Single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides as promising photocatalysts

Physical Chemistry Chemical Physics : PCCP
Yujie BaiBaolin Wang

Abstract

Searching for two-dimensional semiconductor materials that are suitable for visible-light photocatalytic water splitting provides a sustainable solution to deal with the future energy crisis and environmental problems. Herein, based on first-principles calculations, single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides are proposed as efficient photocatalysts for water splitting. Stability analyses show that the single-layer ZnMN2 zinc nitrides exhibit energetic and dynamical stability. The electronic properties reveal that all of the single-layer ZnMN2 zinc nitrides are semiconductors. Interestingly, single-layer ZnSnN2 is a direct band gap semiconductor with a desirable band gap (1.74 eV), and the optical adsorption spectrum confirms its optical absorption in the visible light region. The hydrogen evolution reaction (HER) calculations show that the catalytic activity for single-layer ZnMN2 (M = Ge, Sn) is better than that of single-layer ZnSiN2. Furthermore, the band gaps and band edge positions for the single-layer ZnMN2 zinc nitrides can be effectively tuned by biaxial strain. Especially, single-layer ZnGeN2 can be effectively tuned to match better with the redox potentials of water and enhance the light absorption in the visib...Continue Reading

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Dec 15, 1996·Physical Review. B, Condensed Matter·J P PerdewY Wang
Jun 15, 1992·Physical Review. B, Condensed Matter·J P Perdew, Y Wang
Jul 20, 2005·Proceedings of the National Academy of Sciences of the United States of America·K S NovoselovA K Geim
Aug 8, 2009·Physical Review Letters·S CahangirovS Ciraci
Jan 15, 2011·Physical Review Letters·Kin Fai MakTony F Heinz
May 17, 2012·Physical Review Letters·Patrick VogtGuy Le Lay
Sep 13, 2012·Nature Communications·Yongfu SunYi Xie
Nov 9, 2012·Accounts of Chemical Research·Adam W TsenJiwoong Park
Dec 19, 2012·Journal of the American Chemical Society·Xiaodong ZhangYi Xie
Jul 7, 2015·Small·Summayya KouserC N R Rao
Aug 6, 2015·Physical Chemistry Chemical Physics : PCCP·Caroline J RuppRogério J Baierle
Aug 12, 2015·The Journal of Physical Chemistry Letters·Arunima K SinghRichard G Hennig
Mar 11, 2016·Nanoscale·Bin LuoLianzhou Wang
Oct 26, 2016·Nature Materials·Zakaria Y Al BalushiJoshua A Robinson
Mar 10, 2018·The Journal of Physical Chemistry Letters·Arkamita BandyopadhyaySwapan K Pati

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Citations

Dec 29, 2020·ChemistryOpen·Alexander EgebergClaus Feldmann
Feb 7, 2021·Scientific Reports·Horácio Coelho-JúniorRubem L Sommer

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Methods Mentioned

BETA
chemical vapor deposition

Software Mentioned

HSE06
Vienna ab initio simulation package ( VASP )

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