D
Demetrio A. da Silva Filho
Researcher at University of Brasília
Publications - 99
Citations - 11813
Demetrio A. da Silva Filho is an academic researcher from University of Brasília. The author has contributed to research in topics: Density functional theory & Organic semiconductor. The author has an hindex of 30, co-authored 93 publications receiving 10760 citations. Previous affiliations of Demetrio A. da Silva Filho include University of Arizona & University of Paris.
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Journal ArticleDOI
A DFT study of a set of natural dyes for organic electronics.
Igo T. Lima,Leonardo Evaristo de Sousa,Renato da S Freitas,Luiz Antonio Ribeiro Junior,Rafael Timóteo de Sousa Júnior,Demetrio A. da Silva Filho +5 more
TL;DR: The authors' simulations suggest that the Franck–Condon approximation may not be suitable to appropriately characterize the vibronic progression of these molecules, whereas the NE approach provides a contribution that vary from negligible to meaningful depending on which molecule and energy region is under analysis.
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Kinetic Monte Carlo model for the COVID-19 epidemic: Impact of mobility restriction on a COVID-19 outbreak.
TL;DR: A kinetic Monte Carlo epidemic model that focuses on demography and on age-structured mobility data is proposed to simulate the evolution of the COVID-19 outbreak in the capital of Brazil, Brasilia, under several scenarios of mobility restriction and shows that the distribution of epidemic outcomes can be divided into short-lived mild outbreaks and longer severe ones.
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Fast predictions of exciton diffusion length in organic materials
Leonardo Evaristo de Sousa,Fernando Teixeira Bueno,Geraldo Magela e Silva,Demetrio A. da Silva Filho,Pedro Henrique de Oliveira Neto +4 more
TL;DR: In this article, the authors present a protocol that combines quantum chemistry calculations and analytical considerations to estimate the exciton diffusion lengths of several commonly employed organic molecules under different morphological conditions.
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Optimally tuned functionals improving the description of optical and electronic properties of the phthalocyanine molecule.
Tamires Lima Pereira,Luciano Almeida Leal,Wiliam Ferreira da Cunha,Rafael Timóteo de Sousa Júnior,Luiz Antonio Ribeiro Junior,Demetrio A. da Silva Filho +5 more
TL;DR: The results suggest that correcting the long-range term on exchange term of the Coulomb operator, by means of a tuning procedure, is a good option to accurately describe properties of the phthalocyanine molecule.
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Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole
Alberto A. R. Mota,José R. Corrêa,Pedro H. P. R. Carvalho,Nubia M. P. de Sousa,Heibbe C. B. de Oliveira,Claudia C. Gatto,Demetrio A. da Silva Filho,Aline L. de Oliveira,Brenno A. D. Neto +8 more
TL;DR: The capability of undergoing efficient stabilizing processes from the excited state allowed the novel BTD derivative to be used as a stable probe for bioimaging applications and was successfully tested as a live-cell-imaging probe and efficiently stained MCF-7 breast cancer cell lineages.