Optimizing the NRR activity of single and double boron atom catalysts using a suitable support: a first principles investigation-Reference-Cited by-同舟云学术

Optimizing the NRR activity of single and double boron atom catalysts using a suitable support: a first principles investigation

Published:2023 Issue:33 Volume:25 Page:22275-22285
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rasool Anjumun¹,Anis Insha¹,Bhat Sajad Ahmad¹,Dar Manzoor Ahmad¹^ORCID

Affiliation:

1. Department of Chemistry, Islamic University of Science and Technology, Awantipora, Jammu and Kashmir-192122, India

Abstract

Density functional theory calculations are carried to investigate the N2 reduction activity of ten different model catalysts obtained by supporting single and double boron atoms on five different substrates.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02358C

Reference66 articles.

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4. Transformation of the Nitrogen Cycle: Recent Trends, Questions, and Potential Solutions

5. Ammonia-fed fuel cells: a comprehensive review

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