Breaking up CO2 through pressure-induced redox reaction with rhenium

Durkee, Dylan; Hu, S. X.

doi:10.1103/physrevb.109.014207

Title: Breaking up CO₂ through pressure-induced redox reaction with rhenium

Journal Article · 10 January 2024 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.109.014207 · OSTI ID:2281587

Durkee, Dylan ^[1];

^[2]

University of Rochester, NY (United States); Laboratory for Laser Energetics, University of Rochester
University of Rochester, NY (United States)

We present results from density-functional-theory (DFT) based molecular dynamics simulations of fluid mixtures of carbon dioxide (CO₂) and rhenium (Re) metal at pressures up to 45 GPa and a temperature of 4000 K. Covalently-bonded carbon chains form as a result of a redox reaction between CO₂ and Re, whereas a pure CO₂ fluid is stable against decomposition at the same conditions. Furthermore, these findings have implications in reducing CO₂ by pressure-induced redox reactions with transition metals, which may play a role in CO₂ destruction and carbon storage as related to possible solutions to the current climate crisis.

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Research Organization:: University of Rochester, NY (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003856

OSTI ID:: 2281587

Alternate ID(s):: OSTI ID: 2473564

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 1 Vol. 109; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Chemical reactions
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Title: Breaking up CO2 through pressure-induced redox reaction with rhenium

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Title: Breaking up CO₂ through pressure-induced redox reaction with rhenium