Renewable sources of energy are increasingly needed and solar production of hydrogen fuel from water offers significant potential to contribute to these needs.  Bismuth vanadate (BiVO4) has received much interest as a promising visible-light-active photocatalyst for water splitting and pollutant decomposition. However, some fundamental aspects of its photocatalysis remain still unclear, including phase-dependent activity, doping effect, and surface reactivity. For instance, the monoclinic phase exhibits much higher activity than the tetragonal phase, and also W, Mo or P-doped BiVO4 has been experimentally found to show a significant increase in the photooxidation current of water. Furthermore, the surface properties are yet largely unexplored.  This talk will focus on discussing recent progress in understanding the photocatlytic properties of BiVO2 mainly from first principles quantum calculations, particularly the effects of structural phase, impurity doping, and surface structure.  The improved understanding may offer important guidance for the rational design of photocatlytic materials.

Recent progress in understanding the photocatalytic properties of bismuth vanadate

248th National Meeting (2014)

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