화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2019년 봄 (04/24 ~ 04/26, 제주국제컨벤션센터)
권호 25권 1호, p.324
발표분야 분리기술(Separation Technology)
제목 Understanding the Structure and Chemical Bonding of Copper Iodide Clusters
초록 A series of copper iodide clusters is an important class of bi-elemental clusters. In this present work, we have explored the structure and bonding pattern of a selected series of copper iodide clusters. The ground state geometries of each cluster are predicted and electronic and geometric properties are studied. A regular trend between the calculated properties with the number of iodine atoms is observed. In addition, similar properties for an experimentally synthesized cluster containing coordination polymer are evaluated and compared with the respective pristine cluster.
저자 터바수 선굽타, 리원원, 정진석, 강성구
소속 울산대
키워드 막분리
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