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- Title
Density‐Functional Theory Studies on Photocatalysis and Photoelectrocatalysis: Challenges and Opportunities.
- Authors
Lin, Chun‐Han; Rohilla, Jyoti; Kuo, Hsuan‐Hung; Chen, Chun‐Yi; Mark Chang, Tso‐Fu; Sone, Masato; Ingole, Pravin P.; Lo, Yu‐Chieh; Hsu, Yung‐Jung
- Abstract
Density‐Functional Theory In article number 2300948, Lo, Hsu, and co‐workers highlight key photocatalytic and photoelectrocatalytic applications, where density‐functional theory (DFT) has been instrumental in optimizing materials designs and reaction pathways. They delve into the challenges and prospects associated with the adaption of DFT calculations, with the aim of providing researchers with a comprehensive overview for expanding the scope and accuracy of DFT in photocatalyst and photoelectrode modeling.
- Publication
Solar RRL, 2024, Vol 8, Issue 9, p1
- ISSN
2367-198X
- Publication type
Article
- DOI
10.1002/solr.202300948