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RESEARCH AND INNOVATION
First-principles calculations in nanostructures
Structural and vibrational properties of two-dimensional nanostructures
Automation and scientific instrumentation for basic physics education
Configuration of high-performance scientific computing environments
The experimental realization of graphene in 2004 demonstrated not only that atomically thin layers of materials could be isolated, but also that reduced dimensionality leads to profound changes in physical properties compared to their bulk counterparts.
To complement the properties of graphene for applications such as flexible, ultrathin, and transparent substrates, a wide range of other two-dimensional (2D) materials have been intensively investigated, including transition metal dichalcogenides (e.g., MoSâ‚‚), phosphorene, germanene, and silicene.
However, there is still limited understanding of their structural and vibrational properties at the few-layer limit, as well as of symmetry-breaking effects. In addition, the role of defects and oxidation in these materials remains insufficiently explored.
In this project, we combine theoretical and experimental approaches to investigate these effects. On the theoretical side, we employ Density Functional Theory (DFT) and symmetry analysis, while experimentally we use Raman spectroscopy along with complementary characterization techniques such as atomic force microscopy (AFM) and scanning electron microscopy (SEM).
We also investigate the effects of doping, structural and substitutional defects, and chemical modifications in these materials. Furthermore, we explore different synthesis and preparation routes, including chemical vapor deposition (CVD), chemical exfoliation of graphene and other layered materials, and micromechanical exfoliation.
Biochar synthesis and characterization for carbon sequestration and soil quality enhancement
Biochar is a carbon-rich material produced through the thermal treatment of biomass from diverse sources, and has emerged as a sustainable strategy for carbon sequestration in soils as well as for improving soil quality. One major research direction in this field is inspired by anthropogenic soils found in the Amazon region, known as Terra Preta de Índio (TPI). These soils exhibit remarkably higher fertility than surrounding soils and maintain their quality even under tropical conditions of high temperature and rainfall.
The high content of black carbon in these Amazonian soils is associated with the preservation of organic matter, contributing to long-term soil fertility. In this project, we focus on the synthesis of biochar derived from different biomass sources, along with the characterization of their physical and chemical properties.
Among the characterization techniques, Raman spectroscopy plays a central role, as it has proven to be a powerful tool for understanding the structure of carbon-based materials in anthropogenic soils. The knowledge generated in this project is expected to provide insights into key aspects of carbon formation processes in such environments and to guide the development of biochar with tailored properties.
These results have important implications for the development of new technologies related to soil improvement and carbon sequestration.
Scientific instrumentation for nanomaterials synthesis, preparation, and characterization
Scientific research relies on the synthesis and preparation of materials, as well as on the acquisition and processing of data, both in fundamental and applied contexts. In Brazil, the limited development of scientific instrumentation has long been a critical challenge for advancing research capabilities. The shortage of highly qualified technical personnel for equipment maintenance, together with the lack of national manufacturers, significantly increases the cost of experimental research.
At the same time, nanotechnology is recognized as a strategic area for national scientific and technological development. The distinct properties exhibited by materials at the nanoscale, compared to their bulk counterparts, open new avenues for the exploration of novel physical phenomena. In particular, two-dimensional (2D) nanomaterials have attracted significant interest due to their potential applications in flexible, ultrathin, and transparent devices, as well as their role as building blocks in emerging 2D heterostructures.
This project focuses on the development of laboratory-scale instrumentation for materials synthesis, thermal treatment, sample preparation, and the control of degradation processes in 2D materials. The fabricated systems will be calibrated and used for sample preparation, with their structural properties monitored primarily through Raman spectroscopy.
The implementation of the proposed instrumentation is expected to significantly enhance the experimental infrastructure available not only within our department but also across related research areas. In addition, it will contribute to the training of highly qualified personnel and foster a culture of technological innovation within the university.
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