Carbon nitrides (CNs), synthesised from melamine at temperatures 400 ◦C or 525 ◦C with their derivatives prepared by acidic protonation and oxidation using H2SO4 are tested as co-catalysts for oxygen evolution re- action (OER) modifying anodic Titania nanotubes (TiO2–NTs) surface. Materials exhibit crystalline structures and contain tri-s-heptazine rings with different terminal groups (–NH2, –NHOH, –NO2, –OH, =O), which are important...

The catalytic activities of high-spin small Fe(III) oxides have been investigated for efficient hydrogen production through ammonia decomposition, using the artificial force induced reaction method within the framework of density functional theory with the B3LYP hybrid exchange–correlation functional. Our results reveal that the adsorption free energy of NH3 on (Fe2O3 )n (n = 1–4) decreases with increasing cluster size up to n...