Materials Science and Chemistry

Principal Investigator: Gerd Steinle-Neumann , Bayerisches Geoinstitut, Universität Bayreuth

HPC Platform used: SuperMUC-NG

Local Project ID: pn34wi

Metal hydrides have become of great scientific interest as high-temperature superconducting materials at high pressure, with hydrogen-hydrogen interactions suspected as critical in this behavior. Here, nuclear magnetic resonance experiments and electronic structure calculations are combined to explore the compression behavior of FeH and Cu2H, and results show that within the hydrides a connected hydrogen network forms at significantly larger H-H distances than previously assumed. The network leads to an increased contribution of hydrogen electrons to metallic conduction, and seems to induce a significantly enhanced diffusion of protons.