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