Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Júlio R. Sambrano"'
Publikováno v:
Química Nova, Vol 37, Iss 8, Pp 1318-1323 (2014)
Structural and electronic properties of titanium dioxide (TiO2) thin films, in anatase phase, were investigated using periodic 2D calculations at density functional theory (DFT) level with B3LYP hybrid functional. The Grimme dispersion correction (DF
Externí odkaz:
https://doaj.org/article/cf30d051c19b490c9f63a2887eafe4e1
Publikováno v:
Química Nova, Vol 27, Iss 1, Pp 10-16 (2004)
Externí odkaz:
https://doaj.org/article/7e939e37de834d9c91a205eed7c32d9c
Publikováno v:
Química Nova, Vol 24, Iss 4, Pp 473-479 (2001)
The adsorption of H and S2- species on Pd (100) has been studied with ab initio, density-functional calculations and electrochemical methods. A cluster of five Pd atoms with a frozen geometry described the surface. The computational calculations were
Externí odkaz:
https://doaj.org/article/7fadc35d375f435ebefe652662360b03
Publikováno v:
Computational Materials Science. 227:112274
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8465eef5dc303a087f7a85b6815b88e
https://doi.org/10.1016/j.commatsci.2023.112274
https://doi.org/10.1016/j.commatsci.2023.112274
Autor:
Efracio Mamani Flores, Victor José Ramirez Rivera, Fredy Mamani Gonzalo, Jose Ordonez-Miranda, Julio R. Sambrano, Mario Lucio Moreira, Maurício Jeomar Piotrowski
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-15 (2024)
Abstract The quest for efficient thermoelectric materials has intensified with the advent of novel Janus monolayers exhibiting exceptional thermoelectric parameters. In this work, we comprehensively investigate the structural, electronic, transport,
Externí odkaz:
https://doaj.org/article/a5eccbb31d31470390ddfe64f65cfb99
Autor:
Kamel Alimi, Claudio Amovilli, Felipe C.T. Antonio, Cassiano M. Aono, Jose J. Benitez, Arianna Binello, Ana Borrego-Sánchez, Sandra E. Brown, Otto V.M. Bueno, Vasily V. Buyadzhi, Norma A. Caballero-Concha, Mark E. Casida, María E. Castro Sánchez, Raissa L.G. Quintino Correa, Mauricio D. Coutinho-Neto, Giancarlo Cravotto, Renato D. da Cunha, Erica de Liandra-Salvador, Esther M.C. de Lima, Aguinaldo R. de Souza, Gabriel L.C. de Souza, Jhonathan R. de Souza, Otávio Aguiar Souza, Mateus M.Z. de Toledo, David Dell’Angelo, Franca M. Floris, Nauan F.S. Gasperin, Alexander V. Glushkov, Salvatore Guccione, Paula Homem-de-Mello, Olga Y. Khetselius, Maria G. Khrenova, Latévi M. Lawson Daku, Ekaterina S. Lokteva, Denis Magero, Liliana Mammino, Francisco J. Melendez Bustamante, Benedetta Mennucci, Penélope Merino-Montiel, Tarek Mestiri, Gabriel S. Mol, Mohammad R. Momeni Taheri, Nelaine Mora-Diez, Nelson H. Morgon, Lisset Noriega, Jose M. Perez-Aguilar, Caio M. Porto, Daniel Rinaldo, Anabel Romero López, C. Ignacio Sainz-Díaz, Júlio R. Sambrano, Miguel A. San-Miguel, Farnaz Alipour Shakib, Alexander N. Sofronkov, Andrey A. Svinarenko, Natalia P. Tarasova, Valentin B. Ternovsky, Cristina Tomasella, Vladimir G. Tsirelson
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::351f43574c4d9c075e7347b0e68bf052
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
Publikováno v:
Carbon Trends, Vol 14, Iss , Pp 100321- (2024)
The race and the discovery of novel two-dimensional (2D) carbon-based materials have been intensified because many are suitable for energy storage systems, thermoelectric devices, and catalysis applications. Therefore, this study introduces to the sc
Externí odkaz:
https://doaj.org/article/cefd508ab1b94ab78ff0d8820265a071
Autor:
Josiane C. Souza, Renan A. P. Ribeiro, Letícia G. da Trindade, Regiane C. de Oliveira, Leonardo D. Costa, Marisa C. de Oliveira, Sergio R. de Lazaro, Julio R. Sambrano, Cleber R. Mendonça, Leonardo de Boni, Fenelon M. L. Pontes, Adilson J. A. de Oliveira, Edson R. Leite, Elson Longo
Publikováno v:
ACS Omega, Vol 6, Iss 42, Pp 28049-28062 (2021)
Externí odkaz:
https://doaj.org/article/11687727a7da4c56a7f18bafb5d110d2
Publikováno v:
Nanomaterials, Vol 12, Iss 23, p 4343 (2022)
Ternary BNC nanotubes were modeled and characterized through a periodic density functional theory approach with the aim of investigating the influence on the structural, electronic, mechanical, and transport properties of the quantity and pattern of
Externí odkaz:
https://doaj.org/article/d64d52c02d484307b86197dcdddd0412