Journal
NANOMATERIALS
Volume 11, Issue 6, Pages -Publisher
MDPI
DOI: 10.3390/nano11061565
Keywords
germanium selenide; carbon nanotubes; heterojunction; photoelectric conversion efficiency
Categories
Funding
- National Natural Science Foundation of China [11471280, 11374251]
- Natural Science Foundation of Hunan Province, China [2019JJ40280]
- 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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