@article{0160dfa796cc4771abebc7d53d95866c,
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",
note = "Publisher Copyright: {\textcopyright} 2014 American Chemical Society.",
year = "2015",
month = jan,
day = "28",
doi = "10.1021/am505655m",
language = "English",
volume = "7",
pages = "1458--1464",
journal = "ACS Applied Materials and Interfaces",
issn = "1944-8244",
publisher = "American Chemical Society",
number = "3",
}
