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Theoretical studies on nanocrystals

Grant number:22/08048-1
Support Opportunities:Research Grants - Visiting Researcher Grant - International
Start date: September 20, 2022
End date: September 16, 2023
Field of knowledge:Engineering - Materials and Metallurgical Engineering - Nonmetallic Materials
Principal Investigator:Edson Roberto Leite
Grantee:Edson Roberto Leite
Visiting researcher:Juan Manoel Andrés Bort
Visiting researcher institution: Universitat Jaume I , Spain
Host Institution:Centro Nacional de Pesquisa em Energia e Materiais (CNPEM). Campinas , SP, Brazil
City of the host institution:Campinas
Associated research grant:13/07296-2 - CDMF - Center for the Development of Functional Materials, AP.CEPID

Abstract

In this project we are proposing the visit of Prof. Dr. Juan Andrés Bort (for a period of one year) to assist the creation/implementation of the LNNano/CNPEM materials theory group. Prof. Juan will act directly in the implementation of theoretical and computational chemistry methodologies, in particular, the combination of first principles calculations (which basically involves DFT calculations) with an algorithm based on the Wulff construction, to predict the evolution of the nanocrystals morphology of materials that are being developed here at LNNano. (AU)

Articles published in Agência FAPESP Newsletter about the research grant:
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Articles published in other media outlets ( ):
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Scientific publications
(The scientific publications listed on this page originate from the Web of Science or SciELO databases. Their authors have cited FAPESP grant or fellowship project numbers awarded to Principal Investigators or Fellowship Recipients, whether or not they are among the authors. This information is collected automatically and retrieved directly from those bibliometric databases.)
GOUVEIA, AMANDA F.; ALDAO, CELSO M.; PONCE, MIGUEL A.; LEITE, EDSON R.; LONGO, ELSON; ANDRES, JUAN. The hinge morphology of SnO2 as multifunctional semiconductor: What we can learn from simulations, theory, and experiments. Applied Surface Science, v. 622, p. 15-pg., . (13/07296-2, 22/08048-1)
GOUVEIA, AMANDA F.; LEMOS, SAMANTHA C. S.; LEITE, EDSON R. R.; LONGO, ELSON; ANDRES, JUAN. Back to the Basics: Probing the Role of Surfaces in the Experimentally Observed Morphological Evolution of ZnO. NANOMATERIALS, v. 13, n. 6, p. 15-pg., . (13/07296-2, 22/08048-1)
SILVA, ELIEZER C.; GOUVEIA, AMANDA F.; PINHEIRO NETO, ANTONIO L.; LEITE, EDSON R.; ANDRES, JUAN; NOGUEIRA, ICAMIRA C.. Complementary experimental and computational investigation of the structural, vibrational, and electronic properties of La2(WO4)3. CERAMICS INTERNATIONAL, v. 51, n. 24, p. 7-pg., . (22/08048-1, 13/07296-2)