Physical chemistry chemical physics : PCCP
Surface termination-dependent Sc2C MXenes: a first-principles study on photocatalytic water splitting.
Mingzhu Liu, Tengfei Wang, Xiaohong Li, Xuehai Ju
Published: 202610.1039/d5cp04000k
Abstract
The electronic properties, effective masses, and photocatalytic performances for water splitting of Sc2CT2 and Janus Sc2CXT (X, T = F, O, H, and OH) MXenes were systematically investigated using density functional theory (DFT). Our calculations show…
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