Electronic structure of porphyrin-based metal-organic frameworks and\n their suitability for solar fuel production photocatalysis

2015/10/12 by Said Hamad, Hamad, Said, Norge Cruz Hernández +9
Chemistry · Energy · Engineering · Medicine · #Advanced Photocatalysis Techniques #Catalysis and Hydrodesulfurization Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Metal complexes synthesis and properties #Metal-Organic Frameworks: Synthesis and Applications #TiO2 Photocatalysis and Solar Cells

paper · pdf · doi:10.48550/arxiv.1510.03260

openalex publication_date 2015/10/12 · openalex created_date 2022/10/03 · openalex updated_date 2026/07/28

Abstract

Metal-organic frameworks (MOFs) can be exceptionally good catalytic materials\nthanks to the presence of active metal centres and a porous structure that is\nadvantageous for molecular adsorption and confinement. We present here a\nfirst-principles investigation of the electronic structure of a family of MOFs\nbased on porphyrins connected through phenyl-carboxyl ligands and AlOH species,\nin order to assess their suitability for the photocatalysis of fuel production\nreactions using sunlight.\n

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