Physical chemistry chemical physics : PCCP
Stacking-switching of silicon-based two-dimensional diamane structures to enhance photocatalytic water splitting performance.
Min Tao, Chu-Chu Liu, Pan Ma, Xiao Shang, Hai-Bin Du, Xian-Yu Hu, Lu-Chao Du, Fu-Chun Liu
Published: 202610.1039/d5cp04059k
Abstract
Through first-principles calculations, we design and screen a series of Janus silicon-based two-dimensional (2D) diamane Si4HX (X = F, Cl and Br) structures as promising piezoelectric photocatalysts for water splitting. The transitions from the initi…
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