Zobrazeno 1 - 10
of 97
pro vyhledávání: '"Eudes Eterno Fileti"'
Publikováno v:
ACS Omega, Vol 3, Iss 10, Pp 13869-13875 (2018)
Externí odkaz:
https://doaj.org/article/72ebcaee5f494a94b6799be203a06540
Autor:
Eudes Eterno Fileti
Publikováno v:
Biblioteca Digital de Teses e Dissertações da USPUniversidade de São PauloUSP.
As mudanças nas propriedades estruturais, eletrônicas, óticas e magnéticas de moléculas em aglomerados e em meio líquido são apresentadas. Para os aglomerados moleculares tais propriedades foram obtidas usando métodos ab initio tradicionais d
Autor:
Eudes Eterno Fileti
Publikováno v:
Biblioteca Digital de Teses e Dissertações da USPUniversidade de São PauloUSP.
O interesse geral de nosso grupo é estudar sistemas moleculares em fase líquida. Para isto existem vários métodos de simulação. Dentre eles, os mais utilizados são o método Monte Carlo Matropolis e Dinâmica Molecular. Porém ambos necessitam
Publikováno v:
Carbon. 208:102-110
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1753ad1b8fe7892e3904f79f59223348
https://doi.org/10.1016/j.carbon.2023.03.016
https://doi.org/10.1016/j.carbon.2023.03.016
Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes
Autor:
Thaciana Malaspina, Guilherme Colherinhas, Stephen E. Weitzner, Brandon C. Wood, Eudes Eterno Fileti
Publikováno v:
The Journal of Physical Chemistry C. 127:6515-6523
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25e81846d8c7d92203f59a851df41606
https://doi.org/10.1021/acs.jpcc.2c08699
https://doi.org/10.1021/acs.jpcc.2c08699
Autor:
J C Manuel Pinzón, Andresa Messias, Aline M. Pascon, Débora A. C. da Silva, Eudes Eterno Fileti, Débora V. Franco, Hudson Zanin, Leonardo M. Da Silva
Publikováno v:
Materials Advances. 3:611-623
We report here molecular dynamics simulations combined with in situ experimental studies to understand the advantages and disadvantages of replacing conventional (salt-in-water, SiWE) aqueous-based electrolytes with very concentrated (water-in-salt,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a54d3ee2a96908f1d9b7df726b2b881
https://doi.org/10.1039/d1ma00890k
https://doi.org/10.1039/d1ma00890k
Publikováno v:
Physical Chemistry Chemical Physics. 24:336-346
We investigated the structural, dynamic, energetic, and electrostatic properties of electrolytes based on the ion pairs LiCl and Li2SO4. Atomistic molecular dynamics simulations were used to simulate these aqueous electrolytic solutions at two differ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e94c78573cd526b43ea685a386e0ac44
https://doi.org/10.1039/d1cp04259a
https://doi.org/10.1039/d1cp04259a
Autor:
Thaciana Malaspina, Guilherme Colherinhas, Stephen E. Weitzner, Brandon C. Wood, Eudes Eterno Fileti
Publikováno v:
Journal of Molecular Liquids. 383:122097
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e679a51d597d199c267b0d2b2e0a63a
https://doi.org/10.1016/j.molliq.2023.122097
https://doi.org/10.1016/j.molliq.2023.122097
Publikováno v:
The Journal of Physical Chemistry C. 125:2318-2326
Electric double-layer capacitors store energy because of the adsorption of ions on the surface of electrodes. A realistic model to describe the electrolyte–electrode interface is based on the const...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2d1787785d9d936c86509cba65b55c5
https://doi.org/10.1021/acs.jpcc.0c10347
https://doi.org/10.1021/acs.jpcc.0c10347
Autor:
Débora A. C. da Silva, Leonardo R. C. Fonseca, Antenor J. Paulista Neto, Hudson Zanin, Eudes Eterno Fileti, Aline M. Pascon
Publikováno v:
Physical Chemistry Chemical Physics. 22:3906-3913
We report here density functional theory calculations and molecular dynamics atomistic simulations to determine the total capacitance of graphene-modified supercapacitors. The contributions of quantum capacitance to the total capacitance for boron-,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e81cece33aa858a9a25e5fac4cc35c84
https://doi.org/10.1039/c9cp06495h
https://doi.org/10.1039/c9cp06495h