Synthesis of Gold Hydride at High Pressure and High Temperature

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.

doi:10.1002/anie.202505811

Synthesis of Gold Hydride at High Pressure and High Temperature

Journal Article · Mon Aug 04 00:00:00 EDT 2025 · Angewandte Chemie International Edition

DOI:https://doi.org/10.1002/anie.202505811· OSTI ID:2589240

^[1]; Abraham, Kilian ^[2]; Goncharov, Alexander F. ^[3]; McWilliams, R. Stewart ^[4]; Husband, Rachel J. ^[5]; Andrzejewski, Michal ^[6]; Appel, Karen ^[6]; Baehtz, Carsten ^[7]; Bergermann, Armin ^[2]; Brown, Danielle ^[1]; Bykova, Elena ^[8]; Celeste, Anna ^[9]; Edmund, Eric ^[3]; Hartley, Nicholas J. ^[1]; Glazyrin, Konstantin ^[5]; Graafsma, Heinz ^[5]; Jaisle, Nicolas ^[4]; Konôpková, Zuzana ^[6]; Laurus, Torsten ^[5]; Lin, Yu ^[10] more »

SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Univ. of Rostock (Germany)
Carnegie Inst. of Science, Washington, DC (United States)
Univ. of Edinburgh, Scotland (United Kingdom)
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
European XFEL, Schenefeld (Germany)
Helmholtz-Zentrum Dresden-Rossendorf (HZDR) (Germany)
Goethe Univ., Frankfurt (Germany)
Stanford Univ., CA (United States)
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES)
Univ. of Bayreuth (Germany)

Gold is an unreactive metal and its chemical interactions with hydrogen have only recently been explored. Here, in this study, 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 Au₂H_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.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Fusion Energy Sciences (FES); National Science Foundation (NSF); Alfred P. Sloan Foundation; German Research Foundation (DFG)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 2589240

Journal Information:: Angewandte Chemie International Edition, Journal Name: Angewandte Chemie International Edition Journal Issue: 38 Vol. 64; ISSN 1521-3773; ISSN 1433-7851

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

Ab initio calculations
Gold
High-pressure Chemistry
Hydrides
X-ray diffraction

Synthesis of Gold Hydride at High Pressure and High Temperature

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