Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2.nH2O (n=0,1,8)

This presentation encapsulated the use of density functional theory (DFT) to investigate the mechanism of CO2 conversion on various crystal surfaces, including SrO, Sr(OH)2, Sr(OH)2·H2O, and Sr(OH)2·8H2O. The study provides unique insights into the fundamental mechanism for CO2 capture using SrO and its hydrated forms.

Authors

Manh Tien Nguyen (ORCID: https://orcid.org/0000-0001-5264-3583)
Yuhua Duan (ORCID: https://orcid.org/0000-0001-7447-0142)
Douglas R. Kauffman (ORCID: https://orcid.org/0000-0002-7855-3428)
Dominic Alfonso (ORCID: https://orcid.org/0000-0002-2886-2433)
Christopher Marin

Institutions

Oak Ridge Associated Universities (US)
National Energy Technology Laboratory (US)
Oak Ridge Institute for Science and Education

Publication Details

Published: 2025-04-24
DOI: https://doi.org/10.2172/2564885
Primary Topic: Carbon Dioxide Capture Technologies
Type: article
Field-Weighted Citation Impact: 0.00

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article

Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2.nH2O (n=0,1,8)

Manh Tien Nguyen, Yuhua Duan, Douglas R. Kauffman, Dominic Alfonso et al.

Apr 24, 2025

Carbon Dioxide Capture Technologies

article

Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2.nH2O (n=0,1,8)

Manh Tien Nguyen, Yuhua Duan, Douglas R. Kauffman, Dominic Alfonso, Christopher Marin

April 24, 2025article en

Abstract

This presentation encapsulated the use of density functional theory (DFT) to investigate the mechanism of CO2 conversion on various crystal surfaces, including SrO, Sr(OH)2, Sr(OH)2·H2O, and Sr(OH)2·8H2O. The study provides unique insights into the fundamental mechanism for CO2 capture using SrO and its hydrated forms.

Oak Ridge Associated Universities (US), National Energy Technology Laboratory (US), Oak Ridge Institute for Science and Education

Openalex Percentile: Top 90%

Carbon Dioxide Capture Technologies

DOI Open Access PDF OpenAlex

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