Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation

Abstract Understanding elements uptake and release from minerals in source rocks is crucial for comprehending critical metals accumulation, yet the mechanisms and kinetics of element mobilization at the atomic scale remain mostly unknown. Here, we analyzed the distribution of cobalt (Co) in natural...

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Main Authors: Zheng-Jie Qiu, Yanlu Xing, Joël Brugger, Barbara Etschmann, Zsanett Pintér, Denis Fougerouse, Jing Xu, Zhiyang Yu, Guang-Jun Guo, Hong-Rui Fan
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-57171-4
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author Zheng-Jie Qiu
Yanlu Xing
Joël Brugger
Barbara Etschmann
Zsanett Pintér
Denis Fougerouse
Jing Xu
Zhiyang Yu
Guang-Jun Guo
Hong-Rui Fan
author_facet Zheng-Jie Qiu
Yanlu Xing
Joël Brugger
Barbara Etschmann
Zsanett Pintér
Denis Fougerouse
Jing Xu
Zhiyang Yu
Guang-Jun Guo
Hong-Rui Fan
author_sort Zheng-Jie Qiu
collection DOAJ
description Abstract Understanding elements uptake and release from minerals in source rocks is crucial for comprehending critical metals accumulation, yet the mechanisms and kinetics of element mobilization at the atomic scale remain mostly unknown. Here, we analyzed the distribution of cobalt (Co) in natural pyrite from a Cu-Co ore deposit and found that metals distribution is best described by steady-state diffusion with constant flux and concentration-dependent diffusivities, rather than transient-state diffusion with time-evolving concentrations. First-principles calculations and diffusion modelling further demonstrate that this diffusion is accelerated by vacancy pathways and is far more efficient than traditional vacancy-mediated lattice diffusion, with element transfer rates higher by almost two orders of magnitude. We conclude that steady-state lattice diffusion induced by vacancies in the presence of fluid can be an efficient mechanism promoting the preferential release of metals into ore fluids and the accumulation of metals during ore formation.
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issn 2041-1723
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publisher Nature Portfolio
record_format Article
series Nature Communications
spelling doaj-art-5518bf52d5b44382be08b131c232a2c62025-08-20T03:10:52ZengNature PortfolioNature Communications2041-17232025-02-0116111010.1038/s41467-025-57171-4Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulationZheng-Jie Qiu0Yanlu Xing1Joël Brugger2Barbara Etschmann3Zsanett Pintér4Denis Fougerouse5Jing Xu6Zhiyang Yu7Guang-Jun Guo8Hong-Rui Fan9State Key Laboratory of Lithospheric and Environmental Coevolution, Institute of Geology and Geophysics, Chinese Academy of SciencesCSIRO, Mineral ResourcesSchool of Earth, Atmosphere and Environment, Monash UniversitySchool of Earth, Atmosphere and Environment, Monash UniversityCSIRO, Mineral ResourcesSchool of Earth and Planetary Sciences, Curtin UniversityZijin School of Geology and Mining, Fuzhou UniversityState Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou UniversityCollege of Earth and Planetary Sciences, University of Chinese Academy of SciencesState Key Laboratory of Lithospheric and Environmental Coevolution, Institute of Geology and Geophysics, Chinese Academy of SciencesAbstract Understanding elements uptake and release from minerals in source rocks is crucial for comprehending critical metals accumulation, yet the mechanisms and kinetics of element mobilization at the atomic scale remain mostly unknown. Here, we analyzed the distribution of cobalt (Co) in natural pyrite from a Cu-Co ore deposit and found that metals distribution is best described by steady-state diffusion with constant flux and concentration-dependent diffusivities, rather than transient-state diffusion with time-evolving concentrations. First-principles calculations and diffusion modelling further demonstrate that this diffusion is accelerated by vacancy pathways and is far more efficient than traditional vacancy-mediated lattice diffusion, with element transfer rates higher by almost two orders of magnitude. We conclude that steady-state lattice diffusion induced by vacancies in the presence of fluid can be an efficient mechanism promoting the preferential release of metals into ore fluids and the accumulation of metals during ore formation.https://doi.org/10.1038/s41467-025-57171-4
spellingShingle Zheng-Jie Qiu
Yanlu Xing
Joël Brugger
Barbara Etschmann
Zsanett Pintér
Denis Fougerouse
Jing Xu
Zhiyang Yu
Guang-Jun Guo
Hong-Rui Fan
Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
Nature Communications
title Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
title_full Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
title_fullStr Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
title_full_unstemmed Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
title_short Vacancies in sulfides facilitate fluid-induced solid-state diffusion and critical metals accumulation
title_sort vacancies in sulfides facilitate fluid induced solid state diffusion and critical metals accumulation
url https://doi.org/10.1038/s41467-025-57171-4
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