Stability of sp3 carbons in hydrogenated graphene quantum dots and their electronic and optical properties studied using density functional theory

Rano, N.A. and Martsinovich, N. orcid.org/0000-0001-9226-8175 (2025) Stability of sp3 carbons in hydrogenated graphene quantum dots and their electronic and optical properties studied using density functional theory. The Journal of Physical Chemistry A, 129 (17). ISSN 1089-5639

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Item Type: Article
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© 2025 The Authors. This is an Open Access article distributed under the terms of the Creative Commons Attribution Licence (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Keywords: Chemical Structure; Electrical Conductivity; Energy; Quantum mechanics; Stability
Dates:
  • Accepted: 8 April 2025
  • Published (online): 17 April 2025
  • Published: 1 May 2025
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
The University of Sheffield > Faculty of Science (Sheffield) > School of Mathematical and Physical Sciences
Depositing User: Symplectic Sheffield
Date Deposited: 08 May 2025 11:18
Last Modified: 08 May 2025 11:18
Published Version: https://doi.org/10.1021/acs.jpca.4c07825
Status: Published
Publisher: American Chemical Society (ACS)
Refereed: Yes
Identification Number: 10.1021/acs.jpca.4c07825
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