Theoretical study of the nitrogen reduction reaction catalyzed by a B-doped MoO<sub>2</sub> six-membered ring-Reference-Cited by-同舟云学术

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Theoretical study of the nitrogen reduction reaction catalyzed by a B-doped MoO₂ six-membered ring

Published:2024 Issue:17 Volume:26 Page:13405-13411
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chen Shaona¹²^ORCID,Fang Demiao²,Zhou Zhangyu²,Dai Zhongxu²,Shi Jinjin¹

Affiliation:

1. School of Transportation, Fujian University of Technology, No. 3, Xueyuan Road, 350000 Fuzhou City, Fujian, China

2. College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, China Three Gorges University, Yichang, Hubei 443002, China

Abstract

B2/MoO2 achieves a very low overpotential of −0.18 V and fast NRR kinetics through an enzymatic mechanism by using DFT calculations.

Funder

Fujian Provincial Department of Science and Technology

Fujian University of Technology

Department of Education, Fujian Province

Higher Education Discipline Innovation Project

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05342C

Reference34 articles.

1. Nitrogen Cycle Electrocatalysis

2. Beyond fossil fuel–driven nitrogen transformations

3. Light-driven dinitrogen reduction catalyzed by a CdS:nitrogenase MoFe protein biohybrid

4. Catalytic Synthesis of Ammonia—A “Never-Ending Story”?

5. How to explore ambient electrocatalytic nitrogen reduction reliably and insightfully

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