Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Júnior, Luiz A. Ribeiro"'
A recent breakthrough has been achieved by synthesizing monolayer amorphous carbon (MAC), which introduces a material with unique optoelectronic properties. Here, we used ab initio (DFT) molecular dynamics simulations to study silicon and germanium M
Externí odkaz:
http://arxiv.org/abs/2406.13769
Publikováno v:
Vol 37, page 107183, 2023
The biphenylene network (BPN) is a notable achievement in recent fabrication endeavors for conceiving new 2D materials. The stability of its boron nitride counterpart, BN-BPN, has been confirmed through numerical investigations. In this study, we con
Externí odkaz:
http://arxiv.org/abs/2306.11881
Kirigami, a traditional Japanese art of paper-cutting, has recently been explored for its elastocaloric effect (ECE) in kirigami-based materials (KMs), where applying strain induces temperature changes. In this study, we investigate the ECE in a nano
Externí odkaz:
http://arxiv.org/abs/2306.10353
Autor:
Junior, Marcelo L. Pereira, De Sousa, José. M., Brandão, Wjefferson H. S., Galvão, Douglas. S., Fonseca, Alexandre F., Junior, Luiz A. Ribeiro
Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of MeG in its monolayer and nanotube topologies. In this work, we conduct
Externí odkaz:
http://arxiv.org/abs/2303.07518
Autor:
Tromer, Raphael M., Junior, Marcelo L. Pereira, Lima, Kleuton A. L., Fonseca, Alexandre F., da Silva, Luciano R., Galvao, Douglas S., Junior, Luiz A. Ribeiro
Due to the success achieved by graphene, several 2D carbon-based allotropes were theoretically predicted and experimentally synthesized. We used density functional theory and reactive molecular dynamics simulations to investigate the mechanical, stru
Externí odkaz:
http://arxiv.org/abs/2302.08364
Closely packed quasi-hexagonal and quasi-tetragonal crystalline phase of C$_{60}$ molecules (named qHPC$_{60}$) was recently synthesized. Here, we used DFT simulations to investigate the electronic, optical, and mechanical properties of qHPC$_{60}$ m
Externí odkaz:
http://arxiv.org/abs/2207.01663
Autor:
Júnior, Marcelo Lopes Pereira, Júnior, Luiz Antonio Ribeiro, Galvão, Douglas Soares, de Sousa, José Moreira
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a carbon nano
Externí odkaz:
http://arxiv.org/abs/2105.01756
Graphene-based nanofolds (GNFs) are edge-connected 2D stacked monolayers originated from single-layer graphene. Graphene-based nanoscrolls (GNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form.
Externí odkaz:
http://arxiv.org/abs/2104.00097
Recently, laser-assisted chemical vapor deposition was used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC). MAC is a pure carbon structure composed of randomly distributed five, six, seven, and eight atom rings
Externí odkaz:
http://arxiv.org/abs/2012.08059
Autor:
Santos, Ramiro M. dos, da Cunha, Wiliam F., Giozza, William F., Júnior, Rafael T. de Sousa, Júnior, Luiz F. Roncaratti, Júnior, Luiz A. Ribeiro
Publikováno v:
Chemical Physics Letters Volume 771, 2021, 138495
The electronic and structural properties of Janus MoSSe/MoX$_2$ (X=S,Se) in-plane heterojunctions, endowed with single-atom vacancies, were studied using density functional theory calculations. The stability of these structures was verified from cohe
Externí odkaz:
http://arxiv.org/abs/2012.05953