Two-dimensional SiP, SiAs, GeP and GeAs as promising candidates for photocatalytic applications

verfasst von

Bohayra Mortazavi, Masoud Shahrokhi, Gianaurelio Cuniberti, Xiaoying Zhuang

Abstract

Group IV-V-type layered materials, such as SiP, SiAs, GeP and GeAs, are among the most attractive two-dimensional (2D) materials that exhibit anisotropic mechanical, optical and transport properties. In this short communication, we conducted density functional theory simulations to explore the prospect of SiP, SiAs, GeP and GeAs nanosheets for the water-splitting application. The semiconducting gaps of stress-free SiP, SiAs, GeP and GeAs monolayers were estimated to be 2.59, 2.34, 2.30 and 2.07 eV, respectively, which are within the desirable ranges for the water splitting. Moreover, all the considered nanomaterials were found to yield optical absorption in the visible spectrum, which is a critical feature for the employment in the solar water splitting systems. Our results furthermore confirm that the valence and conduction band edge positions in SiP, SiAs, GeP and GeAs monolayers also satisfy the requirements for the water splitting. Our results highlight the promising photocatalytic characteristics of SiP, SiAs, GeP and GeAs nanosheets for the application in solar water splitting and design of advanced hydrogen fuel cells.

Organisationseinheit(en)

Institut für Kontinuumsmechanik
PhoenixD: Simulation, Fabrikation und Anwendung optischer Systeme

Externe Organisation(en)

Razi University
Technische Universität Dresden

Typ

Artikel

Journal

COATINGS

Band

9

ISSN

2079-6412

Publikationsdatum

08.2019

Publikationsstatus

Veröffentlicht

Peer-reviewed

Ja

ASJC Scopus Sachgebiete

Oberflächen und Grenzflächen, Oberflächen, Beschichtungen und Folien, Werkstoffchemie

Ziele für nachhaltige Entwicklung

SDG 7 – Erschwingliche und saubere Energie

Elektronische Version(en)

https://doi.org/10.3390/coatings9080522 (Zugang: Offen)
https://doi.org/10.15488/9850 (Zugang: Offen)