27 citations · 73 across the 8 of their papers we have counts for
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Predicting the Energetic Stabilization of Janus-MoSSe/AlN Heterostructures: A DFT Study
Ramiro M. dos Santos, Marcelo L. Pereira Junior, Luiz F. Roncaratti Junior +1
The packing mechanisms between Janus-MoSSe and Aluminum-Nitride (AlN) sheets were systematically investigated by using Density Function Theory calculations. Results show that the s…
On the Adsorption Mechanism of Caffeine on MAPbI3 Perovskite Surfaces: A Combined UMC--DFT Study
Luiz A. Ribeiro Junior, Raphael M. Tromer, Ramiro M. dos Santos +1
Recently, it was experimentally shown that the performance and thermal stability of the perovskite MAPbI were improved upon the adsorption of a molecular layer of caffeine. In…
Charge Localization and Hopping in a Topologically Engineered GNR
Marcelo Lopes Pereira Junior, Pedro Henrique de Oliveira Neto, Demetrio Antonio da Silva Filho +3
Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor c…
Optoelectronic Properties of Amorphous Carbon-Based Nanotube and Nanoscroll
Raphael M. Tromer, Levi C. Felix, Luiz A. Ribeiro +1
Free-standing monolayer amorphous carbon (MAC) is a pure carbon structure composed of randomly distributed atom rings with different sizes, which was recently synthesized. In this…
Structural and Electronic Properties of Defective AlN/GaN Hybrid Nanostrutures
Ramiro Marcelo dos Santos, Acrisio Lins de Aguiar, Jonathan da Rocha Martins +3
Due to the wide range of possible applications, atomically thin two-dimensional heterostructures have attracted much attention. In this work, using first-principles calculations, w…
Tuning Penta-Graphene Electronic Properties Through Engineered Line Defects
Ramiro Marcelo dos Santos, Leonardo Evaristo de Sousa, Douglas Soares Galvão +1
Penta-graphene is a quasi-two-dimensional carbon allotrope consisting of a pentagonal lattice in which both sp2 and sp3-like carbons are present. Unlike graphene, penta-graphene ex…