4.7 Article

1D/2D van der Waals Heterojunctions Composed of Carbon Nanotubes and a GeSe Monolayer

Journal

NANOMATERIALS
Volume 11, Issue 6, Pages -

Publisher

MDPI
DOI: 10.3390/nano11061565

Keywords

germanium selenide; carbon nanotubes; heterojunction; photoelectric conversion efficiency

Funding

  1. National Natural Science Foundation of China [11471280, 11374251]
  2. Natural Science Foundation of Hunan Province, China [2019JJ40280]
  3. Research and Development Plan of key areas in Hunan Province [2019GK2101]

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Based on first-principles calculations, van der Waals heterojunctions consisting of CNTs and GeSe were proposed, showing different stabilities, metallic properties, and bandgap sizes for (n,0)CNT/GeSe. Additionally, (11,0)CNT/GeSe exhibited a high photoelectric conversion efficiency and potential applications in photoelectronics.
Based on first-principles calculations, we propose van der Waals (vdW) heterojunctions composed of one-dimensional carbon nanotubes (CNTs) and two-dimensional GeSe. Our calculations show that (n,0)CNT/GeSe (n = 5-11) heterojunctions are stable through weak vdW interactions. Among these heterojunctions, (n,0)CNT/GeSe (n = 5-7) exhibit metallic properties, while (n,0)CNT/GeSe (n = 8-11) have a small bandgap, lower than 0.8 eV. The absorption coefficient of (n,0)CNT/GeSe (n = 8-11) in the ultraviolet and infrared regions is around 10(5) cm(-1). Specifically, we found that (11,0)CNT/GeSe exhibits type-II band alignment and has a high photoelectric conversion efficiency of 17.29%, which suggests prospective applications in photoelectronics.

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