Density Functional Theory Investigation on the Nitrogen Reduction Mechanism in Two-Dimensional Transition-Metal Boride with Ordered Metal Vacancies DOI
Linghuan Ma, Xianfei Chen,

Yi Huang

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(28), P. 14355 - 14367

Published: July 4, 2024

The creation of ordered collective vacancies in experiment proves challenging within a two-dimensional lattice, resulting limited understanding their impact on catalyst performance. Motivated by the successful experimental synthesis monolayer molybdenum borides with precisely metal [Zhou et al.

Language: Английский

High-Throughput screening of TM1TM2/N6–1 (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Mo) as effective electrocatalysts for nitrogen fixation DOI
Su Yao, Xinlu Cheng, Hong Zhang

et al.

Molecular Catalysis, Journal Year: 2024, Volume and Issue: 568, P. 114463 - 114463

Published: Aug. 26, 2024

Language: Английский

Citations

2
A high-throughput screening of catalyst for efficient nitrogen fixation: Transition metal single-atom anchored on an emerging synthesized biphenyl network DOI
Quan Zhang, Zikang Li,

Lingxiang Peng

et al.

Molecular Catalysis, Journal Year: 2024, Volume and Issue: 569, P. 114564 - 114564

Published: Sept. 21, 2024

Language: Английский

Citations

2
Design of novel transition metal doped pyrazine-modified graphyne as highly effective electrocatalysts for nitrogen fixation DOI
Cheng He, S. Q. Yan, Wenxue Zhang

et al.

Journal of environmental chemical engineering, Journal Year: 2023, Volume and Issue: 11(5), P. 111073 - 111073

Published: Sept. 22, 2023

Language: Английский

Citations

5
Theoretical study on electroreduction of CO2 to multi-carbon compounds catalyzed by Mo-based two-dimensional carbon-rich conjugated frameworks in tandem DOI

Jinping Du,

Ling Guo,

Xuan Niu

et al.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 38, P. 108106 - 108106

Published: Jan. 21, 2024

Language: Английский

Citations

1
Density Functional Theory Investigation on the Nitrogen Reduction Mechanism in Two-Dimensional Transition-Metal Boride with Ordered Metal Vacancies DOI
Linghuan Ma, Xianfei Chen,

Yi Huang

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(28), P. 14355 - 14367

Published: July 4, 2024

The creation of ordered collective vacancies in experiment proves challenging within a two-dimensional lattice, resulting limited understanding their impact on catalyst performance. Motivated by the successful experimental synthesis monolayer molybdenum borides with precisely metal [Zhou et al.

Language: Английский

Citations

1