Synthesis of Gold Hydride at High Pressure and High Temperature

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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mi>Au</mml:mi> <mml:mn>2</mml:mn></mml:msub> <mml:msub><mml:mi>H</mml:mi> <mml:mi>x</mml:mi></mml:msub> </mml:mrow> <mml:annotation>${\rm Au}_2{\rm H}_{ x}$</mml:annotation></mml:semantics> </mml:math> , with <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>x</mml:mi> <mml:annotation>$x$</mml:annotation></mml:semantics> </mml:math> 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.

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Publication Details

Journal
Angewandte Chemie International Edition
Published
2025-08-04
DOI
https://doi.org/10.1002/anie.202505811
Citations
2
Primary Topic
Diamond and Carbon-based Materials Research
Type
article
Field-Weighted Citation Impact
1.04

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article

Synthesis of Gold Hydride at High Pressure and High Temperature

N. J. Hartley, Maximilian Schörner, Maximilian Schulze, Minxue Tang et al.
2 citations
Angewandte Chemie International Edition
Diamond and Carbon-based Materials Research
1.04
article

Synthesis of Gold Hydride at High Pressure and High Temperature

N. J. Hartley, Maximilian Schörner, Maximilian Schulze, Minxue Tang, Zuzana Konôpková, Armin Bergermann, Torsten Laurus, Nicolas Jaisle, C. Strohm, Gerd Steinle‐Neumann, Yu Lin, Eric Edmund, Klaus Abraham, Bernhard Massani, R. Redmer, Karen Appel, Rachel J. Husband, S. H. Glenzer, Mungo Frost, Elena A. Bykova, Carsten Baehtz, Anna Celeste, H. Graafsma, Zena Younes, R. S. McWilliams, Michał Andrzejewski, D. B. Brown, Konstantin V. Glazyrin, A. F. Goncharov
article en
2 citations

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 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mi>Au</mml:mi> <mml:mn>2</mml:mn></mml:msub> <mml:msub><mml:mi>H</mml:mi> <mml:mi>x</mml:mi></mml:msub> </mml:mrow> <mml:annotation>${\rm Au}_2{\rm H}_{ x}$</mml:annotation></mml:semantics> </mml:math> , with <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:semantics><mml:mi>x</mml:mi> <mml:annotation>$x$</mml:annotation></mml:semantics> </mml:math> 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.

Angewandte Chemie International EditionVol. 64(38)
Goethe University Frankfurt (DE), Planetary Science Institute (US), Carnegie Institution for Science (US), Helmholtz-Zentrum Dresden-Rossendorf (DE), Deutsches Elektronen-Synchrotron DESY (DE), SLAC National Accelerator Laboratory (US), University of Rostock (DE), University of Bayreuth (DE), European X-Ray Free-Electron Laser (DE), University of Edinburgh (GB)
National Science Foundation, U.S. Department of Energy, Alfred P. Sloan Foundation, Deutsche Forschungsgemeinschaft, H2020 European Research Council
Openalex Percentile: Top 23%
Diamond and Carbon-based Materials Research
1.04
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