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Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study

Crossref DOI link: https://doi.org/10.1007/s00894-024-06173-y

Published Online: 2024-10-22

Published Print: 2024-11

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

Authors

Deraet, Xavier https://orcid.org/0000-0002-5296-857X
Çilesiz, Umut https://orcid.org/0000-0003-4409-1162
Aviyente, Viktorya https://orcid.org/0000-0001-9430-4096
De Proft, Frank https://orcid.org/0000-0003-4900-7513
Funding

Funding for this research was provided by:

Fonds Wetenschappelijk Onderzoek (G024019N, G024019N)

Vrije Universiteit Brussel (Strategic research program 9 and 73, Strategic research program 9 and 73)

Erasmus+ (2021-1-TR01-KA131-HED-000005557, 2021-1-TR01-KA131-HED-000005557, 2021-1-TR01-KA131-HED-000005557)
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Text and Data Mining valid from 2024-10-22

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Article History

Received: 10 July 2024

Accepted: 8 October 2024

First Online: 22 October 2024

Declaration

:

: The authors declare no competing interests.

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