Dry Reforming of Methane on Cobalt Catalysts: DFT-Based Insights into Carbon Deposition Versus Removal-Reference-Cited by-同舟云学术

Dry Reforming of Methane on Cobalt Catalysts: DFT-Based Insights into Carbon Deposition Versus Removal

Published:2021-10-04 Issue:40 Volume:125 Page:21902-21913
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Wong YeeJie¹²^ORCID,Halim Harry H.¹^ORCID,Khairudin N. Fazila²,Pham Thanh Ngoc¹^ORCID,Putra Septia E. M.¹^ORCID,Hamamoto Yuji¹³,Inagaki Kouji¹³,Hamada Ikutaro¹³^ORCID,Mohamed Abdul Rahman²,Morikawa Yoshitada¹³⁴^ORCID

Affiliation:

1. Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Osaka, Suita 565-0871, Japan

2. Low Carbon Economy (LCE) Research Group, School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, Nibong Tebal 14300, Pulau Pinang, Malaysia

3. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Goryo-Ohara, Nishikyo-ku, Kyoto 615-8245, Japan

4. Research Center for Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan

Funder

Osaka University

Ministry of Education, Culture, Sports, Science and Technology

Ministry of Higher Education, Malaysia

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Japan Science and Technology Agency

Universiti Sains Malaysia

Marubun Research Promotion Foundation

Professional Development Consortium for Computational Materials Scientists - Innovative Professional Development Program

Japan-ASEAN Science, Technology and Innovation Platform

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c04819

Reference77 articles.

1. Activity and coke formation of nickel and nickel carbide in dry reforming: A deactivation scheme from density functional theory

2. Density Functional Theory-Assisted Microkinetic Analysis of Methane Dry Reforming on Ni Catalyst

3. DFT studies of dry reforming of methane on Ni catalyst

4. DFT study on dry reforming of methane over Ni2Fe overlayer of Ni(1 1 1) surface

5. Dry reforming of methane over the cobalt catalyst: Theoretical insights into the reaction kinetics and mechanism for catalyst deactivation

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