Photocatalytic activity of MoS2 with water monolayers: Global optimization

Atomically thin MoS2 has emerged to be promising for photocatalytic water splitting benefiting from its suitable geometrical and electronic structure for light harvesting. A better understanding of how water molecules affect the band edge levels of MoS2 is critical for promoting the interfacial reac...

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Veröffentlicht in:	The Journal of chemical physics 2022-11, Vol.157 (18), p.184703-184703
1. Verfasser:	Zhang, Yachao
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalytic activity Clusters Conduction bands Electric dipoles Electronic structure Global optimization Hydrogen bonding Hydrogen evolution reactions Molecular dynamics Molybdenum disulfide Monolayers Photocatalysis Physics Water chemistry Water splitting
Online-Zugang:	Volltext
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