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Distributed Multi-GPU
Ab Initio
Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase
期刊论文
OAI收割
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 卷号: 20, 期号: 2, 页码: 775-786
作者:
Xiang, Chunyang
;
Jia, Weile
;
Fang, Wei-Hai
;
Li, Zhendong
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收藏
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浏览/下载:0/0
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提交时间:2024/05/20
Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries
期刊论文
OAI收割
ENERGY STORAGE MATERIALS, 2022, 卷号: 51, 页码: 890-899
作者:
Xiao, Ru
;
Yu, Tong
;
Yang, Shan
;
Chen, Ke
;
Li, Zhuangnan
  |  
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2022/09/16
Lithium-sulfur battery
Single-atom catalysts
Lithium sulfide
Insulator-to-metal transition
Redox reaction kinetics
Insights on copper, manganese, and Nickel/ZSM-5 catalytic mechanisms for nitric oxides selective reduction with ammonia
期刊论文
OAI收割
Carbon Resources Conversion, 2022, 卷号: 5, 期号: 1, 页码: 15-25
作者:
Liu C
;
Kang RN(康润宁)
;
Bin F(宾峰)
;
Wei XL(魏小林)
;
Hui KN
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/03/01
One stone two birds: Vanadium doping as dual roles in self-reduced Pt clusters and accelerated water splitting
期刊论文
OAI收割
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 66, 页码: 493-501
作者:
Feng, Yihan
;
Li, Zichuang
;
Li, Shanlin
;
Yang, Minghui
;
Ma, Ruguang
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收藏
  |  
浏览/下载:49/0
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提交时间:2021/12/01
LAYERED DOUBLE HYDROXIDE
ELECTROCATALYSTS
EFFICIENT
Visible light assisted heterogeneous photo-Fenton-like degradation of Rhodamine B based on the Co-POM/N-TiO(2 )composites: Catalyst properties, photogenerated carrier transfer and degradation mechanism
期刊论文
OAI收割
Colloids and Surfaces a-Physicochemical and Engineering Aspects, 2022, 卷号: 648, 页码: 12
作者:
S. Li
;
J. T. Zhang
;
Y. H. Cao
;
Y. Z. Yang
;
T. F. Xie and Y. H. Lin
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/07/14
Accurate prediction of vacancy cluster structures and energetics in bcc transition metals
期刊论文
OAI收割
ACTA MATERIALIA, 2021, 卷号: 211
作者:
Hou, Jie
;
You, Yu-Wei
;
Kong, Xiang-Shan
;
Song, Jun
;
Liu, C. S.
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收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/08/30
Nanovoid
bcc Metal
Multi-scale modelling
Crystal defects
Heterogeneous single-cluster catalysts (Mn-3, Fe-3, Co-3, and Mo-3) supported on nitrogen-doped graphene for robust electrochemical nitrogen reduction
期刊论文
OAI收割
JOURNAL OF ENERGY CHEMISTRY, 2021, 卷号: 54, 页码: 612-619
作者:
Zheng, Guokui
;
Li, Lei
;
Tian, Ziqi
;
Zhang, Xingwang
;
Chen, Liang
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/12/01
ATOM CATALYSTS
AMMONIA-SYNTHESIS
OXYGEN REDUCTION
N-2 REDUCTION
FIXATION
ELECTROREDUCTION
ELECTROCATALYST
PERFORMANCE
STRATEGIES
MONOLAYER
Short-Range Ordered Iridium Single Atoms Integrated into Cobalt Oxide Spinel Structure for Highly Efficient Electrocatalytic Water Oxidation
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2021, 卷号: 143, 期号: 13, 页码: 5201--5211
作者:
BSRF用户
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收藏
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浏览/下载:6/0
  |  
提交时间:2022/09/15
Engineering defect-rich Fe-doped NiO coupled Ni cluster nanotube arrays with excellent oxygen evolution activity
期刊论文
OAI收割
APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 285, 页码: 119809
作者:
BSRF用户
  |  
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2022/09/15
Transition metal-doped alpha-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study
期刊论文
OAI收割
CATALYSIS COMMUNICATIONS, 2020
作者:
Zhang, P
;
Xu, XJ
;
Song, EH
;
Hou, XL
;
Yang, XJ
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收藏
  |  
浏览/下载:18/0
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提交时间:2020/12/23