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Min, Seung Kyu
Theoretical/Computational Chemistry Group for Excited State Phenomena
Research Interests
  • Excited state dynamics, photosynthesis, solarcell, light-driven molecular machine

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CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination Pathway

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dc.contributor.author Kim, Dong Young ko
dc.contributor.author Lee, Han Myoung ko
dc.contributor.author Min, Seung Kyu ko
dc.contributor.author Cho, Yeonchoo ko
dc.contributor.author Hwang, In-Chul ko
dc.contributor.author Han, Kunwoo ko
dc.contributor.author Kim, Je Young ko
dc.contributor.author Kim, Kwang S. ko
dc.date.available 2015-09-01T05:27:02Z -
dc.date.created 2015-09-01 ko
dc.date.issued 2011-04 ko
dc.identifier.citation JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, no.7, pp.689 - 694 ko
dc.identifier.issn 1948-7185 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/16419 -
dc.description.abstract Capturing CO2 by aqueous ammonia has recently received much attention due to its advantages over other state-of-the-art CO2-capture technology. Thus, understanding this CO2-capturing mechanism, which has been causing controversy, is crucial for further development toward advanced CO2 capture. The CO2 conversion mechanism in aqueous ammonia is investigated using ab initio calculations and kinetic simulations. We show full details of all reaction pathways for the NH3-driven conversion mechanism of CO2 with the pronounced effect of microsolvation. Ammonia performs multiple roles as reactant, catalyst, base, and product controller. Both carbamic and carbonic acids are formed by the ammonia-driven trimolecular mechanism. Ammonia in microsolvation makes the formation of carbamic acid kinetically preferred over carbonic acid. As the concentration of CO2 increases, the dominant product becomes carbonic acid. The conversion from carbamic acid into carbonic acid occurs through the decomposition recombination pathway. This understanding would be exploited for the optimal CO2 capture technology. ko
dc.description.statementofresponsibility close -
dc.language 영어 ko
dc.publisher AMER CHEMICAL SOC ko
dc.title CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination Pathway ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-79953777788 ko
dc.identifier.wosid 000289341600002 ko
dc.type.rims ART ko
dc.description.wostc 21 *
dc.description.scopustc 22 *
dc.description.scopustc 22 *
dc.date.tcdate 2015-12-28 *
dc.date.scptcdate 2015-11-04 *
dc.date.scptcdate 2015-11-04 *
dc.identifier.doi 10.1021/jz200095j ko
dc.identifier.url http://pubs.acs.org/doi/abs/10.1021/jz200095j ko
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