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Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 23(5), p. 11894-11904, 2017

DOI: 10.1039/c7ta01278k

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Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions

Journal article published in 2017 by Alex Aziz ORCID, A. Rabdel Ruiz-Salvador ORCID, Norge C. Hernández ORCID, Sofia Calero ORCID, Said Hamad ORCID, Ricardo Grau-Crespo ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Computer simulations show that iron substitution at the octahedral centres of porphyrin-based metal–organic frameworks leads to optimal band structures for photocatalysis.