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Stabilizing the dopability of chalcogens in BaZrO3 through TiZr co-doping and its impact on the opto-electronic and photocatalytic properties: A meta-GGA level DFT study
Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistan.ORCID iD: 0009-0001-9937-6678
Computational Materials Modeling Laboratory, Department of Physics, Government College University, Faisalabad, 38040, Faisalabad, Pakistan; Department of Chemical Engineering, McGill University, 845 Sherbrooke St. W, Montreal, Quebec, Canada.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0002-4526-4144
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0003-3455-2877
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2024 (English)In: International journal of hydrogen energy, ISSN 0360-3199, E-ISSN 1879-3487, Vol. 58, p. 409-415Article in journal (Refereed) Published
Place, publisher, year, edition, pages
Elsevier, 2024. Vol. 58, p. 409-415
National Category
Condensed Matter Physics Theoretical Chemistry
Research subject
Applied Physics
Identifiers
URN: urn:nbn:se:ltu:diva-104171DOI: 10.1016/j.ijhydene.2024.01.202ISI: 001171245300001Scopus ID: 2-s2.0-85183059083OAI: oai:DiVA.org:ltu-104171DiVA, id: diva2:1834681
Funder
Knut and Alice Wallenberg FoundationThe Kempe FoundationsSwedish National Infrastructure for Computing (SNIC)Swedish Research Council, 2018–05973
Note

Validerad;2024;Nivå 2;2024-03-26 (signyg);

Funder: Higher Education Commission of Pakistan for National Research Program for Universities (7107/Punjab/NRPU/R&D/HEC/2017); Computational Materials Modeling Laboratory of the Department of Physics, Government College University, Faisalabad

Available from: 2024-02-05 Created: 2024-02-05 Last updated: 2024-03-26Bibliographically approved

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Abbas, GhulamLarsson, J. AndreasAlay-e-Abbas, Syed Muhammad

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