Mechanical, electronic, and optical properties of 8-16-4 graphyne: A 2d carbon allotrope with dirac cones RM Tromer, ML Pereira Júnior, KA L. Lima, AF Fonseca, LR da Silva, ... The Journal of Physical Chemistry C 127 (25), 12226-12234, 2023 | 34 | 2023 |
Irida-graphene: A new 2d carbon allotrope MLP Júnior, WF da Cunha, WF Giozza, RT de Sousa Junior, LAR Junior FlatChem 37, 100469, 2023 | 32 | 2023 |
On the mechanical properties and fracture patterns of the nonbenzenoid carbon allotrope (biphenylene network): a reactive molecular dynamics study ML Pereira, WF Da Cunha, RT De Sousa, GDA Nze, DS Galvão, ... Nanoscale 14 (8), 3200-3211, 2022 | 27 | 2022 |
Thermal stability and fracture patterns of a recently synthesized monolayer fullerene network: A reactive molecular dynamics study LAR Junior, MLP Junior, WF Giozza, RM Tromer, DS Galvão Chemical Physics Letters 807, 140075, 2022 | 24 | 2022 |
Bipolaron dynamics in graphene nanoribbons GG Silva, LAR Junior, MLP Junior, AL de Almeida Fonseca, ... Scientific Reports 9, 2909, 2019 | 22 | 2019 |
O2 adsorption on defective Penta-Graphene lattices: A DFT study KAL Lima, MLP Júnior, FF Monteiro, LF Roncaratti, LAR Júnior Chemical Physics Letters 763, 138229, 2021 | 18 | 2021 |
Stationary polaron properties in organic crystalline semiconductors MLP Junior, RT de Sousa Júnior, GM e Silva, LAR Júnior Physical Chemistry Chemical Physics 21 (5), 2727-2733, 2019 | 16 | 2019 |
Modeling polaron diffusion in oligoacene-like crystals ML Pereira Jr, RT de Sousa Jr, GM e Silva, LA Ribeiro Jr The Journal of Physical Chemistry C 123 (8), 4715-4720, 2019 | 13 | 2019 |
A reactive molecular dynamics study on the mechanical properties of a recently synthesized amorphous carbon monolayer converted into a nanotube/nanoscroll MLP Junior, WF da Cunha, DS Galvão, LAR Junior Physical chemistry chemical physics 23 (15), 9089-9095, 2021 | 12 | 2021 |
On the Elastic Properties and Fracture Patterns of MoX2 (X = S, Se, Te) Membranes: A Reactive Molecular Dynamics Study ML Pereira Júnior, CM Viana de Araújo, JM De Sousa, ... Condensed Matter 5 (4), 73, 2020 | 12 | 2020 |
Stationary and Dynamical Properties of Polarons in Anisotropic C60-Crystals ML Pereira Jr, WF da Cunha, RT de Sousa Jr, GM e Silva, LA Ribeiro Jr The Journal of Physical Chemistry C 123 (22), 13410-13418, 2019 | 12 | 2019 |
Thermomechanical insight into the stability of nanoporous graphene membranes MLP Júnior, LAR Júnior FlatChem 24, 100196, 2020 | 11 | 2020 |
Transport of quasiparticles in coronene-based graphene nanoribbons MLP Júnior, BGE Neto, WF Giozza, RTS Júnior, GM e Silva, LAR Júnior Journal of Materials Chemistry C 8 (35), 12100-12107, 2020 | 11 | 2020 |
Evaluation of Peppermint Leaf Flavonoids as SARS-CoV-2 Spike Receptor-Binding Domain Attachment Inhibitors to the Human ACE2 Receptor: A Molecular Docking Study ML Júnior, RT Junior, GD Nze, WF Giozza, LA Júnior arXiv preprint arXiv:2102.12651, 2021 | 10 | 2021 |
Stability conditions of armchair graphene nanoribbon bipolarons AVP Abreu, LA Ribeiro Junior, GG Silva, ML Pereira Junior, BG Enders, ... Journal of Molecular Modeling 25, 1-6, 2019 | 10 | 2019 |
Temperature effects on the fracture dynamics and elastic properties of popgraphene membranes ML Pereira Junior, LA Ribeiro Junior, WHS Brandão, AL Aguiar, ... ChemPhysChem 21 (17), 1918-1924, 2020 | 9 | 2020 |
Elastocaloric effect in graphene kirigami LA Ribeiro Junior, ML Pereira Junior, AF Fonseca Nano letters 23 (18), 8801-8807, 2023 | 8 | 2023 |
On the mechanical, electronic, and optical properties of the boron nitride analog for the recently synthesized biphenylene network: a DFT study FF Monteiro, WF Giozza, RTS Júnior, PH de Oliveira Neto, LAR Júnior, ... Journal of Molecular Modeling 29 (7), 215, 2023 | 8 | 2023 |
Charge localization and hopping in a topologically engineered graphene nanoribbon ML Pereira Júnior, PH de Oliveira Neto, DA da Silva Filho, LE de Sousa, ... Scientific Reports 11 (1), 5142, 2021 | 8 | 2021 |
On the elastic properties of single-walled phagraphene nanotubes MLP Júnior, JM De Sousa, WHS Brandao, AL Aguiar, RA Bizao, ... Chemical physics letters 756, 137830, 2020 | 8 | 2020 |