The Role of Ni-Based Cocatalyst in Inhomogeneous RVO<sub>4</sub> Photocatalyst Systems (R = Y, Gd) Mitsutake Oshikiri Jinhua Ye Mauro Boero 10.1021/jp502099v.s001 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 We extend here our inspection, via first-principles dynamical simulations supported by experiments, to the inhomogeneous photocatalytic RVO<sub>4</sub> 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. 2014-06-19 00:00:00 roadmap oxygen generation Role experiment role surface Ni doping photocatalyst bulk Cocatalyst compound Inhomogeneous RVO 4 Photocatalyst Systems photocatalytic RVO 4 systems analysis simulation cocatalyst Gd Ni dopant variance inspection