First‐Principles Study of 3d Transition Metal Atoms Doped Ni 13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction-Reference-Cited by-同舟云学术

First‐Principles Study of 3d Transition Metal Atoms Doped Ni 13 Cluster as Efficient Electrocatalyst for Nitrogen Reduction Reaction

Published:2021-11-07 Issue:12 Volume:4 Page:2100353
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Adv. Theory Simul.

Author:

Song Wei¹^ORCID,Xi Menghui²³,Guo Yongliang¹,He Chaozheng²³,Fu Ling⁴

Affiliation:

1. School of Science Henan Institute of Technology Xinxiang 453003 P. R. China

2. School of Materials Science and Chemical Engineering Xi'an Technological University Xi'an Shaanxi 710021 P. R. China

3. Institute of Environmental and Energy Catalysis School of Materials Science and Chemical Engineering Xi'an Technological University Xi'an 710021 P. R. China

4. College of Resources and Environmental Engineering Tianshui Normal University Tianshui 741001 P. R. China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Multidisciplinary,Modelling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202100353

Reference58 articles.

1. Greening Ammonia toward the Solar Ammonia Refinery

2. Beyond fossil fuel–driven nitrogen transformations

3. Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

4. Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

5. Probing the active sites of site-specific nitrogen doping in metal-free graphdiyne for electrochemical oxygen reduction reactions

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