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Design and study of energetic and conversion materials


Nanotechnology and energy are priority areas in the National Strategy for Science, Technology and Innovation. The development of new nanostructured or environmentally efficient materials is crucial to the development of these two areas. This project aims to study and development of energetic materials or energy conversion materials aiming to contribute to the development of nanotechnology and green economy areas and thus promoting the formation of human resources in these scientific and technological fields. Among the many possible topics for study in this field, three in particular were selected: A) the investigation of the properties of carbon and graphene quantum dots carbon; B) the development of explosives at the nanoscale; C) the study of ionic liquid as an environment to improved quantum dot properties. For all the systems proposed for study, computer simulation techniques and quantum calculations will be used to elucidate its structure, electronic stability and thermodynamics. Such studies may explain, for example, which the physicochemical characteristics of the processes involved are important to improve or stabilize the functional properties of materials under investigation. (AU)

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(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
MALASPINA, THACIANA; OUTI, FELIPE DE OLIVEIRA; COLHERINHAS, GUILHERME; FILETI, EUDES E.. Hydration properties of the polyalanines by atomistic molecular dynamics. JOURNAL OF MOLECULAR LIQUIDS, v. 244, p. 285-290, . (15/12644-5)

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