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Marcelo Lopes Pereira Júnior
Marcelo Lopes Pereira Júnior
Bestätigte E-Mail-Adresse bei ene.unb.br
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Zitiert von
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Jahr
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
342023
Irida-graphene: A new 2d carbon allotrope
MLP Júnior, WF da Cunha, WF Giozza, RT de Sousa Junior, LAR Junior
FlatChem 37, 100469, 2023
322023
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
272022
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
242022
Bipolaron dynamics in graphene nanoribbons
GG Silva, LAR Junior, MLP Junior, AL de Almeida Fonseca, ...
Scientific Reports 9, 2909, 2019
222019
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
182021
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
162019
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
132019
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
122021
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
122020
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
122019
Thermomechanical insight into the stability of nanoporous graphene membranes
MLP Júnior, LAR Júnior
FlatChem 24, 100196, 2020
112020
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
112020
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
102021
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
102019
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
92020
Elastocaloric effect in graphene kirigami
LA Ribeiro Junior, ML Pereira Junior, AF Fonseca
Nano letters 23 (18), 8801-8807, 2023
82023
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
82023
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
82021
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
82020
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