Synthesis of Gold Hydride at High Pressure and High Temperature

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Frost, Mungo ; Abraham, Kilian ; Goncharov, Alexander F. ; McWilliams, R. Stewart ; Husband, Rachel J. ; Andrzejewski, Michal ; Appel, Karen ; Baehtz, Carsten ; Bergermann, Armin ; Brown, Danielle ; Bykova, Elena ; Celeste, Anna ; Edmund, Eric ; Hartley, Nicholas J. ; Glazyrin, Konstantin ; Graafsma, Heinz ; Jaisle, Nicolas ; Konôpková, Zuzana ; Laurus, Torsten ; Lin, Yu ; Massani, Bernhard ; Schörner, Maximilian ; Schulze, Maximilian ; Strohm, Cornelius ; Tang, Minxue ; Younes, Zena ; Steinle-Neumann, Gerd ; Redmer, Ronald ; Glenzer, Siegfried H.:
Synthesis of Gold Hydride at High Pressure and High Temperature.
In: Angewandte Chemie International Edition. Bd. 64 (2025) Heft 38 . - e202505811.
ISSN 1521-3773
DOI: https://doi.org/10.1002/anie.202505811

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Abstract

Gold is an unreactive metal and its chemical interactions with hydrogen have only recently been explored. Here, we report the formation of gold hydride above 40 GPa and 2200 K in X-ray free electron laser heated diamond anvil cells using various hydrocarbons as hydrogen sources. Above 40 GPa, a hexagonal phase emerges close to the gold melting point, corresponding to a hydride with stoichiometry $\rm Au_2\rm H_ x$, with $x$ increasing from 0 to near 1 with pressure from 40 to 80 GPa. This is a high-temperature phase which reverts to face centered cubic gold on cooling to 295 K. Accompanying DFT-MD simulations are in excellent agreement with experiment and reveal the structure to consist of an hexagonal close packed gold lattice with atomic hydrogen disordered in the interstices. The hydrogen is superionic and exhibits high diffusivity through the crystalline gold lattice. Our results present the first solid-state binary compound of gold and hydrogen.