activity
20222024
most citedA Computational Study On the Mechanical Properties of Pentahexoctite Single-layer: Combining DFT and Classical Molecular Dynamics Simulations

8 citations · 16 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mes-hall20248 cited

Enhanced Elastocaloric Effects in γ-graphyne

Guilherme B. Kanegae, Marcelo L. Pereira Junior, Douglas S. Galvão +2

The global emphasis on sustainable technologies has become a paramount concern for nations worldwide. Specifically, numerous sustainable methods are being explored as promising alt…

cond-mat.mtrl-sci2024

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope

K. A. L. Lima, D. A. da Silva, G. D. Amvame Nze +3

Two-dimensional (2D) carbon materials have been intensively investigated because of their distinctive structural framework and electronic behaviors as alternatives in energy conver…

cond-mat.mtrl-sci2023

Unveiling a Novel Silicene-Like Material: A DFT Study on Pentahexoctite-Silicon and Its Optoelectronic Characteristics

K. A. L. Lima, L. A. Ribeiro

Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic a…

cond-mat.mtrl-sci20228 cited

A Computational Study On the Mechanical Properties of Pentahexoctite Single-layer: Combining DFT and Classical Molecular Dynamics Simulations

W. H. S. Brandão, A. L. Aguiar, L. A. Ribeiro Júnior +2

Studies aimed at designing new allotropic forms of carbon have received much attention. Recently, a new 2D graphene-like allotrope named Pentahexoctite was theoretically proposed.…