Please use this identifier to cite or link to this item: https://libjncir.jncasr.ac.in/xmlui/handle/10572/2225
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dc.contributor.authorRoy, Soumyabrata
dc.contributor.authorSarkar, Sumanta
dc.contributor.authorPan, Jaysree
dc.contributor.authorWaghmare, Umesh V.
dc.contributor.authorDhanya, R.
dc.contributor.authorNarayana, Chandrabhas
dc.contributor.authorPeter, Sebastian C.
dc.date.accessioned2017-01-24T06:38:15Z-
dc.date.available2017-01-24T06:38:15Z-
dc.date.issued2016
dc.identifier.citationRoy, S.; Sarkar, S.; Pan, J.; Waghmare, U. V.; Dhanya, R.; Narayana, C.; Peter, S. C., Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids. Inorganic Chemistry 2016, 55 (7), 3364-3377 http://dx.doi.org/10.1021/acs.inorgchem.5b02718en_US
dc.identifier.citationInorganic Chemistryen_US
dc.identifier.citation55en_US
dc.identifier.citation7en_US
dc.identifier.issn0020-1669
dc.identifier.urihttps://libjncir.jncasr.ac.in/xmlui/10572/2225-
dc.descriptionRestricted Accessen_US
dc.description.abstractWe have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices. We have also addressed a common crystallographic disorder observed in Keggin-ion (one type of heteropolyoxometalate [POMs])-based hybrid materials. Through a combination of crystallographic, spectroscopic, and theoretical analysis of four new POM-based hybrids synthesized with tactically varied reaction conditions, we trace the origin and nature of the disorder associated with it and the subtle local structural coordination involved in its core picture. While the crystallography yields a centrosymmetric structure with planar coordination of Si, our analysis with XPS, IR, and Raman spectroscopy reveals a tetrahedral coordination with broken inversion symmetry, corroborated by first-principles calculations.en_US
dc.description.uri1520-510Xen_US
dc.description.urihttp://dx.doi.org/10.1021/acs.inorgchem.5b02718en_US
dc.language.isoEnglishen_US
dc.publisherAmerican Chemical Societyen_US
dc.rights@American Chemical Society, 2016en_US
dc.subjectChemistryen_US
dc.subjectTransition-Metal Oxidesen_US
dc.subjectAugmented-Wave Methoden_US
dc.subjectSolar-Cellsen_US
dc.subjectPerovskitesen_US
dc.subjectEfficienten_US
dc.subjectArchitectureen_US
dc.subjectInterfaceen_US
dc.subjectCompositeen_US
dc.subjectFielden_US
dc.titleCrystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybridsen_US
dc.typeArticleen_US
Appears in Collections:Research Articles (Umesh V. Waghmare)
Research Papers (Sebastian C. Peter)

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