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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
Structure, Stability And Vibrational Properties Of Cdse Wurtzite Molecules And Nanocrystals: A Dft Study, Mudar A. Abdulsattar, Hayder M. Abduljalil, Hussein Hakim Abed
Structure, Stability And Vibrational Properties Of Cdse Wurtzite Molecules And Nanocrystals: A Dft Study, Mudar A. Abdulsattar, Hayder M. Abduljalil, Hussein Hakim Abed
Karbala International Journal of Modern Science
Bare and hydrogen passivated CdSe wurtzite molecules and nanostructures are investigated. The investigation is performed using wurtzoid structures that represent the wurtzite structure at the molecular and nanoscale region. The results show that the energy gap of bare and hydrogen passivated CdSe molecules is higher than and converges to the experimental bulk energy gap. Vibrational analysis of wurtzoid molecules shows that the experimental longitudinal optical mode is in between bare and hydrogen passivated CdSe molecules and very near to bare molecules. The stability of wurtzoid molecules against transition to CdSe diamondoids and cuboids that represent the molecular scale of diamond …
Nanostructuring Organic/Inorganic Multicomponent Composites For Solution Processable Solar Cells, Brad Watson
Nanostructuring Organic/Inorganic Multicomponent Composites For Solution Processable Solar Cells, Brad Watson
Chemistry and Chemical Biology ETDs
The current state of organic photovoltaics is centered on systems of polymeric donors and some type of acceptor molecule (i.e. fullerene) formed into an active layer that adopts a bulk-heterojunction morphology. Although these devices have come a far way from where they were when they were first discovered in the 1980’s much work is still needed to make them a viable technology. Two of the limitations of this type of devices revolve around the relatively narrow absorption window of the components and lack of control over the morphology after the film is cast. To overcome these shortcomings there are several …