A microkinetic study of CO2 hydrogenation to methanol on Pd1–Cu(111) and Pd1–Ag(111) catalysts: a DFT analysis-Reference-Cited by-同舟云学术

A microkinetic study of CO₂ hydrogenation to methanol on Pd₁–Cu(111) and Pd₁–Ag(111) catalysts: a DFT analysis

Published:2024 Issue:14 Volume:26 Page:10622-10632
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ibrahim Abdulrauf Onimisi¹²³^ORCID,Wan Daud Wan Mohd Ashri¹²,Abdul Patah Muhamad Fazly¹²,Halilu Ahmed¹²,Juan Joon Ching⁴^ORCID,Tanimu Gazali⁵

Affiliation:

1. Department of Chemical Engineering, University of Malaya, Kuala Lumpur, Malaysia

2. Sustainable Process Engineering Centre (SPEC), University of Malaya, Kuala Lumpur, Malaysia

3. Department of Chemical Engineering, Ahmadu Bello University, Zaria 810222, Nigeria

4. Nanotechnology & Catalysis Research Centre, Institute for Advanced Studies, University of Malaya, Kuala Lumpur, Malaysia

5. Center for Refining & Advanced Chemicals, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia

Abstract

We explored the complex reaction routes of hydrogenating CO2 to CH3OH on palladium single-atom alloy catalysts using microkinetic reaction modelling and mechanisms.

Funder

Petroleum Technology Development Fund

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP00070F

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5. Influence of ZrO2 Structure and Copper Electronic State on Activity of Cu/ZrO2 Catalysts in Methanol Synthesis from CO2