scholarly journals The Combined Role of Faceting and Heteroatom Doping for Hydrogen Evolution on a WC Electrocatalyst in Aqueous Solution: A Density Functional Theory Study

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Bo-Ying Huang ◽  
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Jia-Wei Liao ◽  
Wen-Jin Yin ◽  
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Keyword(s):  
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Volodymyr Golubnychiy ◽  
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Aqueous Solution ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
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Density Functional Theory Study of the Role of an Carbon–Oxygen Single Bond Group in the NO–Char Reaction

2018 ◽  
Vol 32 (7) ◽  
pp. 7734-7744 ◽  
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Wenli Song ◽  
Chuigang Fan ◽  
Songgeng Li ◽  
Peter Glarborg ◽  
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Density Functional Theory ◽  
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Density Functional Theory Study ◽  
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The role of catalysts in the decomposition of phenoxy compounds in coal: A density functional theory study

2018 ◽  
Vol 428 ◽  
pp. 541-548 ◽  
Author(s):  
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Ming-Fei Wang ◽  
Zhi-Hua Gao ◽  
Zhi-Jun Zuo ◽  
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Density Functional Theory ◽  
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Density Functional Theory Study ◽  
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