jp502099v_si_001.pdf (150.25 kB)
The Role of Ni-Based Cocatalyst in Inhomogeneous RVO4 Photocatalyst Systems (R = Y, Gd)
journal contribution
posted on 2014-06-19, 00:00 authored by Mitsutake Oshikiri, Jinhua Ye, Mauro BoeroWe
extend here our inspection, via first-principles dynamical simulations
supported by experiments, to the inhomogeneous photocatalytic RVO4 systems. At variance with our former paper, we limit the
present analysis to the most promising photocatalysts (R = Y, Gd)
for which the addition of a Ni-based cocatalyst provides the best
activities. The specific role of Ni-based cocatalysts is elucidated,
showing that a surface Ni doping, as opposed to a bulk one, is the
most efficient way to enhance the catalytic activities of these compounds.
This is a key step in the improvement of the photocatalysts and a
roadmap to optimize the amount of Ni dopant needed for both hydrogen
and oxygen generation.