Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction

Qinye Li; Siyao Qiu; Min Yan; Chuangwei Liu; Fengling Zhou; Baohua Jia; Lizhong He; Xiwang Zhang; Chenghua Sun

doi:10.1021/acs.langmuir.1c02358

Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction

Qinye Li, Siyao Qiu, Min Yan, Chuangwei Liu, Fengling Zhou, Baohua Jia, Lizhong He, Xiwang Zhang^*, Chenghua Sun^*

^*Corresponding author for this work

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

Graphene-based structures have been widely reported as promising metal-free catalysts for nitrogen reduction reaction. To explain the reactivity origin, various structures have been proposed and debated, including defects, functional groups, and doped heteroatoms. This computational work demonstrates that these structures may evolve from one to another under electrochemical conditions, generating weakly coordinated carbons, which have been identified as the active sites for N₂ adsorption and activation.

Original language	English
Journal	Langmuir
Volume	37
Issue number	50
Pages (from-to)	14657-14667
Number of pages	11
ISSN	0743-7463
DOIs	https://doi.org/10.1021/acs.langmuir.1c02358
Publication status	Published - 2021

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title = "Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction",

abstract = "Graphene-based structures have been widely reported as promising metal-free catalysts for nitrogen reduction reaction. To explain the reactivity origin, various structures have been proposed and debated, including defects, functional groups, and doped heteroatoms. This computational work demonstrates that these structures may evolve from one to another under electrochemical conditions, generating weakly coordinated carbons, which have been identified as the active sites for N2 adsorption and activation.",

author = "Qinye Li and Siyao Qiu and Min Yan and Chuangwei Liu and Fengling Zhou and Baohua Jia and Lizhong He and Xiwang Zhang and Chenghua Sun",

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T1 - Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction

AU - Li, Qinye

AU - Qiu, Siyao

AU - Yan, Min

AU - Liu, Chuangwei

AU - Zhou, Fengling

AU - Jia, Baohua

AU - He, Lizhong

AU - Zhang, Xiwang

AU - Sun, Chenghua

PY - 2021

Y1 - 2021

N2 - Graphene-based structures have been widely reported as promising metal-free catalysts for nitrogen reduction reaction. To explain the reactivity origin, various structures have been proposed and debated, including defects, functional groups, and doped heteroatoms. This computational work demonstrates that these structures may evolve from one to another under electrochemical conditions, generating weakly coordinated carbons, which have been identified as the active sites for N2 adsorption and activation.

AB - Graphene-based structures have been widely reported as promising metal-free catalysts for nitrogen reduction reaction. To explain the reactivity origin, various structures have been proposed and debated, including defects, functional groups, and doped heteroatoms. This computational work demonstrates that these structures may evolve from one to another under electrochemical conditions, generating weakly coordinated carbons, which have been identified as the active sites for N2 adsorption and activation.

U2 - 10.1021/acs.langmuir.1c02358

DO - 10.1021/acs.langmuir.1c02358

M3 - Journal article

C2 - 34874741

SN - 0743-7463

VL - 37

SP - 14657

EP - 14667

JO - Langmuir

JF - Langmuir

IS - 50

ER -

Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction

Abstract

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