A theoretical study of 0D Ti2CO2/2D g-C3N4 Schottky-junction for photocatalytic hydrogen evolution

• Published in: Applied surface science Vol. 616; p. 156562
• Main Authors: Zheng, Yazhuo, Wang, Erpeng, Zhou, Jian, Sun, Zhimei
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.04.2023
• Subjects: First-principles calculation; Hydrogen evolution reaction; MXenes; Photocatalysis; Schottky junction; Schottky junction; Hydrogen evolution reaction; First-principles calculation; Photocatalysis; MXenes

[Display omitted] •Investigation of the structural and electronic properties of 0D Ti2CO2.•Metallic 0D Ti2CO2 serving as an electron acceptor.•Effective separation of photo-excited carriers in 0D Ti2CO2/2D g-C3N4 Schottky-junction.•High hydrogen evolution reaction activity at the metal sites at the...