Encontrados 13 documentos, a visualizar página 1 de 2
Designing new quinoline-based organic photosensitizers for dye-sensitized solar...
dos Santos, Giovanny Carvalho [UNESP]; Oliveira, Eliezer Fernando; Lavarda, Francisco Carlos [UNESP]; da Silva-Filho, Luiz Carlos [UNESP]Made available in DSpace on 2019-10-06T17:03:37Z (GMT). No. of bitstreams: 0 Previous issue date: 2019-03-01; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq); In this work, 27 new quinoline-derivative dyes were proposed, and their geometries, electronic structures, and absorption spectra were investigated using density functiona...
Electrochemical oxidation of sulfamethazine on a glassy carbon electrode modifi...
Cesarino, Ivana [UNESP]; Simoes, Rafael Plana [UNESP]; Lavarda, Francisco Carlos [UNESP]; Batagin-Neto, Augusto [UNESP]Made available in DSpace on 2018-11-26T16:27:45Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-20; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq); Center for Scientific Computing (NCC/GridUNESP) of Sao Paulo State University (UNESP); This work presents a comprehensive investigation of the oxidation mechanism of sulfa...
Theoretical-Experimental Photophysical Investigations of the Solvent Effect on ...
dos Santos, Giovanny Carvalho [UNESP]; Servilha, Roberta Oliveira [UNESP]; de Oliveira, Eliézer Fernando [UNESP]; Lavarda, Francisco Carlos [UNESP]Made available in DSpace on 2018-12-11T17:11:43Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-09-01; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq); This paper describes the investigations on the solvatochromic effect and the photophysical properties of quinoline derivatives, compounds with potential applicability in o...
Electrochemical oxidation of sulfamethazine on a glassy carbon electrode modifi...
Cesarino, Ivana [UNESP]; Simões, Rafael Plana [UNESP]; Lavarda, Francisco Carlos [UNESP]; Batagin-Neto, Augusto [UNESP]Made available in DSpace on 2018-12-11T17:00:41Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-20; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); This work presents a comprehensive investigation of the oxidation mechanism of sulfamethazine (SMZ) combining electrochemical experiments and molecular modelling techniques. Cyclic voltammetry and differential pulse voltammetry experiments w...
Modifying electronic properties of ICBA through chemical substitutions for sola...
Oliveira, Eliezer Fernando [UNESP]; Silva, Lucas Castorino [UNESP]; Lavarda, Francisco Carlos [UNESP]Made available in DSpace on 2018-12-11T17:31:26Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-08-01; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); Fullerene derivatives are the most widely used type of acceptor material in the organic solar cells (OSCs) active layers, but there are still some problems to be overcome, such as increased solubility and adjustment of the frontier electroni...
Design of diblock co-oligomers as low bandgap small molecules for organic solar...
Oliveira, Eliezer Fernando [UNESP]; Lavarda, Francisco Carlos [UNESP]Made available in DSpace on 2018-12-11T17:32:16Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-12-12; Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); The properties of a particular kind of small molecule that is built from two oligomers of different monomers, i.e. a diblock co-oligomer, as the electron donor in the active layer of organic solar cells are investigated theoretically. For th...
Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A...
Oliveira, Eliezer Fernando [UNESP]; Shi, Junqing; Lavarda, Francisco Carlos [UNESP]; Lüer, Larry; Milián-Medina, Begoña; Gierschner, JohannesMade available in DSpace on 2018-12-11T17:33:14Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-07-21; Federación Española de Enfermedades Raras; Ministerio de Economía y Competitividad; A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to...
Calculation of low bandgap homopolymers: Comparison of TD-DFT methods with expe...
Oliveira, Eliezer Fernando [UNESP]; Roldao, Juan Carlos [UNESP]; Milián-Medina, Begoña; Lavarda, Francisco Carlos [UNESP]; Gierschner, JohannesMade available in DSpace on 2018-12-11T17:26:45Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-02-01; The performance of different DFT functionals (B3LYP, BHLYP, CAM-B3LYP, M06HF) on the prediction of vertical transition energies Evert of low bandgap homopolymers is tested against the experimentally available oligomer series (thienopyrazines and thienothiophenes). This allows for a detailed and accurate...
Electronic structure of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) ...
Roldao, Juan Carlos [UNESP]; Oliveira, Eliezer Fernando [UNESP]; Lavarda, Francisco Carlos [UNESP]Made available in DSpace on 2018-12-11T17:27:46Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-06-01; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES); Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP); Among the new materials currently employed as electron donor element in active layers of organic solar cells (OSCs), PTB7 holds the best results. It has been extensively st...
Reorganization energy for hole and electron transfer of poly(3-hexylthiophene) ...
Oliveira, Eliezer Fernando [UNESP]; Lavarda, Francisco Carlos [UNESP]Made available in DSpace on 2018-12-11T17:28:57Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-09-02; Poly(3-hexylthiophene) (P3HT) is a common material used as electron donor element in active layers of organic solar cells. Previous studies have shown that is possible to improve the electronic properties of the P3HT through chemical substitutions in the empty beta-position of the thiophene rings; howev...