REGULAR ARTICLE: Nitrogen and Hydrogen Adsorption on the Pyrite FeS2 (100) surface: First-Principles Study

Xiaolong Hu

doi:10.4208/cicc.2017.v5.n3.3

REGULAR ARTICLE: Nitrogen and Hydrogen Adsorption on the Pyrite FeS2 (100) surface: First-Principles Study

Communications in Computational Chemistry ◽

10.4208/cicc.2017.v5.n3.3 ◽

2017 ◽

Vol 5 (3) ◽

pp. 78-85

Author(s):

Xiaolong Hu

Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Metal Doped

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Author(s):

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Keyword(s):

Graphene Oxide ◽

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study ◽

Doped Graphene ◽

Mg Doped

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

Topological Defects ◽

First Principles Study ◽

And Storage

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Keyword(s):

Sulfur Dioxide ◽

First Principles ◽

Hydrogen Adsorption ◽

First Principles Study

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Keyword(s):

Transition Metal ◽

Spin State ◽

First Principles ◽

Molecular Hydrogen ◽

Hydrogen Adsorption ◽

Metal Organic Frameworks ◽

Metal Centers ◽

First Principles Study ◽

Metal Organic

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Keyword(s):

Transition Metal ◽

First Principles ◽

Hydrogen Adsorption ◽

Metal Dispersion ◽

First Principles Study ◽

Defective Graphene

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Keyword(s):

First Principles ◽

Hydrogen Adsorption ◽

Vacancy Defects ◽

First Principles Study ◽

And Storage

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