Affiliation:
1. Universität Innsbruck Institut für Ionenphysik und Angewandte Physik Technikerstraße 25 6020 Innsbruck Austria
2. Department of Chemistry City University of Hong Kong 83 Tat Chee Avenue, Kowloon Tong Hong Kong SAR P. R. China
3. Institute of Research Management and Services (IPPP) Research and Innovation Management Complex University of Malaya Kuala Lumpur 50603 Malaysia
Abstract
AbstractMolecular processes behind hydrogen evolution reactions can be quite complex. In macroscopic electrochemical cells, it is extremely difficult to elucidate and understand their mechanism. Gas phase models, consisting of a metal ion and a small number of water molecules, provide unique opportunities to understand the reaction pathways in great detail. Hydrogen evolution in clusters consisting of a singly charged metal ion and one to on the order of 50 water molecules has been studied extensively for magnesium, aluminum and vanadium. Such clusters with around 10–20 water molecules are known to eliminate atomic or molecular hydrogen upon mild activation by room temperature black‐body radiation. Irradiation with ultraviolet light, by contrast, enables hydrogen evolution already with a single water molecule. Here, we analyze and compare the reaction mechanisms for hydrogen evolution on the ground state as well as excited state potential energy surfaces. Five distinct mechanisms for evolution of atomic or molecular hydrogen are identified and characterized.
Funder
Austrian Science Fund
Universität Innsbruck
Bundesministerium für Wissenschaft, Forschung und Wirtschaft
Subject
General Chemistry,Catalysis,Organic Chemistry