Seixas Research Group (SRG) is a research group in computational modeling and materials simulation through first-principles methods. The group is part of MackGraphe research center, Mackenzie Presbyterian University. Led by Prof. Leandro Seixas, the group aims to develop the research area of modeling and computational simulation, discovering and characterizing novel materials for emerging technologies in nanotechnology.

materials_blackElectronic Structure of 2D Materials

One of the main research topics of our group is the study of fundamental physical properties of novel 2D materials, such as electronic, mechanical, magnetic, optical and vibrational properties. In particular, the electronic properties of new 2D materials are investigated in order to deeply understand quantum phenomena such as topological phases of matter, electric polarization effects and magnetic orders. From this more in-depth understanding, we can make modifications in these 2D materials to increase the stability of the material, or a desired physical property.

Li advanced batteriesfull-battery

We study 2D materials for potential applications Li-ion batteries (LIB) electrodes, including phenomena as Li adsorption, Li diffusion, charge transfer, and electronic properties. Also, we studied how to improve the stability of these 2D materials for a longer battery life. Recently, we are studying new strategies to storage energy, as lithium-sulfur (Li-S) batteries.

hydrogen_reactionHydrogen Evolution Reaction

We also study 2D materials pristine and with point defects for applications in electrocatalysis as hydrogen production via electrolysis of water. For this goal, we study the hydrogen adsorption for hydrogen evolution reaction (HER) on basal plane of novel 2D materials.