Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Luciano Almeida Leal"'
Publikováno v:
Synthetic Metals. 247:276-284
The mobility of charge carriers in polymeric semiconductors is limited by their motion between individual planar conjugated chromophores and is affected by aging. Direct mobility measurements require extraction of charges generated by injection, elec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dc0c1494235e022e2a48249622c202ac
https://doi.org/10.1016/j.synthmet.2018.12.017
https://doi.org/10.1016/j.synthmet.2018.12.017
Autor:
Annika Richter, Rosana Blawid, Rajesh Kumar Chellappan, S. P. Cooil, Leander Michels, Stefan Blawid, Vilany Santana, Luciano Almeida Leal, Justin W. Wells, Håkon I. Røst, Geraldo José da Silva, Alenka Behsen, Kristin Høydalsvik Wells
Publikováno v:
14169-14177
RSC Advances
RSC Advances
An optical, electronic and structural characterisation of three natural dyes potentially interesting for application in organic solar cells, curcumin (C21H20O6), bixin (C25H30O4) and indigo (C16H10N2O2), was performed. X-Ray Diffraction (XRD) measure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::36f4d9ecb25ba426cbcacf2cc0c0baf4
https://hdl.handle.net/11250/2978494
https://hdl.handle.net/11250/2978494
Autor:
Valter H. Carvalho-Silva, Wiliam Ferreira da Cunha, Luciano Almeida Leal, Ricardo Gargano, Amanda Bárbara Mendes de Aquino, Luiz Antonio Ribeiro Junior
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 205:179-185
The Kr-CH3OH (Krypton-Methanol) system has several technological applications, such as the determination of diffusivity coefficients, their use in the development of detectors and combustion techniques among others. We report an extensive theoretical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::631ed1d6a5bf777379e051a5159288cb
https://doi.org/10.1016/j.saa.2018.06.110
https://doi.org/10.1016/j.saa.2018.06.110
Publikováno v:
Computational and Theoretical Chemistry. 1171:112645
Recently, Povie et al. synthesized and isolated the (12) cyclophenacene (carbon nanobelt). Inspired by this synthesis, this work proposes a new molecule based on carbon nanobelt and composed by silicon carbide (SiC nanobelt). An extensive theoretical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb1181ec6a6f82c2dcc9024b134fd497
https://doi.org/10.1016/j.comptc.2019.112645
https://doi.org/10.1016/j.comptc.2019.112645
Autor:
Luciano Almeida Leal, Ricardo Gargano, Geraldo Magela e Silva, Luiz F. Roncaratti, Wiliam Ferreira da Cunha
Publikováno v:
Molecular Physics. :1-6
Based on ab initio calculations, our research group has built an analytical ground-state potential energy surface (PES) for hydrogen peroxide– noble gas (Ng) interactions, such as H2O2–He, H2O2–Ne, H2O2–Ar, H2O2–Kr, and H2O2–Xe complexes.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e95552675311014663290992584a6913
https://doi.org/10.1080/00268976.2015.1078507
https://doi.org/10.1080/00268976.2015.1078507
Autor:
Wiliam Ferreira da Cunha, A.M. Ceschin, Bernhard Georg Enders Neto, Patrick Pascoal de Brito, Leonardo Evaristo de Sousa, Luciano Almeida Leal, Luiz Antonio Ribeiro, Demetrio A. da Silva Filho
Publikováno v:
Journal of Molecular Modeling. 24
The optical properties of systems composed of the polymers PolyeraActivInk™ N2200 and P3HT are experimentally and theoretically investigated using UV-Vis spectroscopy and time-dependent density functional theory calculations, respectively. From a t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aadb3f40b9b1394aa81684439a64bd5f
https://doi.org/10.1007/s00894-017-3542-2
https://doi.org/10.1007/s00894-017-3542-2
Autor:
Wiliam Ferreira da Cunha, Stefan Blawid, Luiz Antonio Ribeiro Junior, Rafael Timóteo de Sousa Júnior, Tamires Lima Pereira, Luciano Almeida Leal, Demetrio A. da Silva Filho
Publikováno v:
Journal of Molecular Modeling. 23
Phthalocyanines represent a crucial class of organic compounds with high technological appeal. By doping the center of these systems with metals, one obtains the so-called metal-phthalocyanines, whose property of being an effective electron donor all
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af0c4b19c6900d00ec31e86c4b752e2f
https://doi.org/10.1007/s00894-017-3338-4
https://doi.org/10.1007/s00894-017-3338-4
Autor:
Demetrio A. da Silva Filho, Luciano Almeida Leal, Antonio Luciano de Almeida Fonseca, Rafael Timóteo de Souza Júnior, Wiliam Ferreira da Cunha, Stefan Blawid, Luiz Antonio Ribeiro Junior
Publikováno v:
Journal of Molecular Modeling. 23
Pentacene is an organic semiconductor that draws special attention from the scientific community due to the high mobility of its charge carriers. As electron-hole interactions are important aspects in the regard of such property, a computationally in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::180c055114466c7ca51f2892a47c9a18
https://doi.org/10.1007/s00894-017-3317-9
https://doi.org/10.1007/s00894-017-3317-9
Publikováno v:
Revista Processos Químicos. 9:94-96
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7bd53a6113d6ddc1398ef0c2771d54c5
https://doi.org/10.19142/rpq.v9i18.265
https://doi.org/10.19142/rpq.v9i18.265
Autor:
Demetrio A. da Silva Filho, Rafael Timóteo de Sousa Júnior, Tamires Lima Pereira, Luciano Almeida Leal, Luiz Antonio Ribeiro Junior, Wiliam Ferreira da Cunha
Publikováno v:
Journal of molecular modeling. 23(3)
By means of Density functional theory and time-dependent density functional theory calculations, we present a comprehensive investigation on the influence of different functional schemes on electronic and optical properties of the phthalocyanine mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc2b953f0cc6e38b452ad4b1e4c6c328
https://pubmed.ncbi.nlm.nih.gov/28197842
https://pubmed.ncbi.nlm.nih.gov/28197842