中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [6]
化学研究所 [5]
中国科学院大学 [4]
近代物理研究所 [4]
新疆理化技术研究所 [2]
上海应用物理研究所 [2]
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期刊论文 [27]
会议论文 [2]
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2023 [1]
2021 [1]
2020 [1]
2019 [2]
2017 [1]
2012 [1]
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学科主题
半导体物理 [1]
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Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2023, 卷号: 640, 页码: 10
作者:
Gong, Huiyong
;
Yuan, Xiaoze
;
Qing, Ming
;
Liu, Jinjia
;
Han, Xiao
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2023/10/16
Transition metals
Electronic effects
Oxygen removal
Electronegativity
Bonding analysis
Dynamic Activation of Adsorbed Intermediates via Axial Traction for the Promoted Electrochemical CO2 Reduction
期刊论文
OAI收割
Angewandte Chemie - International Edition, 2021, 卷号: 60, 期号: 8, 页码: 4192-4198
作者:
Wang, Xinyue
;
Wang, Yu
;
Sang, Xiahan
;
Zheng, Wanzhen
;
Zhang, Shihan
  |  
收藏
  |  
浏览/下载:90/0
  |  
提交时间:2021/09/06
Nickel compounds
Atoms
Carbon dioxide
Coordination reactions
Electrocatalysts
Electronic structure
Nitrogen
Oxygen
Reduction
Adsorbed intermediates
Faradic efficiency
Local environments
Metal centers
Nitrogen ligand
Overall reactions
Potential windows
Traction effects
An oxygen vacancy-rich two-dimensional Au/TiO2 hybrid for synergistically enhanced electrochemical N2 activation and reduction
期刊论文
OAI收割
Journal of Materials Chemistry A, 2020, 卷号: 8, 期号: 14, 页码: 6586-6596
作者:
Zhao, Sen
;
Liu, Han-Xuan
;
Qiu, Yu
;
Liu, Shuang-Quan
;
Diao, Jin-Xiang
  |  
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2021/09/06
Gold compounds
Ammonia
Catalyst selectivity
Chemical activation
Electrocatalysts
Electronic structure
Nitrogen
Oxide minerals
Oxygen
Oxygen vacancies
Reduction
Titanium dioxide
Electrocatalytic activity
Electron
donating effects
Faradaic efficiencies
Nitrogen reduction
Rate
limiting steps
Reversible hydrogen electrodes
Technical challenges
Theoretical calculations
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:
Su, He
;
Wu, Han
;
Wang, Hui
;
Wang, Hongyan
;
Ni, Yuxiang
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Noncovalent chalcogen bond
First-principles
Molecular structure
Electronic properties
Energetic effects
Rationally designed hybrids of NiCo2O4 and polymeric carbon nitride as faradaic electrodes with enhanced electrochemical performance
期刊论文
OAI收割
ELECTROCHIMICA ACTA, 2019, 卷号: 299, 期号: 3, 页码: 717-726
作者:
Wang, ZH (Wang, Zhonghao)[ 1,2 ]
;
Hu, X (Hu, Xun)[ 1 ]
;
Wang, LN (Wang, Lina)[ 1 ]
;
Jin, BJ (Jin, Bingjun)[ 2 ]
;
Zou, GJ (Zou, Guojun)[ 1 ]
  |  
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2019/02/25
Polymeric carbon nitride
Hydrophilic
Electronic structural states
Coupling effects
Electrochemical performance
First-principles study lone-pair effects of Sb (III)-S chromophore influence on SHG response in quaternary potassium containing silver antimony sulfides
期刊论文
OAI收割
JOURNAL OF SOLID STATE CHEMISTRY, 2017, 卷号: 249, 期号: 5, 页码: 215-220
作者:
Huang, JB (Huang, Junben)
;
Su, X (Su, Xin)
;
Hou, DW (Hou, Dianwei)
;
Lei, BH (Lei, Binghua)
;
Yang, ZH (Yang, Zhihua)
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2017/05/16
Optical properties
Lone pair effects
Electronic structure
Potassium Ag-containing thioantimonates
Theoretical study on photophysical property of cuprous bis-phenanthroline coordination complexes
期刊论文
OAI收割
ORGANIC ELECTRONICS, 2012, 卷号: 13, 期号: 11, 页码: 2627-2638
作者:
Zou, Lu-Yi
;
Ma, Ming-Shuo
;
Zhang, Zi-Long
;
Li, Hui
;
Cheng, Yan-Xiang
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/04/09
Density Functional Theory
Electronic Structure
Cuprous Bis-phenanthroline Coordination Complexes
Counteranion Effects
Phosphorescence Quantum Yields
Mechanism of the linear and nonlinear optical effects of sralf5 and bamgf4 crystals
期刊论文
iSwitch采集
Solid state communications, 2010, 卷号: 150, 期号: 47-48, 页码: 2318-2321
作者:
Huang, He
;
Lin, Z. S.
;
Bai, Lei
;
He, Ran
;
Chen, C. T.
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/05/10
Fluoride crystals
Electronic structures
Linear and nonlinear optical effects
First-principles
Experimental and theoretical study for substituent effects of three 2-bromothiophene derivatives
期刊论文
OAI收割
JOURNAL OF MOLECULAR STRUCTURE, 2010, 卷号: 978, 期号: 1-3, 页码: 108-113
作者:
Tong, Shengrui
;
Ma, Chunping
;
Ge, Maofa
;
Wang, Weigang
;
Wang, Dianxun
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/04/09
Substituent Effects
Electronic Structures
Substituted Thiophenes
Photoelectron Spectroscopy
Experimental and theoretical study for substituent effects of three 2-bromothiophene derivatives
期刊论文
iSwitch采集
Journal of molecular structure, 2010, 卷号: 978, 期号: 1-3, 页码: 108-113
作者:
Tong, Shengrui
;
Ma, Chunping
;
Ge, Maofa
;
Wang, Weigang
;
Wang, Dianxun
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/05/10
Substituent effects
Electronic structures
Substituted thiophenes
Photoelectron spectroscopy