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  3. Vietnam Journal of Chemistry
Please use this identifier to cite or link to this item: https://dspace.ctu.edu.vn/jspui/handle/123456789/33401
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dc.contributor.authorTran, Ngoc Dung-
dc.contributor.authorNguyen, Van Trang-
dc.contributor.authorTran, Thi Thoa-
dc.contributor.authorPhan, Thi Thuy-
dc.contributor.authorDinh, Thi Mai Thanh-
dc.contributor.authorNguyen, Thi Minh Hue-
dc.date.accessioned2020-09-04T14:09:18Z-
dc.date.available2020-09-04T14:09:18Z-
dc.date.issued2020-
dc.identifier.issn2525-2321-
dc.identifier.urihttps://dspace.ctu.edu.vn/jspui/handle/123456789/33401-
dc.description.abstractStructures and properties of some oligomer silole compounds have been studied using the Density Functional Theory (DFT) at B3LYP/6-31++G(d,p) levels. We have identified 32 stable geometries with some important properties such as band gap, UV-Vis spectroscopy. The band gaps of these siloles range from 2.0 to 3.0 eV, which can promise that the siloles are potential materials for semiconductor and luminescence.vi_VN
dc.language.isoenvi_VN
dc.relation.ispartofseriesVietnam Journal of Chemistry;Vol. 58 No. 02 .- P.212-220-
dc.subjectSilolesvi_VN
dc.subjectDensity Functional Theory (DFT)vi_VN
dc.subjectHOMO-LUMOvi_VN
dc.subjectSemiconductor and luminescencevi_VN
dc.titleTheoretical study of structures and properties of some silole compoundsvi_VN
dc.typeArticlevi_VN
Appears in Collections:Vietnam Journal of Chemistry

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