OUR RESEARCH




CARBON NANOMATERIALS

Carbon Nanomaterials

The objective is to design new functionalization strategies for obtaining new materials with potential applications in supercapacitors, fuel cells, and molecular electronics applications.

MOLECULAR MACHINES AND DEVICES

Photochemical switches and molecular machines

Photochemical processes that affect the different thermodynamic and kinetic states of libraries based on hydrazonic and acylhydrazonic compounds. We focus on studying libraries of combinatorial dynamics based on acylhydrazonic compounds, where their content can be modulated through physical effectors such as light and heat, as well as chemical effectors such as metallic ions and pH changes.

Based on imine bonds, the research group has designed dynamic polymers (dynamers) characterized by exhibiting multiple dynamics with potential applications in molecular electronics, self-repairing materials, and coatings.

POLYMERIC MATERIALS




The design of smart materials is one of the most exciting and active topics in modern science. In our research group, we are interested in designing "smart" materials, especially those that respond to stimuli such as light, heat, and pH.


ELECTRONIC STRUCTURE OF MOLECULES

Computational Techniques for Electronic Structure, Electronic Spectroscopy, and Magnetic Coupling

We apply quantum chemistry methods for the analysis of the electronic structure of molecules, especially methods based on Wave Function Theory (WFT) and Density Functional Theory (DFT) in the prediction of optical and magnetic properties of molecular materials. Currently, three thematic axes of research define our interests in this line: Electronic structure, electronic spectroscopy, magnetic coupling. In the three thematic elements, compounds with potential application in the design of biomimetic photocatalysts, as well as and photoconductive and photomagnetic molecular materials, are studied.

Electronic Structure

The application of molecular orbital localization techniques for the description of the electronic structure of different chemical compounds. 

Electronic Sprectroscopy

The computational study of spectroscopy and light-induced activation mechanisms in organic and inorganic molecules. 

Magnetic Coupling

The computational evaluation of magnetic coupling mechanisms in organometallic compounds.