Structural and Electronic Effects at the Interface between Transition Metal Dichalcogenide Monolayers (MoS<sub>2</sub>, WSe<sub>2</sub>, and Their Lateral Heterojunctions) and Liquid Water

Structural and Electronic Effects at the Interface between Transition Metal Dichalcogenide Monolayers (MoS<sub>2</sub>, WSe<sub>2</sub>, and Their Lateral Heterojunctions) and Liquid Water

Transition metal dichalcogenides (TMDCs) can be used as optical energy conversion materials to catalyze the water splitting reaction. A good catalytical performance requires: (i) well-matched semiconductor bandgaps and water redox potential for fluent energy transfer; and (ii) optimal orientation of...

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Bibliographic Details
Main Authors: Zhen Cao, Moussab Harb, Sergey M. Kozlov, Luigi Cavallo
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:International Journal of Molecular Sciences
Subjects:
2D materials
transition metal dichalcogenides
water 2D materials interface
density functional theory
molecular dynamics
Online Access:https://www.mdpi.com/1422-0067/23/19/11926

Internet

https://www.mdpi.com/1422-0067/23/19/11926

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