Computational design of soft materials for the capture of Cs-137 in contaminated environments: From 2D covalent cucurbituril networks to 3D supramolecular materials

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Abstract

Using computational quantum chemistry methods we design novel 2D and 3D soft materials made of cucurbituril macrocycles covalently connected with each other via rigid linkers. Such covalent cucurbituril networks might be useful for the capture of radioactive Cs-137 (present as Cs+) in the contaminated environment.

Original languageEnglish
Title of host publicationFrontiers in Materials Science, FMS 2015
Subtitle of host publicationProceedings of the 2nd International Symposium on Frontiers in Materials Science
EditorsMasato Yoshiya, Nam-Nhat Hoang, Markus Munzenberg, Tomoyuki Yamamoto
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735414211
DOIs
Publication statusPublished - 2016 Aug 26
Event2nd International Symposium on Frontiers in Materials Science, FMS 2015 - Tokyo, Japan
Duration: 2015 Nov 192015 Nov 21

Publication series

NameAIP Conference Proceedings
Volume1763
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference2nd International Symposium on Frontiers in Materials Science, FMS 2015
Country/TerritoryJapan
CityTokyo
Period15/11/1915/11/21

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