Email this article Electronic Structure of WS2 Nanotubes—Potential Catalysts of Water Photolysis
- Authors: D’yachkov E.P.1, D’yachkov P.N.1
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Affiliations:
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Issue: Vol 64, No 9 (2019)
- Pages: 1152-1155
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/169487
- DOI: https://doi.org/10.1134/S0036023619090080
- ID: 169487
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Abstract
The band structures of (15, 10), (21, 0), (16, 8), (18, 6), and (12, 12) WS2 nanotubes of various chirality and diameter have been calculated by the linearized augmented cylindrical wave method in order to elucidate the extent to which they meet the requirement for sunlight water splitting catalysts. It is expected that the introduction of impurities and structural defects should increase the activity of the photocatalyst as compared with perfect tubes.
About the authors
E. P. D’yachkov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Author for correspondence.
Email: evg_dyachkov@mail.ru
Russian Federation, Moscow, 119991
P. N. D’yachkov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: evg_dyachkov@mail.ru
Russian Federation, Moscow, 119991
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