：2021
Single atom catalysts (SACs) with isolated metal atoms dispersed on supports exhibit distinctive performances for electrocatalysis reactions. The designable rea...
[期刊论文] 作者：Lan Zhou,Yi Dai,Ningning Ji,Huanjiang Wang,Zhiqiang Shi,Guoyong Zhou,Baokuan Chen,Yingchun Luo,Chaozheng He,
来源：中国化学快报（英文版） 年份：2020
A new copper-thiolate cluster assembled framework [Cu2(μ4-SCH3)Cl]n (1), has been solvothermally synthesized through in situ reaction viz., in situ ligand gene...
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