Atomic Ru coordinated by channel ammonia in V-doped tungsten bronze for highly efficient hydrogen-evolution reaction

Regulation of the atomic distribution is crucial for the development of atomically dispersed electrocatalysts. In this study, atomic Ru coordinated by channel ammonia in V-doped tungsten bronze (Ru/V-NHWO, Ru 0.44 wt%, V 0.45 wt%) was used as a high-performance catalyst for the hydrogen evolution reaction (HER), demonstrating remarkable mass activity in a wide pH range. Atomic Ru with a regulated spatial distribution and electronic structure was achieved owing to its unique coordination with the ammonia species in the hexagonal channels of V-NHWO. V doping in NHWO led to enhanced intrinsic activity and conductivity. Theoretical calculations revealed that the multi-channel, vertically integrated Ru sites in the V-doped channels, as well as the coexisting Ru sites without multichannels or V-doping, improved the free energy of water dissociation and hydrogen sorption, which boosted the HER activity. Our study paves a new way for constructing atomically dispersed materials with a regulated spatial distribution for diverse applications. (c) 2023, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.