Computational insights into popsilicene as a new planar silicon allotrope composed of 5–8–5 rings von Lima, K. A. L., da Silva, D. A., Mendonça, F. L. L., Gargano, R., Ribeiro Junior, L. A.

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Proposing TODD-graphene as a novel porous 2D carbon allotrope designed for superior lithium-ion battery efficiency von Santos, E. A. J., Lima, K. A. L., Ribeiro Junior, L. A.

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On the mechanical, electronic, and optical properties of the boron nitride analog for the recently synthesized biphenylene network: a DFT study von Monteiro, F. F., Giozza, W. F., Júnior, R. T. de Sousa, de Oliveira Neto, P. H., Júnior, L. A. Ribeiro, Júnior, M. L. Pereira

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PHOTH-graphene: a new 2D carbon allotrope with low barriers for Li-ion mobility von Santos, E. A. J., Lima, K. A. L., Mendonça, F. L. L., Silva, D. A. da, Giozza, W. F., Junior, L. A. Ribeiro

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Lattice thermal conductivity of 2D nanomaterials: a simple semi-empirical approach von Tromer, R. M, Felix, I. M, Pereira, L. F. C, da Luz, M. G. E, Junior, L. A. Ribeiro, Galvão, D. S

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Insights into the DHQ-BN: mechanical, electronic, and optical properties von Lopes Lima, K. A., Lopes Mendonça, F. L., Giozza, W. F., de Sousa Junior, R. T., Ribeiro Junior, L. A.

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Quantum biochemical analysis of the TtgR regulator and effectors von de Carvalho Matias, E. G., Bezerra, K. S., Costa, A. H. Lima, Clemente Junior, W. S., Oliveira, J. I. N., Ribeiro Junior, L. A., Galvão, D. S., Fulco, U. L.

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On the structural, electronic, and optical properties of L-histidine crystal: a DFT study von Pereira, F. A. R., Macedo-Filho, A., Silva, A. M., Frazão, N. F., Sarmento, R. G., Lima, K. A. L., Melo, J. J. S., Pereira Junior, M. L., Ribeiro Junior, L. A., Freire, V. N.

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On the mechanical properties and fracture patterns of the nonbenzenoid carbon allotrope (biphenylene network): a reactive molecular dynamics study von Pereira, M. L, da Cunha, W. F, de Sousa, R. T, Amvame Nze, G. D, Galvão, D. S, Ribeiro, L. A

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Dynamical formation of graphene and graphane nanoscrolls von Pereira Júnior, M.L., Ribeiro Júnior, L.A., Galvão, D.S., De Sousa, J.M.

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Exploring wide gap semiconductor characteristics in α-pinene crystals: insights from density functional theory von Santos, T. A., Marques, R. B., Silva, A. M., Martins, E. P. S., Júnior, L. A. Ribeiro, Júnior, M. L. Pereira, Macedo-Filho, A.

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Dynamics and structural transformations of carbon onion-like structures under high-velocity impacts von Pereira Júnior, M.L., da Cunha, W.F., de Sousa Junior, R.T., Amvame Nze, G.D., Galvão, D.S., Ribeiro Júnior, L.A.

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A Computational Study On the Mechanical Properties of Pentahexoctite Single-layer: Combining DFT and Classical Molecular Dynamics Simulations von Brandão, W H S, Aguiar, A L, Ribeiro Júnior, L A, Galvão, D S, De Sousa, J M

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On the Elastic Properties and Fracture Patterns of MoX2 (X = S, Se, Te) Membranes: A Reactive Molecular Dynamics Study von Pereira Júnior, M L, C M Viana de Araújo, de Sousa, J M, R T de Sousa Júnior, L F Roncaratti Júnior, Giozza, W F, Ribeiro Júnior, L A

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Large polarons in two-dimensional fullerene networks: the crucial role of anisotropy in charge transport von Cassiano, T. S. A, Pereira, M. L, e Silva, G. M, de Oliveira Neto, P. H, Ribeiro, L. A

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A DFT study on the mechanical, optical, and electronic properties of (Ga,Al)N counterparts of T-Graphene von Lima, K.A.L., Monteiro, F.F., Santos, E.J.A., Giozza, W.F., Gargano, R., Ribeiro, L.A.

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On the elastic properties of single-walled phagraphene nanotubes von Júnior, M.L. Pereira, De Sousa, J.M., Brandão, W.H.S., Aguiar, A.L., Bizao, R.A., Júnior, L.A. Ribeiro, Galvão, D.S.

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A computational study on the mechanical properties of Pentahexoctite single-layer: Combining DFT and classical molecular dynamics simulations von Brandão, W.H.S., Aguiar, A.L., Ribeiro, L.A., Galvão, D.S., De Sousa, J.M.

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Irida-graphene: A new 2D carbon allotrope von Pereira Júnior, M.L., da Cunha, W.F., Giozza, W.F., de Sousa Junior, R.T., Ribeiro Junior, L.A.

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2D Porphyrazine: A New Nanoporous Material von Tromer, R M, Pereira Junior, M L, Ribeiro Junior, L A, Galvão, D S

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