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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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Porous Zr6L3 Metallocage with Synergetic Binding Centers for CO2

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Title
Porous Zr6L3 Metallocage with Synergetic Binding Centers for CO2
Author
Lee, SoochanLee, Jeong HyeonKim, Jin ChulLee, SungminKwak, Sang KyuChoe, Wonyoung
Issue Date
2018-03
Publisher
AMER CHEMICAL SOC
Citation
ACS APPLIED MATERIALS & INTERFACES, v.10, no.10, pp.8685 - 8691
Abstract
Coordination-driven assembly has been widely successful in the synthesis of metallocages and used for many applications, such as catalysis. However, studies on CO2 adsorption with metallocages have been rarely conducted, compared to other well-known cage-type materials, such as porous organic cages. In this study, a rational choice of ligand and metal led to the synthesis of a Zr6L3-type metallocage, exhibiting exceptional CO2 adsorption properties. CO2 adsorption experiments revealed that the metallocage shows highly selective adsorption of CO2 over N2 with high CO2 binding energy. Density functional theory calculations uncovered the origin of this exceptional affinity for CO2 over N2.
URI
https://scholarworks.unist.ac.kr/handle/201301/24033
URL
https://pubs.acs.org/doi/10.1021/acsami.7b18836
DOI
10.1021/acsami.7b18836
ISSN
1944-8244
Appears in Collections:
CHM_Journal Papers
ECHE_Journal Papers
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