24 citations · 70 across the 18 of their papers we have counts for
11 papers · 1 filter
Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study
Guilherme S. L. Fabris, Bruno Ipaves, Raphael B. Oliveira +3
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention due to their tunable structural, electronic, and spin-related properties, particu…
Novel 3D Pentagraphene Allotropes: Stability, Electronic, Mechanical, and Optical Properties
I. M. Félix, B. Ipaves, R. B. de Oliveira +5
Carbon-based materials have attracted great attention due to their exceptional structural diversity and wide-ranging applications. Recently, a new two-dimensional carbon allotrope,…
On the Electronic, Mechanical and Optical Properties of Superhard Cross-Linked Carbon Nanotubes (Tubulanes)
Raphael M. Tromer, Bruno Ipaves, Marcelo L. Pereira Junior +3
We have investigated the electronic, optical, and mechanical properties of six structures belonging to the Tubulanes-cross-linked carbon nanotube family. Our results highlight the…
Nanoscale mechanics and ultralow Friction of natural 2D silicates: Biotite and Rhodonite
Surbhi Slathia, Manoj Tripathi, Raphael Benjamim de Oliveira +12
Two-dimensional (2D) silicates have emerged as a promising class of ultrathin materials, expanding the landscape of 2D systems beyond conventional van der Waals crystals. Their uni…
All Photonic Isolator using Atomically Thin (2D) Bismuth Telluride (Bi2Te3)
Saswata Goswami, Bruno Ipaves, Juan Gomez Quispe +9
This study demonstrates that two-dimensional (2D) Bi2Te3 exhibits strong light-matter interaction, enabling a broadband Kerr nonlinear optical response. This characteristic is adva…
Alignment behavior of 2D diopsides (d-silicates) under the influence of an AC electric field
Himakshi Mishra, Surbhi Slathia, Bruno Ipaves +8
Controlling the alignment of two dimensional (2D) materials is crucial for optimizing their electronic and mechanical properties in next generation devices. This study explores how…
Unraveling Mn intercalation and diffusion in NbSe bilayers through DFTB simulations
Bruno Ipaves, Raphael B. de Oliveira, Guilherme da Silva Lopes Fabris +2
Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other eme…
Electronic and Optical Properties of the Recently Synthesized 2D Vivianites (Vivianenes): Insights from First-Principles Calculations
Raphael Benjamim de Oliveira, Bruno Ipaves, Guilherme da Silva Lopes Fabris +5
Vivianite (Fe(PO)8HO) is a naturally occurring layered material with significant environmental and technological relevance. This work presents a comprehensive theor…
Enhancing catalyst activity of two-dimensional CN through doping for the hydrogen evolution reaction
Bruno Ipaves, João F. Justo, James M. de Almeida +2
This study investigates the structural, electronic, and catalytic properties of pristine and doped CN nanosheets as potential electrocatalysts for the hydrogen evolution re…
Exceptionally High Nonlinear Optical Response in Two-dimensional Type II Dirac Semimetal Nickel di-Telluride (NiTe2)
Saswata Goswami, Caique Campos de Oliveira, Bruno Ipaves +6
Nickel ditelluride (NiTe2) is a newly identified Type-II Dirac semimetal, showing novel characteristics in electronic transport and optical experiments. In this study, we explored…
Emamectin benzoate sensing using vivianenes (2D vivianites)
Surbhi Slathia, Bruno Ipaves, Raphael Benjamim de Oliveira +7
The excessive application of pesticides, particularly the overreliance on insecticides for the protection of desirable crops from pests, has posed a significant threat to both ecol…