List of works - Demetrio Da Silva Filho

A DFT study of a set of natural dyes for organic electronics.

scientific article published on 17 November 2017

A joint theoretical and experimental characterization of two acene-thiophene derivatives.

scientific article

Charge transport in organic semiconductors

scientific article published on 23 March 2007

Combined UMC- DFT prediction of electron-hole coupling in unit cells of pentacene crystals.

scientific article published on 4 April 2017

Comparison of thiophene-pyrrole oligomers with oligothiophenes: a joint experimental and theoretical investigation of their structural and spectroscopic properties.

scientific article published in June 2010

Cyclometallated Pt(II) and Pd(II) complexes with a trithiacrown ligand.

scientific article published on 15 January 2008

Dynamical exciton decay in organic materials: the role of bimolecular recombination

scientific article published on 01 January 2019

Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors

scientific article published on 01 August 2006

Exciton Diffusion in Organic Nanofibers: A Monte Carlo Study on the Effects of Temperature and Dimensionality

scientific article published in Scientific Reports

Hemilabile bonding of 1-oxa-4,7-dithiacyclononane in cyclometallated palladium(ii) complexes

scientific article published on 11 July 2019

Hole- and electron-vibrational couplings in oligoacene crystals: intramolecular contributions.

scientific article published on 20 December 2002

Improving the Description of the Optical Properties of Carotenoids by Tuning the Long-Range Corrected Functionals.

scientific article published on 25 February 2016

Intramolecular reorganization energy in zinc phthalocyanine and its fluorinated derivatives: a joint experimental and theoretical study

scientific article published on 01 July 2013

Investigation of the torsional barrier of EDOT using molecular mechanics and DFT methods

scientific article published on 13 August 2014

Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers

scientific article published on 01 March 2016

Modeling optical properties of polymer-solvent complexes: the chloroform influence on the P3HT and N2200 absorption spectra

scientific article published on 24 January 2017

Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers

article

Modeling the Emission Spectra of Organic Molecules: A Competition between Franck-Condon and Nuclear Ensemble Methods

scientific article published on 15 April 2016

N- and P-channel transport behavior in thin film transistors based on tricyanovinyl-capped oligothiophenes.

scientific article published in August 2006

Optical and electronic structure description of metal-doped phthalocyanines

scientific article published on 28 April 2017

Preparation and characterization of pi-stacking quinodimethane oligothiophenes. Predicting semiconductor behavior and bandwidths from crystal structures and molecular orbital calculations.

scientific article published in November 2004

Structural Modification Influences the Characteristics of Langmuir Monolayers from Aromatic Carboxylic Acids

scientific article published on 01 July 2001

Theoretical Characterization of Charge Transport in One-Dimensional Collinear Arrays of Organic Conjugated Molecules

scientific article published on 9 March 2010

Tuning the charge-transport parameters of perylene diimide single crystals via end and/or core functionalization: a density functional theory investigation

scientific article published on 01 March 2010

Vibronic coupling in the ground and excited states of oligoacene cations

scientific article published on 01 September 2006

List of works by Demetrio Da Silva Filho