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

• DOI: 10.1039/c5ta06982c
• Publication Date: 2015-10-14T14:01:43Z
• Authors: Said Hamad; Norge C. Hernandez; Alex Aziz; A. Rabdel Ruiz-Sa...; Sofia Calero; Ricardo Grau-Crespo
• Keywords: Chemical Physics (physics.chem-ph); Condensed Matter - Materials Science; Physics - Chemical Physics; Materials Science (cond-mat.mtrl-sci); FOS: Physical sciences; 02 engineering and technology; 0210 nano-technology

Density functional theory calculations reveal that the electronic structure of a family of porphyrin-based metal–organic frameworks is suitable for the photocatalysis of water splitting and carbon dioxide reduction reactions.