Van der Waals heterostructures of P, BSe, and SiC monolayers

时间:2019-04-09作者:浏览量:523


Van der Waals heterostructures of P, BSe, and SiC monolayers

作者:Idrees, M (Idrees, M.)[1 ]; Din, HU (Din, H. U.)[1 ]; Khan, SA (Khan, S. A.)[1 ]; Ahmad, I (Ahmad, Iftikhar)[2 ]; Gan, LY (Gan, Li-Yong)[3 ]; Nguyen, CV (Nguyen, Chuong V.)[4 ]; Amin, B (Amin, B.)[1 ]

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JOURNAL OF APPLIED PHYSICS

卷:125

期:9

文献号:094301

DOI:10.1063/1.5082884

出版年:MAR 7 2019

文献类型:Article

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摘要

Electronic structure, optical, and photocatalytic properties of P, BSe, and SiC monolayers and their van der Waals heterostructures are investigated by (hybrid) first-principle calculations. The stability of the heterostructures and their corresponding induced-strain/unstrain mono layers are confirmed by the phonon spectra calculations. Similar to the corresponding parent monolayers, P-BSe (BSe-SiC) heterostructures are indirect type-II (type-I) bandgap semiconductors. A tensile strain of 10% (2%) transforms P-BSe (BSe-SiC) to type-I (type-II) direct bandgap nature. Interestingly, irrespective of the corresponding monolayers, the P-SiC heterostructure is a direct bandgap (type-II) semiconductor. The calculated electron and hole carrier mobilities of these heterostructures are in the range of 1.2 x 10(4) cm(2)/Vs to 68.56 x 10(4) cm(2)/Vs. Furthermore, absorption spectra are calculated to understand the optical behavior of these systems, where the lowest energy transitions are dominated by excitons. The valence and conduction band edges straddle the standard redox potentials in P-BSe, BSe-SiC, and P-SiC (strained) heterostructures, making them promising candidates for water splitting in the acidic solution. An induced compressive strain of 3.5% makes P suitable for water splitting at pH = 0.

作者信息

通讯作者地址:Amin, B (通讯作者)

显示更多Hazara Univ, Dept Phys, Mansehra 21300, Pakistan.
通讯作者地址:Nguyen, CV (通讯作者)
显示更多Duy Tan Univ, Inst Res & Dev, Da Nang, Vietnam.


地址:

显示更多[ 1 ] Hazara Univ, Dept Phys, Mansehra 21300, Pakistan
      [ 2 ] Abbottabad Univ Sci & Technol, Abbottabad 22010, Pakistan
显示更多[ 3 ] South China Univ Technol, Sch Mat Sci & Engn, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510641, Guangdong, Peoples R China
显示更多[ 4 ] Duy Tan Univ, Inst Res & Dev, Da Nang, Vietnam


电子邮件地址:chuongnguyen11@gmail.com; binukhn@gmail.com

基金资助致谢
基金资助机构授权号
Higher Education Commission of Pakistan 
5727/KPK/NRPLI/RD/HEC2016 
Vietnam National Foundation for Science and Technology Development (NAFOSTED) 
103.01-2016.07 
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出版商

AMER INST PHYSICS, 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA

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