Prediction of Enhanced Catalytic Activity for Hydrogen Evolution Reaction in Janus Transition Metal Dichalcogenides

Nano Letters
Dequan ErVivek B Shenoy

Abstract

Significant efforts have been made in improving the hydrogen evolution reaction (HER) catalytic activity in transition metal dichalcogenides (TMDs), which are promising nonprecious catalysts. However, previous attempts have exploited possible solutions to activate the inert basal plane, with little improvement. Among them, the most successful modification requires a careful manipulation of vacancy concentration and strain simultaneously. To fully realize the promise of TMD catalysts for HER in an easier and more effective way, a new means in tuning the HER catalytic activity is needed. Herein, we propose exploiting the inherent structural asymmetry in the recently synthesized family of Janus TMDs as a new means to stimulate HER activity. We report a density functional theory (DFT) study of various Janus TMD monolayers as HER catalysts, and identify the WSSe system as a promising candidate, where the basal plane can be activated without large applied tensile strains and in the absence of significant density of vacancies. We predict that it is possible to realize a strain-free Janus TMD-based catalyst that can readily provide promising intrinsic HER catalytic performance. The calculated density of states and electronic structures...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
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Aug 18, 2004·Science·John A Turner
Apr 14, 2005·Journal of the American Chemical Society·Berit HinnemannJens K Nørskov
Oct 18, 2006·Proceedings of the National Academy of Sciences of the United States of America·Nathan S Lewis, Daniel G Nocera
Mar 17, 2010·Nano Letters·Andrea SplendianiFeng Wang
Jan 15, 2011·Physical Review Letters·Kin Fai MakTony F Heinz
Aug 17, 2012·Nature·Steven Chu, Arun Majumdar
Feb 8, 2013·Nano Letters·Desheng KongYi Cui
Jun 25, 2013·Journal of the American Chemical Society·Mark A LukowskiSong Jin
Nov 21, 2013·Nano Letters·Damien VoiryManish Chhowalla
May 29, 2014·Physical Chemistry Chemical Physics : PCCP·Charlie TsaiJens K Nørskov
Jul 30, 2014·Accounts of Chemical Research·Carlos G Morales-Guio, Xile Hu
Dec 5, 2014·Chemical Society Reviews·Haotian WangYi Cui
Aug 12, 2015·The Journal of Physical Chemistry Letters·Peter C K VesborgIb Chorkendorff
Sep 15, 2015·Nature Materials·Miguel Cabán-AcevedoSong Jin
May 17, 2017·Nature Nanotechnology·Ang-Yu LuLain-Jong Li
Aug 5, 2017·ACS Nano·Jing ZhangJun Lou
Nov 25, 2017·The Journal of Physical Chemistry Letters·Fengping LiYing Dai

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Citations

Jun 16, 2018·Physical Chemistry Chemical Physics : PCCP·A Kandemir, H Sahin
Dec 6, 2018·Physical Chemistry Chemical Physics : PCCP·Yuanyuan WangYing Dai
Jan 18, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Yuanyuan WangYing Dai
Jul 3, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Wenhui WanYong Liu
Dec 14, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Isao Ohkubo, Takao Mori
Jan 30, 2020·Physical Chemistry Chemical Physics : PCCP·Erik F ProcopioWanderlã L Scopel
Jun 17, 2020·Physical Chemistry Chemical Physics : PCCP·Rajneesh Chaurasiya, Ambesh Dixit
Jul 7, 2020·Advanced Materials·Han LiSefaattin Tongay
May 6, 2020·Nanoscale Research Letters·Jian GuoJunyong Kang
Jun 29, 2018·Physical Chemistry Chemical Physics : PCCP·Jun WangXiaoshuang Chen
Nov 5, 2020·Physical Chemistry Chemical Physics : PCCP·Bo ZhangXiaojun Wu
Nov 12, 2020·Advanced Materials·Dipesh B TrivediSefaattin Tongay
Jan 1, 2020·Journal of the American Chemical Society·Lin JuLiangzhi Kou
Feb 27, 2021·The Journal of Physical Chemistry Letters·Shuhui ZhangWei Wei
Sep 26, 2019·ACS Applied Materials & Interfaces·Jiang LuXue-Feng Yu
Mar 5, 2019·ACS Applied Materials & Interfaces·Eric SinghHari Singh Nalwa
Nov 16, 2019·ACS Applied Materials & Interfaces·Qian WuYing Dai
Jan 7, 2021·Nano Letters·Ting ZhengHui Zhao
Jun 30, 2019·The Journal of Physical Chemistry Letters·Jingyun JiaoZhimei Sun
Dec 17, 2021·Physical Chemistry Chemical Physics : PCCP·Yongzhen JiangYingxiang Cai

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