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浏览/检索结果:
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Modulation the reaction paths of oxygen removal by electronic effects for Fe5C2(100) surfaces
期刊论文
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:33/0
  |  
提交时间:2023/10/16
Transition metals
Electronic effects
Oxygen removal
Electronegativity
Bonding analysis
Interstitial doping of K and Mn induced structural distortion and electronic properties changes in all-inorganic CsPbI2Br perovskite
期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 4
作者:
Xue, Hong-Tao
;
Hu, Zhong-Lin
;
Luo, Ya-Qiao
;
An, Jun-Peng
;
Tang, Fu-Ling
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/06/20
Binary alloys
Bromine compounds
Calculations
Electronic properties
Lead compounds
Manganese
Photovoltaic effects
Structural properties
CsPbI2br perovskite
First principle calculations
Inorganics
Interstitial doping
Interstitials
K-doping
Mn-doping
Octahedral interstices
Property changes
Structural distortions
Vacancy defects on optoelectronic properties of double perovskite Cs2AgBiBr6
期刊论文
Materials Science in Semiconductor Processing, 2021, 卷号: 123
作者:
Chen, Hong
;
Zhang, Cai-Rong
;
Liu, Zi-Jiang
;
Gong, Ji-Jun
;
Wang, Wei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2021/03/02
Binding energy
Bismuth compounds
Cesium compounds
Crystal atomic structure
Defects
Density functional theory
Electronic structure
Energy gap
Excitons
Light absorption
Perovskite
Red Shift
Silver compounds
Absorption capability
Double perovskites
Exciton-binding energy
Low energy regions
Optoelectronic properties
Slight deformations
Supercell model
Vacancy effects
Dynamic Activation of Adsorbed Intermediates via Axial Traction for the Promoted Electrochemical CO2 Reduction
期刊论文
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
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  |  
浏览/下载:79/0
  |  
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
Interface configuration effects on excitation, exciton dissociation, and charge recombination in organic photovoltaic heterojunction
期刊论文
International Journal of Quantum Chemistry, 2020, 卷号: 120, 期号: 4
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Yuan, Li-Hua
;
Zhang, Mei-Ling
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Charge transfer
Density functional theory
Dissociation
Electronic structure
Excited states
Excitons
Heterojunctions
Morphology
Photovoltaic effects
Rate constants
Charge recombinations
Donor-acceptor complex
Donor-acceptor heterojunctions
Excitation properties
Heterojunction interfaces
Interface configuration
Molecular configurations
Organic heterojunctions
An oxygen vacancy-rich two-dimensional Au/TiO2 hybrid for synergistically enhanced electrochemical N2 activation and reduction
期刊论文
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:33/0
  |  
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
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:9/0
  |  
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
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 ]
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  |  
浏览/下载:62/0
  |  
提交时间:2019/02/25
Polymeric carbon nitride
Hydrophilic
Electronic structural states
Coupling effects
Electrochemical performance
Multinomial Regression Model for the Evaluation of Multilevel Effects Caused by High-Power Electromagnetic Environments
期刊论文
IEEE Transactions on Electromagnetic Compatibility, 2019, 卷号: 61, 页码: 149-156
作者:
LI, Ke-Jie
;
Xie, Yan-Zhao
;
Chen, Yu-Hao
;
Hui, Yong-Chang
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/11/19
Computational modeling
Electromagnetic pulse
Electromagnetics
Electronic equipment
high-power electromagnetic (HPEM) environments
Maximum likelihood estimation
maximum likelihood estimation (MLE)
Military standards
multilevel effects evaluation
multinomial regression
Softmax model
Rationally designed hybrids of NiCo2O4 and polymeric carbon nitride as faradaic electrodes with enhanced electrochemical performance
期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 299, 页码: 717-726
作者:
Wang, Zhonghao
;
Hu, Xun
;
Wang, Lina
;
Jin, Bingjun
;
Zou, Guojun
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/11
Polymeric carbon nitride
Hydrophilic
Electronic structural states
Coupling effects
Electrochemical performance
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