Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR835 papers
- The Ohio State UniversityUS812 papers
- Universidade de São PauloBR798 papers
- Panjab UniversityIN636 papers
- Universidade Federal do ABCBR635 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di TorinoIT634 papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR603 papers
- Benemérita Universidad Autónoma de PueblaMX594 papers
- European Organization for Nuclear ResearchCH583 papers
- Wayne State UniversityUS576 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di BolognaIT570 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di CataniaIT565 papers
193 papers · 1 filter
Magnesium-graphene interphase boundaries created by high-pressure torsion enhance hydrogen storage kinetics:Mechanisms and significance of activation energy and frequency factor
Runchen Zhou, Payam Edalati, Anthony Alhayek +6
A strategy to overcome sluggish hydrogenation/dehydrogenation of magnesium is demonstrated by creating magnesium-graphene interphase boundaries via high-pressure torsion (HPT). HPT…
Diamond-to-graphite transformation under hypersonic impact
Abhijit Biswas, Aniket Mote, Rajib Sahu +19
Diamond to graphite transformation is a complex kinetically driven process which has been studied under various conditions for its fundamental importance. We report the transformat…
Uniaxial stress tuning of the anomalous Hall effect in Mn3Ge
G. A. Lombardi, L. O. Kutelak, M. M. Piva +6
Tunable electronic properties in magnetic materials lead to novel physical phenomena that have the potential to be exploited in the design of new spintronic devices. Here, we repor…
From Glaphene to Glaphynes: A Hybridization of 2D Silica Glass and Graphynes
Guilherme S. L. Fabris, Raphael B. de Oliveira, Marcelo L. Pereira Junior +3
Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a novel hybrid…
A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks
Ricardo Paupitz, Alexandre F. Fonseca, Mizraim Bessa +6
Two-dimensional (2D) carbon allotropes have received considerable attention due to their unique properties and potential applications in several fields, including electronics, cata…
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…
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…
Magnetostriction as the origin of the magnetodielectric effect in La2CoMnO6
M. Boldrin, A. Bagri, D. Barlettani +12
The La2CoMnO6 (LCMO) perovskite has received a lot of attention due to its near room temperature magnetodielectric effect. Despite the recent efforts, the mechanism ruling the corr…
Understanding oxide surface stability: Theoretical insights from silver chromate
Augusto Facundes, Thiago T. Dorini, Theodora W. von Zuben +1
Silver chromate () has attracted considerable attention in recent years due to its promising photocatalytic performance, which strongly depends on the cryst…
Graphene Design with Parallel Cracks: Abnormal Crack Coalescence and Its Impact on Mechanical Properties
Suyeong Jin, Jung-Wuk Hong, Chiara Daraio +1
Graphene is a material with potential applications in electric, thermal, and mechanical fields, and has seen significant advancements in growth methods that facilitate large-scale…
Sodium-Decorated P-C3N: A Porous 2D Framework for High-Capacity and Reversible Hydrogen Storage
Jose A. S. Laranjeira, Nicolas F. Martins, Kleuton A. L. Lima +4
The development of reversible hydrogen storage materials has become crucial for enabling carbon-neutral energy systems. Based on this, the present work investigates the hydrogen st…
Structure and Elastic properties of Titanium MXenes: evaluation of COMB3, REAXFF and MEAM force fields
Luis F. V. Thomazini, Alexandre F. Fonseca
Titanium carbide and nitride MXenes are two-dimensional inorganic materials that exhibit noteworthy physical and chemical properties. These materials are considered for a variety o…
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…
Computational Characterization of the Recently Synthesized Pristine and Porous 12-Atom-Wide Armchair Graphene Nanoribbon
Djardiel da S. Gomes, Isaac M. Felix, Willian F. Radel +3
Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons Nano Lett. 2024, 24, 10718-10723 exhibit tunable properties through periodic porosity, enabling precise contr…
Exploring Novel 2D Analogues of Goldene: Electronic, Mechanical, and Optical Properties of Silverene and Copperene
Emanuel J. A. dos Santos, Rodrigo A. F. Alves, Alexandre C. Dias +3
Two-dimensional (2D) materials have garnered significant attention due to their unique properties and broad application potential. Building on the success of goldene, a monolayer l…
Angular Dependence of Four Mechanical Properties of Graphynes
Guilherme B. Kanegae, Alexandre F. Fonseca
Graphyne is a porous two-dimensional carbon allotrope of graphene that possesses interesting physical properties, including non-null bandgap. It is composed of carbon hexagonal rin…
Lattice Thermal Conductivity of Sun-Graphyne from Reverse Nonequilibrium Molecular Dynamics Simulations
Isaac de Macêdo Felix, Raphael Matozo Tromer, Leonardo Dantas Machado +3
The thermal conductivity of two-dimensional (2D) materials is critical in determining their suitability for several applications, from electronics to thermal management. In this st…
Irida-Graphene Phonon Thermal Transport via Non-equilibrium Molecular Dynamics Simulations
Isaac M. Felix, Raphael M. Tromer, Leonardo D. Machado +3
Recently, a new 2D carbon allotrope called Irida-Graphene (Irida-G) was proposed. Irida-G consists of a flat sheet topologically arranged into 3-6-8 carbon rings exhibiting metalli…
Reorganization energy from charge transport measurements in a monolithicallyintegrated molecular device
Leandro Merces, Graziâni Candiotto, Letícia M. M. Ferro +6
Intermolecular charge transfer reactions are key processes in physical chemistry. The electron-transfer rates depend on a few system's parameters, such as temperature, electromagne…
Patterning edge-like defects and tuning defective areas on the basal plane of ultra-large MoS monolayers toward hydrogen evolution reaction
Bianca Rocha Florindo, Leonardo H. Hasimoto, Nicolli de Freitas +11
The catalytic sites of MoS monolayers towards hydrogen evolution are well known to be vacancies and edge-like defects. However, it is still very challenging to control the po…
Annealing effects on the magnetic and magnetotransport properties of iron oxide nanoparticles self-assemblies
Fernando Fabris, Enio Lima, Jorge Martín Nuñez +5
In magnetic tunnel junctions based on iron oxide nanoparticles the disorder and the oxidation state of the surface spin as well as the nanoparticles functionalization play a crucia…
Tuning the topological character of half-Heusler systems: A comparative study on YBi ( = Pd, Pt)
J. C. Souza, M. V. Ale Crivillero, H. Dawczak-Dębicki +3
Half-Heusler systems host a plethora of different ground states, especially with non-trivial topology. However, there is still a lack of spectroscopic insight into the correspondin…
Elastocaloric Effect in Graphene Kirigami
Luiz A. Ribeiro Junior, Marcelo L. Pereira Junior, Alexandre F. Fonseca
Kirigami, a traditional Japanese art of paper-cutting, has recently been explored for its elastocaloric effect (ECE) in kirigami-based materials (KMs), where applying strain induce…