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Hydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band
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Krüger, Kerstin, Wang, Yingqi, Tödter, Sophia, Debbeler, Felix, Matveenko, Anna, Hertl, Nils, Zhou, Xueyao, Jiang, Bin, Guo, Hua, Wodtke, Alec M. and Bünermann, Oliver (2023) Hydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band. Nature Chemistry, 15 . pp. 326-331. doi:10.1038/s41557-022-01085-x ISSN 1755-4330.
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Official URL: https://doi.org/10.1038/s41557-022-01085-x
Abstract
The Born-Oppenheimer approximation is the keystone of modern computational chemistry and there is wide interest in understanding under what conditions it remains valid. Hydrogen atom scattering from insulator, semi-metal and metal surfaces has helped provide such information. The approximation is adequate for insulators and for metals it fails, but not severely. Here we present hydrogen atom scattering from a semiconductor surface: Ge(111)c(2 × 8). Experiments show bimodal energy-loss distributions revealing two channels. Molecular dynamics trajectories within the Born-Oppenheimer approximation reproduce one channel quantitatively. The second channel transfers much more energy and is absent in simulations. It grows with hydrogen atom incidence energy and exhibits an energy-loss onset equal to the Ge surface bandgap. This leads us to conclude that hydrogen atom collisions at the surface of a semiconductor are capable of promoting electrons from the valence to the conduction band with high efficiency. Our current understanding fails to explain these observations. [Abstract copyright: © 2022. The Author(s).]
Item Type: | Journal Article | ||||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||||
SWORD Depositor: | Library Publications Router | ||||||||
Journal or Publication Title: | Nature Chemistry | ||||||||
Publisher: | Nature Publishing Group | ||||||||
ISSN: | 1755-4330 | ||||||||
Official Date: | March 2023 | ||||||||
Dates: |
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Volume: | 15 | ||||||||
Page Range: | pp. 326-331 | ||||||||
DOI: | 10.1038/s41557-022-01085-x | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 9 December 2022 | ||||||||
Date of first compliant Open Access: | 9 December 2022 |
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