Exploring the anchoring effect and catalytic mechanism of 3d transition metal phthalocyanine for S8/LiPSs: A density functional theory study

2021 ◽  
Vol 558 ◽  
pp. 149928
Author(s):  
Bin Yu ◽  
Qiu He ◽  
Yan Zhao
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Density Functional ◽  
Catalytic Mechanism ◽  
Density Functional Theory Study ◽  
Metal Phthalocyanine ◽  
Functional Theory ◽  
Anchoring Effect

scholarly journals Magnetism of 3d transition metal monolayers on Pd(001) surface: density functional theory study

2005 ◽  
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Author(s):  
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Tao Xiang-Ming ◽  
Chen Wen-Bin ◽  
Cai Jian-Qiu ◽  
Tan Ming-Qiu
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Surface Density ◽  
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Density Functional Theory Study ◽  
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Roar A. Olsen ◽  
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Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Mass Transport ◽  
Density Functional ◽  
Initial Mass ◽  
Density Functional Theory Study ◽  
Functional Theory
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