Visible-Light Photocatalytic Overall Water Splitting on a B4C3/CxNy Z-Scheme Heterojunction: Role of Ultrafast Carrier Recombination-Transfer Kinetics

Herein, combining density functional theory (DFT) calculations with nonadiabatic molecular dynamics (NAMD), we built a computational framework to rationally screen from a series of 2D conjugated carbon nitrides (CNs) to match with B4C3, resulting in the excellent direct Z-scheme photocatalyst (B4C3/...

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Veröffentlicht in:	The journal of physical chemistry letters 2023-12, Vol.14 (50), p.11447-11456
Hauptverfasser:	Lin, Cun-Biao, Sheng, Yin-Xiao, Sun, Fu-Li, Chen, Wen-Xian, Zhuang, Gui-Lin
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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