Microscopic Diffusion of Atomic Hydrogen and Water in HER Catalyst MoS₂ Revealed by Neutron Scattering.

ABSTRACT: The design of novel and abundant catalytic materials for electrolysis is crucial for reaching carbon neutrality of the global energy system. A deliberate approach to catalyst design requires both theoretical and experimental knowledge not only of the target reactions but also of the supplementary mechanisms affecting the catalytic activity. In this study, we focus on the interplay of hydrogen mobility and reactivity in the hydrogen evolution reaction catalyst MoS₂. We have studied the diffusion of atomic hydrogen and water by means of neutron and X-ray photoelectron spectroscopies combined with classical molecular dynamics simulations. The observed interaction of water with single-crystal MoS₂ shows the possibility of intercalation within volume defects, where it can

SUBMITTER: Kuznetsov V 

PROVIDER: S-EPMC9806838 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature