Zobrazeno 1 - 10
of 60
pro vyhledávání: '"Wanderlã L. Scopel"'
Autor:
Alan R. Ambrozio, Thierry R. Lopes, Daniel F. Cipriano, Fábio A.L. de Souza, Wanderlã L. Scopel, Jair C.C. Freitas
Publikováno v:
Journal of Magnetic Resonance Open, Vol 14, Iss , Pp 100091- (2023)
The effects caused by the interaction with graphene-like layers on the 1H NMR spectra of water molecules adsorbed onto porous carbon materials were investigated by a combination of shielding calculations using density functional theory (DFT) and 1H N
Externí odkaz:
https://doaj.org/article/a8640c418b894bfe91787554d64a9b76
Autor:
Tainara L. G. Costa, Mariana A. Vieira, Gustavo R. Gonçalves, Daniel F. Cipriano, Valdemar Lacerda, Arlan S. Gonçalves, Wanderlã L. Scopel, Abner de Siervo, Jair C. C. Freitas
Publikováno v:
Physical Chemistry Chemical Physics. 25:6927-6943
DFT calculations and solid-state NMR spectroscopy are a powerful combination to provide a detailed characterization of phosphorus-containing graphene oxides with outstanding properties for diverse applications.
Autor:
F.A.L. de Souza, F.N.N. Pansini, L.F. Filho, Alan R. Ambrozio, J.C.C. Freitas, Wanderlã L. Scopel
Publikováno v:
Carbon. 191:374-383
Autor:
Lucas Prett Campagna, Marcos Veríssimo-Alves, Debora C. M. Rodrigues, Marcelo F. C. Albuquerque Filho, Pedro Venezuela, Wanderlã L. Scopel, Rodrigo G. Amorim
Publikováno v:
Materials Advances. 3:4641-4648
Two dimensional GeP3 and blue P were investigated as a thermoelectric material using the Boltzmann model. Our study suggested that GeP3 is a good candidate as a room temperature thermoelectric material.
Autor:
Erik F. Procopio, Juan Jose Palacios, Nathanael N. Batista, Wendel S. Paz, Wanderlã L. Scopel, Fábio A. L. de Souza
Publikováno v:
ACS Applied Nano Materials. 4:8154-8161
Autor:
Jefferson E. Silveira, Aramille S. de Souza, Fernando N.N. Pansini, Alyson R. Ribeiro, Wanderlã L. Scopel, Juan A. Zazo, Jose A. Casas, Wendel S. Paz
Publikováno v:
Separation and Purification Technology. 306:122570
Publikováno v:
Physical Review B. 105
Publikováno v:
Physical Chemistry Chemical Physics. 22:3520-3526
In this work, we have investigated the effects of in-plane mechanical strains on the electronic properties of single-layer α-In2Se3 by means of density functional theory (DFT) calculations. Our findings reveal that this system exhibits a semiconduct
Publikováno v:
Physica E: Low-dimensional Systems and Nanostructures. 141:115242
Autor:
Igor S. S. de Oliveira, João B. Oliveira, Dominike P. de A. Deus, Roberto H. Miwa, Wanderlã L. Scopel
Publikováno v:
Physical Review Materials. 5
Intercalation of foreign atoms in two-dimensional (2D) hosts has been considered a quite promising route to engineer the electronic and magnetic properties in 2D platforms. In the present study, we performed a first-principles theoretical investigati