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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：15/0 \| 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：28/0 \| 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 收藏 \| 浏览/下载：73/0 \| 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：26/0 \| 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：8/0 \| 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 ] 收藏 \| 浏览/下载：60/0 \| 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 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/12/11 Polymeric carbon nitride Hydrophilic Electronic structural states Coupling effects Electrochemical performance

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