期刊
Solar RRL
标题
Density-Functional Theory Studies on Photocatalysis and Photoelectrocatalysis: Challenges and Opportunities
作者
Chun-Han Lin, Jyoti Rohilla, Hsuan-Hung Kuo, Chun-Yi Chen, Tso-Fu Mark Chang, Masato Sone, Pravin P. Ingole, Yu-Chieh Lo, Yung-Jung Hsu
摘要
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.
原文链接
