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  • 标题:First-principles based simulations of electronic transmission in ReS 2/WSe 2 and ReS 2/MoSe 2 type-II vdW heterointerfaces
  • 本地全文:下载
  • 作者:Dipankar Saha ; Saurabh Lodha
  • 期刊名称:Scientific Reports
  • 电子版ISSN:2045-2322
  • 出版年度:2021
  • 卷号:11
  • DOI:10.1038/s41598-021-02704-2
  • 语种:English
  • 出版社:Springer Nature
  • 摘要:Electronic transmission in monolayer ReS2 and ReS2 based van der Waals (vdW) heterointerfaces are studied here. Since ReS2/WSe2 and ReS2/MoSe2 type-II vdW heterostructures are suitable for near infrared (NIR)/short-wave infrared (SWIR) photodetection, the role of interlayer coupling at the heterointerfaces is examined in this work. Besides, a detailed theoretical study is presented employing density functional theory (DFT) and nonequilibrium Green’s function (NEGF) combination to analyse the transmission spectra of the two-port devices with ReS2/WSe2 and ReS2/MoSe2 channels and compare the near-equilibrium conductance values. Single layer distorted 1T ReS2 exhibits formation of parallel chains of ‘Re’-‘Re’ bonds, leading to in-plane anisotropy. Owing to this structural anisotropy, the charge carrier transport is very much orientation dependent in ReS2. Therefore, this work is further extended to investigate the role of clusterized ‘Re’ atoms in electronic transmission.
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