%0 Journal Article
%A Oshikiri, Mitsutake
%A Ye, Jinhua
%A Boero, Mauro
%D 2014
%T The Role
of Ni-Based Cocatalyst in Inhomogeneous RVO4 Photocatalyst
Systems (R = Y, Gd)
%U https://acs.figshare.com/articles/journal_contribution/The_Role_of_Ni_Based_Cocatalyst_in_Inhomogeneous_RVO_sub_4_sub_Photocatalyst_Systems_R_Y_Gd_/2281411
%R 10.1021/jp502099v.s001
%2 https://ndownloader.figshare.com/files/3917857
%K roadmap
%K oxygen generation
%K Role
%K experiment
%K role
%K surface Ni doping
%K photocatalyst
%K bulk
%K Cocatalyst
%K compound
%K Inhomogeneous RVO 4 Photocatalyst Systems
%K photocatalytic RVO 4 systems
%K analysis
%K simulation
%K cocatalyst
%K Gd
%K Ni dopant
%K variance
%K inspection
%X We
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.
%I ACS Publications