Studies on Size Dependent Structures and Optical Properties of CdSeS Clusters
Journal of Cluster Science, ISSN: 1572-8862, Vol: 31, Issue: 5, Page: 1111-1121
2020
- 6Citations
- 6Captures
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Article Description
The size-dependent structures and optical properties of CdSeS nanoclusters in water medium are investigated. The stability of different size-dependent CdSeS nanoclusters (up to n = 6) is studied using density functional theory/time-dependent density functional theory (DFT/TDDFT). The computed results for ground (S) and excited (S, S, S) states are experimentally verified through UV–Vis spectroscopy. Computed ab initio results suggest that CdSeS clusters are significantly more hyperpolarizable compared to CdX (X = S, Se, Te) clusters. Structure dependent response properties are also observed, especially for n ≥ 3. Larger hyperpolarizabilities (β and γ), charge variation and orbital analysis establish CdSeS clusters, as nonlinear optically active quantum dots (QDs).
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85075076073&origin=inward; http://dx.doi.org/10.1007/s10876-019-01719-0; http://link.springer.com/10.1007/s10876-019-01719-0; http://link.springer.com/content/pdf/10.1007/s10876-019-01719-0.pdf; http://link.springer.com/article/10.1007/s10876-019-01719-0/fulltext.html; https://dx.doi.org/10.1007/s10876-019-01719-0; https://link.springer.com/article/10.1007/s10876-019-01719-0
Springer Science and Business Media LLC
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