174 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Brazilian Synchrotron Light LaboratoryBR56 papers
- Universidade Federal do ABCBR32 papers
- Laboratório Nacional de Nanotecnologia30 papers
- Universidade Estadual de Campinas (UNICAMP)BR28 papers
- Universidade Federal do Rio de JaneiroBR16 papers
- Universidade de São PauloBR13 papers
- Universidade Federal FluminenseBR13 papers
- Centro Brasileiro de Pesquisas FísicasBR12 papers
- Universidade Federal de UberlândiaBR11 papers
- Max Planck Institute for Chemical Physics of SolidsDE10 papers
- Universidade Federal de São CarlosBR10 papers
- Universidade Federal de ViçosaBR8 papers
69 papers · 1 filter
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…
Interplay of energy and charge transfer in WSe2/CrSBr heterostructures
José Roberto de Toledo, Caique Serati de Brito, Barbara L. T. Rosa +12
Van der Waals heterostructures (vdWHs) composed of transition-metal dichalcogenides (TMDs) and layered magnetic semiconductors offer great opportunities to manipulate exciton and v…
Hydrogen peroxide electrogeneration from O2 electroreduction: a review focusing on carbon electrocatalysts and environmental applications
Aline B. Trench, Caio Machado Fernandes, João Paulo C. Moura +9
Hydrogen peroxide (H2O2) stands as one of the foremost utilized oxidizing agents in modern times. The established method for its production involves the intricate and costly anthra…
Experimental and theoretical studies of WO3-Vulcan XC-72 electrocatalyst enhanced H2O2 yield ORR performed in acid and alkaline medium
João Paulo C Moura, Lanna EB Lucchetti, Caio M Fernandes +5
The oxygen reduction reaction (ORR) plays a pivotal role in clean energy generation and sustainable chemical production, particularly in the synthesis of hydrogen peroxide (H\texts…
Cerium doped graphene-based materials towards oxygen reduction reaction catalysis
Lanna E. B. Lucchetti, Pedro A. S. Autreto, Mauro C. Santos +1
With the global transition towards cleaner energy and sustainable processes, the demand for efficient catalysts, especially for the oxygen reduction reaction, has gained attention…
Accurate and efficient protocols for high-throughput first-principles materials simulations
Gabriel de Miranda Nascimento, Flaviano José dos Santos, Marnik Bercx +3
Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through f…
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…
Interacting Virtual Topological Phases in Defect-Rich 2D Materials
Felipe Crasto de Lima, Roberto H. Miwa, Caio Lewenkopf +1
We investigate the robustness of {\it virtual} topological states -- topological phases away from the Fermi energy -- against the electron-electron interaction and band filling. As…
Reentrant topological phase in half-Heusler compounds
Augusto L. Araújo, Felipe Crasto de Lima, Adalberto Fazzio
Half-Heusler compounds are known for their various compositions and multifunctional properties including topological phases. In this study, we investigate the topological classific…
Importance of the semimetallic state for the quantum Hall effect in HfTe
M. M. Piva, R. Wawrzyńczak, Nitesh Kumar +5
At ambient pressure, HfTe is a material at the boundary between a weak and a strong topological phase, which can be tuned by changes in its crystalline structure or by the ap…
TMMSim: A Versatile Tool for Optical Simulation of ThinFilm Solar Cells
Leandro Benatto, Omar Mesquita, Kaike R. M. Pachecoand Lucimara S. Roman +3
The Transfer Matrix Method (TMM) has become a prominent tool for the optical simulation of thinfilm solar cells, particularly among researchers specializing in organic semicondu…
Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials' Surfaces
Bruno Focassio, Luis Paulo Mezzina Freitas, Gabriel R. Schleder
Machine learning interatomic potentials (MLIPs) are one of the main techniques in the materials science toolbox, able to bridge ab initio accuracy with the computational efficiency…
Resonant helical multi-edge transport in Sierpiński carpets
M. A. Toloza Sandoval, A. L. Araújo, F. Crasto de Lima +1
In recent years, synthesis and experimental research of fractalized materials has evolved in a paradigmatic crossover with topological phases of matter. We present here a theoretic…
RICalc: A User Friendly Software and Web Server for Refractive Index Calculation
Leandro Benatto, Omar Mesquita, Lucimara S. Roman +3
The refractive index of an optical medium is essential for studying a variety of physical phenomena. One useful method for determining the refractive index of scalar materials (i.e…
Strain, Anharmonicity and Finite-Size Effects on the Vibrational Properties of Linear Carbon Chains
Graziâni Candiotto, Fernanda R. Silva, Deyse G. Costa +1
Linear carbon chains (LCCs) are the ultimate 1D molecular system and they show unique mechanical, optical and electronic properties that can be tuned by altering the number of carb…
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…
Improved Performance of Organic Light-Emitting Transistors Enabled by Polyurethane Gate Dielectric
Arthur R. J. Barreto, Graziâni Candiotto, Harold J. C. Avila +9
Organic light-emitting transistors (OLETs) are multifunctional optoelectronic devices that combine in a single structure the advantages of organic light emitting diodes (OLEDs) and…
Tuning the spontaneous exchange bias effect in La1.5Sr0.5CoMnO6 with sintering temperature
C. Macchiutti, J. R. Jesus, F. B. Carneiro +8
Here, we present a study of the influence of microstructure on the magnetic properties of polycrystalline samples of the La1.5Sr0.5CoMnO6 double perovskite, with primary attention…
FRETCalc: A Free Software and Web Server for Förster Resonance Energy Transfer Calculation
Leandro Benatto, Omar Mesquita, João L. B. Rosa +4
Förster Resonance Energy Transfer Calculator (FRETCalc) is a program and web server that analyzes molar extinction coefficient of the acceptor, emission spectrum of the donor, a…
PLQ-Sim: A Computational Tool for Simulating Photoluminescence Quenching Dynamics in Organic Donor/Acceptor Blends
Leandro Benatto, Omar Mesquita, Lucimara S. Roman +3
Photoluminescence Quenching Simulator (PLQ-Sim) is a user-friendly software to study the photoexcited state dynamics at the interface between two organic semiconductors forming a b…
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…
Enhancing Chemical Stability and Photovoltaic Properties of Highly Efficient Nonfullerene Acceptors by Chalcogen Substitution: Insights from Quantum Chemical Calculations
Leandro Benatto, João Paulo A. Souza, Matheus F. F. das Neves +4
The chemical stability of nonfullerene acceptor (NFA) is the Achilles' heel of the research on state-of-the-art organic solar cells (OSC). The fragility of the NFA is essentially d…
Substrate suppression of oxidation process in pnictogen monolayers
R. L. H. Freire, F. Crasto de Lima, A. Fazzio
2D materials present an interesting platform for device designs. However, oxidation can drastically change the system's properties, which need to be accounted for. Through {\it ab…
One-Dimensional Moiré Physics and Chemistry in Heterostrained Bilayer Graphene
Gabriel R. Schleder, Michele Pizzochero, Efthimios Kaxiras
Twisted bilayer graphene (tBLG) has emerged as a promising platform to explore exotic electronic phases. However, the formation of moiré patterns in tBLG has thus far been confined…