Bio-mimetic self-assembled computationally designed catalysts of Mo and W for hydrogenation of CO2/dehydrogenation of HCOOH inspired by the active site of formate dehydrogenase-Reference-Cited by-同舟云学术

Bio-mimetic self-assembled computationally designed catalysts of Mo and W for hydrogenation of CO2/dehydrogenation of HCOOH inspired by the active site of formate dehydrogenase

Published:2019 Issue:38 Volume:21 Page:21370-21380
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shiekh Bilal Ahmad¹²³⁴⁵^ORCID,Kaur Damanjit¹²³⁴⁵,Kumar Sourav¹²³⁴⁵

Affiliation:

1. Department of Chemistry

2. UGC Sponsored Centre of Advanced Studies-II

3. Guru Nanak Dev University

4. Amritsar-143005

5. India

Abstract

Bio-inspired Mo and W based catalysts have been designed for catalytic conversion of CO₂ to HCOOH or vice versa by stepwise assessment of the chemical environment around the metal center using state-of-the-art density functional theory.

Funder

University Grants Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03406D

Reference71 articles.

1. Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation

2. Catalysis Research of Relevance to Carbon Management: Progress, Challenges, and Opportunities

3. Catalysis for the Valorization of Exhaust Carbon: from CO2 to Chemicals, Materials, and Fuels. Technological Use of CO2

4. Electrocatalytic and homogeneous approaches to conversion of CO2to liquid fuels

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