Electric-Field Controlled Switchable and Efficient Separation of Radioactive Xe/Kr on Borophene: A Theoretical Study.

Autor: Zhang W; State Key Laboratory of Radiation Medicine and Protection, Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, School for Radiological and Interdisciplinary Sciences, Soochow University, Suzhou, 215123, China., Qu M; State Key Laboratory of Radiation Medicine and Protection, Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, School for Radiological and Interdisciplinary Sciences, Soochow University, Suzhou, 215123, China.; Key Laboratory of Environmental Related Diseases and One Health, Xianning Medical College, Hubei University of Science and Technology, Xianning, 437000, China., Du A; School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4001, Australia., Sun Q; State Key Laboratory of Radiation Medicine and Protection, Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, School for Radiological and Interdisciplinary Sciences, Soochow University, Suzhou, 215123, China.
Jazyk: angličtina
Zdroj: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2024 Oct 14, pp. e202400720. Date of Electronic Publication: 2024 Oct 14.
DOI: 10.1002/cphc.202400720
Abstrakt: The efficient and reversible separation of radioactive Xe/Kr during spent fuel reprocessing is important and challenging for the rapid development of nuclear energy. In this study, we firstly report a strategy of applying an electric field on the solid adsorbent borophene to realize efficient and switchable Xe/Kr separation via a density functional theory (DFT) investigation. Based on the calculational results, the adsorption energies for Xe and Kr on borophene without an electric field are -0.25 eV and -0.18 eV, respectively, indicating that Xe and Kr can only form weak adsorption on borophene. However, by applying an electric field (0.006 a.u.) to the systems, the adsorption energies for Xe and Kr on borophene are -0.98 eV and -0.47 eV, respectively, which shows that the interaction between Xe and borophene has increased dramatically compared with that of Kr, so Xe can be separated from radioactive Xe/Kr mixtures. What's more, when the electric field is removed, desorption of Xe from the surface of borophene is exothermic without an energy barrier. The adsorbent is recyclable. In summary, this theoretical study provides novel information for experimental researches, the highly efficient Xe/Kr separation can be controlled by turning on/off the applied electric field.
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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