Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C <sub>3</sub> N <sub>4</sub> ) for Nitrogen Electroreduction

Chen, Zhe; Zhao, Jingxiang; Cabrera, Carlos R; Chen, Zhongfang

doi:10.1002/smtd.201800368

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Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C ₃ N ₄ ) for Nitrogen Electroreduction

Author(s): Zhe Chen ¹ , Jingxiang Zhao ¹ , Carlos R. Cabrera ² , Zhongfang Chen ²

Publication date (Electronic): December 13 2018

Journal: Small Methods

Publisher: Wiley

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Most cited references 87

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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From ultrasoft pseudopotentials to the projector augmented-wave method

G Kresse, D Joubert (1999)

Physical Review B, 59(3), 1758-1775

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Zhongfang Chen: (View ORCID Profile)

Journal

Title: Small Methods

Abbreviated Title: Small Methods

Publisher: Wiley

ISSN (Print): 2366-9608

ISSN (Electronic): 2366-9608

Publication date Created: June 2019

Publication date (Electronic): December 13 2018

Publication date (Print): June 2019

Volume: 3

Issue: 6

Page: 1800368

Affiliations

[1 ]College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap Materials Ministry of Education Harbin Normal University Harbin 150025 China

[2 ]Department of Chemistry University of Puerto Rico Rio Piedras Campus San Juan PR 00931 USA

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DOI: 10.1002/smtd.201800368

SO-VID: bdc11ecb-a602-4b94-8052-64bcbbc86cfe

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Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C ₃ N ₄ ) for Nitrogen Electroreduction

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Atomic Force Microscopy

Most cited references 87

Generalized Gradient Approximation Made Simple

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

From ultrasoft pseudopotentials to the projector augmented-wave method

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Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C 3 N 4 ) for Nitrogen Electroreduction

Read this article at

Atomic Force Microscopy

Generalized Gradient Approximation Made Simple

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

From ultrasoft pseudopotentials to the projector augmented-wave method

Contributors

Journal

Affiliations

Article

History

Comment on this article

Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C ₃ N ₄ ) for Nitrogen Electroreduction