Computational modeling guided design of metal–organic frameworks for photocatalysis

Computational modeling guided design of metal–organic frameworks for photocatalysis – a mini review

Published:2023 Issue:23 Volume:13 Page:6583-6603
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Yu Sheng¹^ORCID,Wang Qiaomin²³,Wang Jinglei¹,Fang Cong⁴,Li Yuanzhe²^ORCID,Ge Jiankai⁵^ORCID,Fang Baizeng⁶^ORCID

Affiliation:

1. Department of Chemistry, Washington State University, Pullman, Washington, 99164, USA

2. School of Materials Science and Engineering, Nanyang Technological University, Singapore, 639798, Singapore

3. Department of Chemistry, University College London, WC1H 0AJ, UK

4. School of Design, The Hong Kong Polytechnic University, Hong Kong Special Administrative Region, Hong Kong

5. Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, USA

6. Department of Energy Storage Science and Technology, University of Science and Technology Beijing, 30 College Road, Beijing 100083, China

Abstract

Metal–organic frameworks (MOFs) are porous materials used in photocatalysis. Their structure is optimized using computational modeling. This review emphasizes the role of computational design in enhancing MOF efficiency.

Funder

Ministry of Education - Singapore

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CY/D3CY00862B

Reference148 articles.

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