Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Diego Guedes‐Sobrinho"'
Autor:
Rafael Salles Barbosa, Celso Alves do Nascimento Júnior, Alexandre Silva Santos, Maurício Jeomar Piotrowski, Celso Ricardo Caldeira Rêgo, Diego Guedes-Sobrinho, David Lima Azevedo, Alexandre Cavalheiro Dias
Publikováno v:
ACS Omega, Vol 9, Iss 44, Pp 44689-44696 (2024)
Externí odkaz:
https://doaj.org/article/d192652db2b44af39031fcf0385f8931
Autor:
João Paulo Cerqueira Felix, Gabriel Reynald da Silva, Glaucio R. Nagurniak, Alexandre C Dias, Renato P Orenha, Celso R. C. Rêgo, Renato L. T. Parreira, Diego Guedes-Sobrinho, Maurício J. Piotrowski
Publikováno v:
ACS Omega, Vol 9, Iss 39, Pp 41067-41083 (2024)
Externí odkaz:
https://doaj.org/article/aba33ac2051f4ccf88fed8c29135f2e7
Autor:
Luis Octavio de Araujo, Celso R. C. Rêgo, Wolfgang Wenzel, Maurício Jeomar Piotrowski, Alexandre Cavalheiro Dias, Diego Guedes-Sobrinho
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-14 (2024)
Abstract In this first-principles investigation, we explore the polymorphic features of pseudo-cubic alloys, focusing on the impact of mixing organic and inorganic cations on their structural and electronic properties, configurational disorder, and t
Externí odkaz:
https://doaj.org/article/09bd8b99dd5b45999d4d74b4dbe8d644
Autor:
Marcos R. Guassi, Rafael Besse, Maurício J. Piotrowski, Celso R. C. Rêgo, Diego Guedes-Sobrinho, Andréia Luisa da Rosa, Alexandre Cavalheiro Dias
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
Abstract In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional $$\beta$$ β -pnictogen materials—nitrogenene, phosphorene, arsenene, and antimonene—via density functional theory calcu
Externí odkaz:
https://doaj.org/article/94631f87f4b14248b9cf9373406e5113
Autor:
H. Pecinatto, Celso R. C. Rêgo, W. Wenzel, C. A. Frota, B. M. S. Perrone, Maurício J. Piotrowski, Diego Guedes-Sobrinho, Alexandre C. Dias, Cicero Mota, M. S. S. Gusmão, H. O. Frota
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-11 (2023)
Abstract Here, we performed a systematic DFT study assisted by the workflow framework SimStack for the mechanical and thermodynamic properties of the clay mineral lizardite in pristine and six different types of O vacancies configurations. In most ca
Externí odkaz:
https://doaj.org/article/86b336aad39c475b886e4a980523fcbc
Autor:
Diego Guedes-Sobrinho, Danilo Neves Silveira, Luis O. de Araujo, Jônatas Favotto Dalmedico, W. Wenzel, Y. Pramudya, Maurício J. Piotrowski, Celso R. C. Rêgo
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-11 (2023)
Abstract Two-dimensional hybrid lead iodide perovskites based on methylammonium (MA) cation and butylammonium (BA) organic spacer—such as $${\hbox {BA}_{2}\hbox {MA}_{n-1}\hbox {Pb}_{n}\hbox {I}_{3n+1}}$$ BA 2 MA n - 1 Pb n I 3 n + 1 —are one of
Externí odkaz:
https://doaj.org/article/d8d3b6596eae4f10b14ba3c2f8eb9c86
Autor:
Luis Octavio de Araujo, Celso R. C. Rêgo, W. Wenzel, Danilo N. Silveira, Maurício J. Piotrowski, Fernando P. Sabino, Yohanes Pramudya, Diego Guedes‐Sobrinho
Publikováno v:
Journal of Computational Chemistry. 44:1395-1403
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::518218f698602b3a1c00d97e473bb0b2
https://doi.org/10.1002/jcc.27094
https://doi.org/10.1002/jcc.27094
Autor:
João P. C. S. Felix, Krys E. A. Batista, Wesley O. Morais, Glaucio R. Nagurniak, Renato P. Orenha, Celso R. C. Rêgo, Diego Guedes‐Sobrinho, Renato L. T. Parreira, Mateus M. Ferrer, Maurício J. Piotrowski
Publikováno v:
Journal of computational chemistryREFERENCES.
Gold and silver subnanoclusters with few atoms are prominent candidates for catalysis-related applications, primarily because of the large fraction of lower-coordinated atoms exposed and ready to interact with external chemical species. However, an i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57c39e32399d2876142060d2206a0a15
https://pubmed.ncbi.nlm.nih.gov/36576316
https://pubmed.ncbi.nlm.nih.gov/36576316
Publikováno v:
The Journal of Physical Chemistry Letters. 12:7245-7251
We quantified the bulk Rashba splitting and suppression in polymorphs of MA(Pb, Sn, Ge, or Si)I3 perovskites. The low-computational-cost DFT-1/2 quasiparticle correction was performed for all structures, combined with the inclusion of spin-orbit coup
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3dddf22bf387376cc3e148392b659674
https://doi.org/10.1021/acs.jpclett.1c02048
https://doi.org/10.1021/acs.jpclett.1c02048
The effect of different energy portions on the 2D/ 3D stability swapping for 13-atom metal clusters†
Autor:
Diego Guedes-Sobrinho, Renato P. Orenha, Renato L. T. Parreira, Glaucio R. Nagurniak, Gabriel Reynald Da Silva, Maurício J. Piotrowski
Publikováno v:
Repositório Institucional da Universidade Cruzeiro do Sul
Universidade Cruzeiro do Sul (UNICSUL)
instacron:UNICSUL
Universidade Cruzeiro do Sul (UNICSUL)
instacron:UNICSUL
The complexity of Cu13, Ag13, and Au13 coinage-metal clusters was investigated through their energy contributions via a density functional theory study, considering improvements in the PBE functional, such as van der Waals (vdW) corrections, spin–o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6dfa4b46d1a2d5482cd1b4b1977c925e
https://repositorio.cruzeirodosul.edu.br/handle/123456789/3933
https://repositorio.cruzeirodosul.edu.br/handle/123456789/3933
