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Demétrio Antônio da Silva Filho

Doutor (UNICAMP, Campinas, 2003); pós-doutorado (University of Arizona, 2003; Georgia Institute of Technology. 2003-2005). Professor Adjunto. Núcleo de Física Atômica, Molecular e Fluidos.

♦ sala: ICC - Módulo 13 - CSS 334

♦ telefone: (61) 3107-7790

♦ e-mail:
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Últimos trabalhos

D. A. D. S. Filho, C. Demeloa, B. Kirtmanb, T. Totoc, J. Totoc, "A comparative study of the hyperpolarizabilities of solitonic chains", Synthetic Metals 102, 1584 (1999)

A. G. Bezerra, A. S. L. Gomes, D. A. da Silva-Filho, L. H. Acioli, C. B. de Araújo, C. P. de Melo, "Molecular hyperpolarizabilities of retinal derivatives", Journal of Chemical Physics 111, 5102 (1999)

P. Dynarowicz-Latka, A. Cavalli, D. A. Silva-Filho, M. C. Santos, O. N. Oliveira Jr, "Dipole moments in Langmuir monolayers from aromatic carboxylic acids", Chemical Physics Letters 326, 39 (2000)

P. Dynarowicz-Latka, K. Kita, P. Milart, A. Dhanabalan, A. Cavalli, D. A. da Silva-Filho, O. N. Oliveira Jr, "Langmuir monolayers from substituted aromatic carboxylic acids", Progress in Colloid and Polymer Science 118, 5 (2001)

P. Dynarowicz-Latka, K. Kita, P. Milart, A. Dhanabalan, A. Cavalli, D. A. Silva-Filho, O. N. Oliveira Jr, "Structural modification influences the characteristics of Langmuir monolayers from aromatic carboxylic acids", Journal of Colloid and Interface Science 239, 158 (2001)

P. Dynarowicz-Latka, A. Cavalli, D. A. Silva-Filho, P. Milart, M. dos Santos, O. N. Oliveira Jr, "Quantitative treatment of surface potentials in Langmuir films from aromatic amphiphiles", Chemical Physics Letters 337, 11 (2001)

V. Coropceanu, M. Malagoli, D. A. da Silva Filho, N. E. Gruhn, T. G. Bill, J. L. Brédas, "Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions", Physical Review Letters 89, 275503 (2002)

N. E. Gruhn, D. A. da Silva Filho, T. G. Bill, M. Malagoli, V. Coropceanu, A. Kahn, J. L. Brédas, "The vibrational reorganization energy in pentacene: molecular influences on charge transport", Journal of the American Chemical Society 124, 7918 (2002)

P. Dynarowiczika, K. Kita, P. Milart, A. Dhanabalan, A. Cavalli, D. da Silva Filho, M. dos Santos, O. Oliveira, "Influence of apolar group structure on the properties of Langmuir monolayers of polyphenyl carboxylic acids", Colloids and Surfaces A 198-200, 141 (2002)

Y. C. Cheng, R. J. Silbey, D. A. da Silva Filho, J. P. Calbert, J. Cornil, J. L. Brédas, "Three-dimensional band structure and bandlike mobility in oligoacene single crystals: a theoretical investigation", Journal of Chemical Physics 118, 3764 (2003)

D. E. Janzen, M. W. Burand, P. C. Ewbank, T. M. Pappenfus, H. Higuchi, D. A. Silva Filho, V. G. Young, J. L. Brédas, K. R. Mann, "Preparation and characterization of ?-stacking quinodimethane oligothiophenes - predicting semiconductor behavior and bandwidths from crystal structures and molecular orbital calculations", Journal of the American Chemical Society 126, 15295 (2004)

D. A. da Silva Filho, R. Friedlein, V. Coropceanu, G.?hrwall, W. Osikowicz, C. Suess, S. L. Sorensen, S. Svensson, W. R. Salaneck, J. L. Brédas, "Vibronic coupling in the ground and excited states of the naphthalene cation", Chemical Communications (London), 1702 (2004)

R. J. Chesterfield, J. C. McKeen, C. R. Newman, P. C. Ewbank, D. A. da Silva Filho, J. L. Brédas, L. L. Miller, K. R. Mann, C. D. Frisbie, "Organic thin film transistors based on -alkyl perylene diimides: charge transport kinetics as a function of gate voltage and temperature", Journal of Physical Chemistry B 108, 19281 (2004)

C. R. Newman, C. D. Frisbie, C. Daniel D. A. Silva Filho, J. L. Brédas, P. C. Ewbank, K. R. Mann, "Introduction to organic thin film transistors and design of n-channel organic semiconductors", Chemistry of Materials 16, 4436 (2004)

P. Marsal, I. Avilov, D. A. da Silva Filho, J. L. Brédas, D. Beljonne, "Molecular hosts for triplet emission in light emitting diodes: a quantum-chemical study", Chemical Physics Letters 392, 521 (2004)

V. Lemaur, D. A. da Silva Filho, V. Coropceanu, M. Lehmann, Y. Geerts, J. Piris, M. G. Debije, A. M. van de Craats, K. Senthilkumar, L. D. A. Siebbeles, J. M. Warman, J. L. Brédas, J. Cornil, "Charge transport properties in discotic liquid crystals: a quantum-chemical insight into structure property relationships", Journal of the American Chemical Society 126, 3271 (2004)

M. Malagoli, V. Coropceanu, D. A. da Silva Filho, J. L. Brédas, "A multimode analysis of the gas-phase photoelectron spectra in oligoacenes", Journal of Chemical Physics 120, 7490 (2004)

D. A. da Silva Filho, E.-G. Kim, J. L. Brédas, "Transport properties in the rubrene crystal: electronic coupling and vibrational reorganization energy", Advanced Materials (Weinheim) 17, 1072 (2005)

J. H. Kang, D. da Silva Filho, J. L. Bredas, X.-Y. Zhu, "Shallow trap states in pentacene thin films from molecular sliding", Applied Physics Letters 86, 152115 (2005)

X. Cai, M. W. Burand, C. R. Newman, D. A. da Silva Filho, T. M. Pappenfus, M. M. Bader, J. L. Brédas, K. R. Mann, C. D. Frisbie, "N- and P-phannel transport behavior in thin film transistors based on tricyanovinyl-capped oligothiophenes", Journal of Physical Chemistry B 110, 14590 (2006)

M. Burand, K. Mcgee, X. Cai, D. da Silva Filho, J. Bredas, C. D. Frisbie, K. Mann, "Synthesis, X-ray, spectroelectrochemical, and theoretical studies of a tricyanovinyl-capped quaterthiophene: a correlation of semiconductor performance with physical properties", Chemical Physics Letters 425, 251 (2006)

E. F. Valeev, V. Coropceanu, D. A. da Silva Filho, S. Salman, J. L. Brédas, "Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors", Journal of the American Chemical Society 128, 9882 (2006)

R. S. Sánchez-Carrera, S. Roel V. Coropceanu, D. A. da Silva Filho, R. Friedlein, W. Osikowicz, R. Murdey, C. Suess, W. R. Salaneck, J. L. Brédas, "Vibronic coupling in the ground and excited states of oligoacene cations", Journal of Physical Chemistry B 110, 18904 (2006)

V. Coropceanu, J. Cornil, D. A. da Silva Filho, Y. Olivier, R. Silbey, J. L. Brédas, "Charge transport in organic semiconductors", Chemical Reviews 107, 926 (2007)

I. L. Karle, R. J. Butcher, M. A. Wolak, D. A. da Silva Filho, M. Uchida, J.-L. Bredas, Z. H. Kafafi, "Cooperative CH interactions in the crystal structure of 2,5-di(3-biphenyl)-1,1-dimethyl-3,4-diphenyl-silole and its effect on its electronic properties", Journal of Physical Chemistry C 111, 9543 (2007)

D. A. da Silva Filho, V. Coropceanu, D. Fichou, N. E. Gruhn, T. G. Bill, J. Gierschner, J. Cornil, J. L. Brédas, "Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies", Philosophical Transactions of the Royal Society 365, 1435 (2007)

D. E. Janzen, D. G. VanDerveer, L. F. Mehne, D. A. da Silva Filho, J. L. Brédas, G. J. Grant, "Cyclometallated Pt(ii) and Pd(ii) complexes with a trithiacrown ligand", Dalton Transactions 1872 (2008)

S. E. Koh, C. Risko, D. A. da Silva Filho, O. Kwon, A. Facchetti, J.-L. Brédas, T. J. Marks, M. A. Ratner, "Modeling electron and hole transport in fluoroarene-oligothiopene semiconductors: investigation of geometric and electronic structure properties", Advanced Functional Materials 18, 332 (2008)

M. C. R. Delgado, K. R. Pigg, D. A. da Silva Filho, N. E. Gruhn, Y. Sakamoto, T. Suzuki, R. M. Osuna, J. Casado, V. Hernández, J. T. L. Navarrete, N. G. Martinelli, J. Cornil, R. S. Sánchez-Carrera, V. Coropceanu, J. L. Brédas, "Impact of perfluorination on the charge-transport parameters of oligoacene crystals", Journal of the American Chemical Society 131, 1502 (2009)

M. C. R. Delgado, E.-G. Kim, D. A. da Silva Filho, J.-L. Bredas, "Tuning the charge-transport parameters of perylene diimide single crystals via end and/or core functionalization: a density functional theory investigation", Journal of the American Chemical Society 132, 3375 (2010)

L. F. Roncaratti, R. Gargano, P. H. de Oliveira Neto, W. F. da Cunha, D. A. da Silva Filho, G. M. e Silva, "Temperature-induced oscillating electric dipole in conjugated systems", Chemical Physics Letters 539, 214 (2012)

D. A. da Silva Filho, V. Coropceanu, N. E. Gruhn, P. H. D. Neto, J. L. Bredas, "Intramolecular reorganization energy in zinc phthalocyanine and its fluorinated derivatives: a joint experimental and theoretical study", Chemical Communications 49, 6069 (2013)

J. Casado, V. Hernandez, J. T. L. Navarrete, M. Algarra, D. A. da Silva Filho, S. Yamaguchi, R. Rondao, J. S. S. de Melo, V. Navarro-Fuster, P. G. Boj, M. A. Diaz-Garcia, "Amplified spontaneous emission in pentathienoacene dioxides by direct optical pump and by energy transfer: correlation with photophysical parameters", Advanced Optical Materials 1, 588 (2013)

T. O. Lopes, D. A. da Silva Filho, A. A. M. Lapis, H. C. B. de Oliveira, Brenno A. D. Neto, "Designed non-symmetrical 4,7-pi-extended-2,1,3-benzothiadiazole derivatives: synthesis guided by DFT predictions", Journal of Physical Organic Chemistry 27, 303 (2014)

C. Ruiz, E. M. Garcia-Frutos, D. A. da Silva Filho, J. T. L. Navarrete, M. C. R. Delgado, B. Gomez-Lor, "Symmetry lowering in triindoles: impact on the electronic and photophysical properties", Journal of Physical Chemistry C 118, 5470 (2014)

Yao-Tsung Fu, D. A. da Silva, G. Sini, A. M. Asiri, S. G. Aziz, C. Risko, J. L. Bredas, "Structure and disorder in squaraine-C60 organic solar cells: a theoretical description of molecular packing and electronic coupling at the donor-acceptor interface", Advanced Functional Materials 24, 3790 (2014)

I. T. Lima, C. Risko, S. G. Aziz, D. A. da Silva Filho, J. L. Bredas, "Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor-acceptor conjugated polymers", Journal of Materials Chemistry C 2, 8873 (2014)

L. Tavares, M. Cadelano, F. Quochi, C. Simbrunner, G. Schwabegger, M. Saba, A. Mura, G. Bongiovanni, D. A. da Silva Filho, W. F. da Cunha, H. G. Rubahn, J. Kjelstrup-Hansen, "Efficient exciton diffusion and resonance-energy transfer in multilayered organic epitaxial nanofibers", Journal of Physical Chemistry 119, 15689 (2015)

P. H. de Oliveira Neto, D. A. da Silva, W. F. da Cunha, P. H. Acioli, G. Magela e Silva, "Limit of exciton diffusion in highly ordered pi-conjugated systems", Journal of Physical Chemistry C 119, 19654 (2015)

A. R. Mota, J. R. Correa, P. H. P. R. Carvalho, N. M. P. de Sousa, H. C. B. de Oliveira, C. C. Gatto, D. A. da Silva, A. L. de Oliveira, B. A. D. Neto, "Synthesis, structure, properties, and bioimaging of a fluorescent nitrogen-linked bisbenzothiadiazole", Journal of Organic Chemistry 81, 2958 (2016)

P. H. de Oliveira Neto, D. A. da Silva, L. F. Roncaratti, P. H. Acioli, G. M. e Silva, "Low-temperature Seebeck coefficients for polaron-driven thermoelectric effect in organic polymers", Journal of Physical Chemistry A 120, 4923 (2016)

I. T. Lima, A. D. Prado, J. B. L. Martins, P. H. de Oliveira Neto, A. M. Ceschin, W. F. da Cunha, D. A. da Silva, "Improving the description of the optical properties of carotenoids by tuning the long-range corrected functionals", Journal of Physical Chemistry A 120, 4944 (2016)

L. E. de Sousa, L. A. Ribeiro, A. L. A. Fonseca, D. A. da Silva, "Modeling the emission spectra of organic molecules: a competition between Franck-Condon and nuclear ensemble methods", Journal of Physical Chemistry A 120, 5380 (2016)

D. F. S. Machado, T. O. Lopes, I. T. Lima, D. A. da Silva, H. C. B. de Oliveira, "Strong solvent effects on the nonlinear optical properties of Z and E isomers from azo-enaminone derivatives", Journal of Physical Chemistry C 120, 17660 (2016)

T. L. Pereira, L. A. Leal, W. F. da Cunha, R. T. de Sousa, L. A. Ribeiro, D. A. da Silva, "Optimally tuned functionals improving the description of optical and electronic properties of the phthalocyanine molecule", Journal of Molecular Modeling 23, 71 (2017)

R. M. L. D. Ledo, L. A. Leal, P. P. D. Silva, W. F. da Cunha, L. E. de Souza, A. L. A. Fonseca, A. M. Ceschin, D. A. da Silva, L. A. Ribeiro, "Modeling optical properties of polymer-solvent complexes: the chloroform influence on the P3HT and N2200 absorption spectra", Journal of Molecular Modeling 23, 37 (2017)

L. E. de Sousa, A. A. Mamiya, J. Kjelstrup-Hansen, D. A. da Silva, "A joint theoretical and experimental characterization of two acene-thiophene derivatives", Journal of Molecular Modeling 23, 52 (2017)

N. A. Kukhta, D. A. da Silva, D. Volyniuk, J. V. Grazulevicius, G. Sini, "Can fluorenone-based compounds emit in the blue region? Impact of the conjugation length and the ground-state aggregation", Chemistry of Materials 29, 1695 (2017)

L. Almeida Leal, W. F. da Cunha, L. A. Ribeiro, T. L. Pereira, S. M. Blawid, R. T. de Sousa, D. A. da Silva, "Optical and electronic structure description of metal-doped phthalocyanines ", Journal of Molecular Modeling 23, 172 (2017)

L. A. Leal, R. T. de Souza, A. L. A. Fonseca, L. A. Ribeiro, S. Blawid, D. A. da Silva, W. F. da Cunha, "Combined UMC-DFT prediction of electron-hole coupling in unit cells of pentacene crystals ", Journal of Molecular Modeling 23, 153 (2017)

A. S. Prado, L. A. Leal, P. P. de Brito, A. L. A. Fonseca, S. Blawid, A. M. Ceschin, R. H. V. Mourão, A. Q. da Silva, D. A. da Silva, L. A. Ribeiro Junior, "Experimental and theoretical description of the optical properties of Myrcia sylvatica essential oil", Journal of Molecular Modeling 23, 196 (2017)

R. Volpi, A. C. S. Camilo, D. A. da Silva, J. T. L. Navarrete, B. Gomez-Lor, M. C. R. Delgado, M. Linares, "Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution", Physical Chemistry Chemical Physics 19, 24202 (2017)