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Transition metal doping effects on the structural, mechanical, electronic, and optical properties of α-NiS for photocatalysis applications via DFT + U insights

Crossref DOI link: https://doi.org/10.1007/s00339-025-08942-9

Published Online: 2025-10-16

Published Print: 2025-11

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Geldasa, Fikadu Takele https://orcid.org/0000-0003-4016-7350
Dejene, Francis Birhanu
Funding

Funding for this research was provided by:

Walter Sisulu University
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Text and Data Mining valid from 2025-10-16

Version of Record valid from 2025-10-16
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Article History

Received: 26 May 2025

Accepted: 8 September 2025

First Online: 16 October 2025

Declarations

:

: The authors declare that this study does not involve any experiments on humans or animals. All data used are generated through theoretical calculations and simulations using density functional theory (DFT), and no ethical approval was required. The authors affirm that the manuscript is original, has not been published elsewhere. All authors have read and agreed to the submitted version of the manuscript.

: The authors declare that they have no conflicts of interest.

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