A novel and functional single-layer sheet of ZnSe

Jia Zhou; Bobby G. Sumpter; Paul R.C. Kent; Jingsong Huang

doi:10.1021/am505655m

A novel and functional single-layer sheet of ZnSe

Jia Zhou, Bobby G. Sumpter, Paul R.C. Kent, Jingsong Huang

Research output: Contribution to journal › Article › peer-review

43 Scopus citations

Abstract

The recently synthesized freestanding four-atom-thick double-layer sheet of ZnSe holds great promise as an ultraflexible and transparent photoelectrode material for solar water splitting. In this work, we report theoretical studies on a novel three-atom-thick single-layer sheet of ZnSe that demonstrates a strong quantum confinement effect by exhibiting a large enhancement of the band gap (2.0 eV) relative to the zinc blende (ZB) bulk phase. Theoretical optical absorbance shows that the largest absorption of this ultrathin single-layer sheet of ZnSe occurs at a wavelength similar to its four-atom-thick double-layer counterpart, suggesting a comparable behavior on incident photon-to-current conversion efficiency for solar water splitting, among a wealth of potential applications. The results presented herein for ZnSe may be generalized to other group II-VI analogues.

Original language	English
Pages (from-to)	1458-1464
Number of pages	7
Journal	ACS Applied Materials and Interfaces
Volume	7
Issue number	3
DOIs	https://doi.org/10.1021/am505655m
State	Published - Jan 28 2015

Keywords

BSE
DFT
GW approximation
Two-dimensional materials
photovoltaic

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10.1021/am505655m

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title = "A novel and functional single-layer sheet of ZnSe",

abstract = "The recently synthesized freestanding four-atom-thick double-layer sheet of ZnSe holds great promise as an ultraflexible and transparent photoelectrode material for solar water splitting. In this work, we report theoretical studies on a novel three-atom-thick single-layer sheet of ZnSe that demonstrates a strong quantum confinement effect by exhibiting a large enhancement of the band gap (2.0 eV) relative to the zinc blende (ZB) bulk phase. Theoretical optical absorbance shows that the largest absorption of this ultrathin single-layer sheet of ZnSe occurs at a wavelength similar to its four-atom-thick double-layer counterpart, suggesting a comparable behavior on incident photon-to-current conversion efficiency for solar water splitting, among a wealth of potential applications. The results presented herein for ZnSe may be generalized to other group II-VI analogues.",

keywords = "BSE, DFT, GW approximation, Two-dimensional materials, photovoltaic",

author = "Jia Zhou and Sumpter, {Bobby G.} and Kent, {Paul R.C.} and Jingsong Huang",

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AU - Zhou, Jia

AU - Sumpter, Bobby G.

AU - Kent, Paul R.C.

AU - Huang, Jingsong

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AB - The recently synthesized freestanding four-atom-thick double-layer sheet of ZnSe holds great promise as an ultraflexible and transparent photoelectrode material for solar water splitting. In this work, we report theoretical studies on a novel three-atom-thick single-layer sheet of ZnSe that demonstrates a strong quantum confinement effect by exhibiting a large enhancement of the band gap (2.0 eV) relative to the zinc blende (ZB) bulk phase. Theoretical optical absorbance shows that the largest absorption of this ultrathin single-layer sheet of ZnSe occurs at a wavelength similar to its four-atom-thick double-layer counterpart, suggesting a comparable behavior on incident photon-to-current conversion efficiency for solar water splitting, among a wealth of potential applications. The results presented herein for ZnSe may be generalized to other group II-VI analogues.

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KW - photovoltaic

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A novel and functional single-layer sheet of ZnSe

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Keywords

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