2022
DOI: 10.1039/d1na00321f
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A DFT study of SenTenclusters

Abstract: First principle calculations have been performed to study the characteristic properties of SenTen (n=5-10) clusters. Present study reveals that the properties of these small clusters are consistent with the properties...

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Cited by 5 publications
(1 citation statement)
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References 87 publications
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“…The observed rise in conductivity finds its explanation within the framework of the bond energies between Se, Te, and Bi atoms. , There is a preference for heteropolar bonds over homopolar bonds inside the matrix. As per the earlier studies, the introduction of Te into the Se-rich system leads to the creation of Se 6 Te 2 rings at the expense of Se 8 rings. , The study by J. Schottmiller discusses and provides evidence for the presence of Se 6 Te 2 rings through Raman spectroscopy in Se-dominated Se–Te alloys . The study reveals the addition of Te introduces a well-defined peak in the Raman spectra along with a peak of the Se 8 ring, which can be attributed to a mixed octa-atomic ring, predicted to be Se 6 Te 2 .…”
Section: Resultsmentioning
confidence: 76%
“…The observed rise in conductivity finds its explanation within the framework of the bond energies between Se, Te, and Bi atoms. , There is a preference for heteropolar bonds over homopolar bonds inside the matrix. As per the earlier studies, the introduction of Te into the Se-rich system leads to the creation of Se 6 Te 2 rings at the expense of Se 8 rings. , The study by J. Schottmiller discusses and provides evidence for the presence of Se 6 Te 2 rings through Raman spectroscopy in Se-dominated Se–Te alloys . The study reveals the addition of Te introduces a well-defined peak in the Raman spectra along with a peak of the Se 8 ring, which can be attributed to a mixed octa-atomic ring, predicted to be Se 6 Te 2 .…”
Section: Resultsmentioning
confidence: 76%