Catalysis and Surface Processes

Ana Elizabeth Torres-Hernández

Micro and Nanotechnologies

Academic Groups

Dra. Ana Elizabeth Torres-Hernández​

Member of the academic staff

Ana is a Researcher on Computational Chemistry, she recently joined the Institute for applied Sciences and Technology of the National Autonomous University of Mexico (UNAM) as Research Associate. Previously, Ana has worked on research projects on simulations of materials for lithium-based batteries as postdoc in Texas A&M University and in the National Laboratory in Energy Conversion and Storage of Mexico.  She has been honored as Lindau alumna in the 67th Lindau Nobel Laureate Meeting on Chemistry where she had the unique opportunity to share academic experiences with 28 Nobel Laureates.  She graduated with honors as Chemist and holds a Master and PhD degrees in Science (Chemistry) from UNAM. She is also committed with mentoring and empowering high-school girls in disadvantaged situations to pursue a career on STEM fields.

  • Computational Chemistry of Materials for Catalysis and Energy.

  • Computational Nanochemistry

  • Strong correlated materials

  • Computational modeling of multimetallic materials for catalytic applications on environmental remediation.

    Theoretical study of Au-Ru and Au-Rh metallic nanoparticles used for the catalytic oxidation of CO.

    Computational modeling of functionalized graphene-based materials.

    Interactions of metallic nanoparticles and biomolecules.

    Electronic structure of 3D and 2D materials based on transition metal nitroprussides.

R. Mojica, A. E. Torres, Y. Avila, E. Reguera, “An insight into nd10 metal cyanide-based coordination polymers through ab-initio calculations: their electronic properties and optical response”, ChemPhysChem (2022) ChemPhysChem. https://doi.org/10.1002/cphc.202200799

R. Camposeco, Ana E. Torres, R. Zanella, “Catalytic oxidation of propane over Pt-Pd bimetallic nanoparticles supported on TiO2”, Mol. Catal. 532 (2022).

R. Mojica, A. E. Torres*, I. Zumeta-Dubé, Y. Avila, E. Reguera*, “A Theoretical and Experimental Approach to the Optical Response and the Electronic Structure of Hg1+ and Hg2+ Nitroprussides”. J. Solid State Chem., 314 (2022).

A. E. Torres*, U. Molina, R. Mojica, “Au-Ru nanoparticles in catalysis, analysis from first-principles calculations”, Mundo Nano. Rev. Interdiscip. en Nanociencias y Nanotecnología, 15, (2022), 1e-21e. Editora.

R. Camposeco, A. E. Torres, R. Zanella, “Influence of the preparation method of Au, Pd, Pt, and Rh/TiO2 nanostructures and their catalytic activity on the CO oxidation at low temperature“, Top. Catal., (2022).

H. Heredia-Ureta, A. E. Torres, E. F. Reguera, C. I. Aguirre-Vélez, “Simulation of the Physicochemical Properties of Anatase TiO2 with Oxygen Vacancies and Doping of Different Elements for Photocatalysis Processes. In: Botto-Tobar, M., S. Gómez, O., Rosero Miranda, R., Díaz Cadena, A., Montes León, S., Luna-Encalada, W. (eds) Trends in Artificial Intelligence and Computer Engineering. ICAETT 2021. Lecture Notes in Networks and Systems, Springer, Cham, 407, (2022).

R. Mojica, A. E. Torres*, I. Zumeta-Dubé, Y.  Avila, E. Reguera*, “Optical bandgap of Cd, Zn, and Ag nitroprussides. A combined experimental and computational study”, Journal of Physics and Chemistry of Solids, 163, (2022), 110608.

A. E. Torres*, J. Rodríguez-Pineda, R. Zanella*, “Relevance of Dispersion and the Electronic Spin in the DFT + U Approach for the Description of Pristine and Defective TiO2 Anatase”. ACS Omega 6 (2021) 23170-23180.

C. A. Velásquez, A. E. Torres, C. Gómez-Pech, J. G. Ávila-Zárraga, F. Colmenares, “Role of the base Cs2CO3 on the palladium-catalyzed intramolecular cyclization of two bromoindole derivatives to yield paullone-type products”. J. Mol. Model 27 (2021).

A. E. Torres*, S. Fomine, “Halogen-Doping Effect on the Delithiation and Charge Transfer of (Li2S)10 Cluster”. J. Phys. Chem. A 124 (2020) 8949–8958.En portada.

A. E. Torres*, J. Rodríguez-Pineda, R. Zanella*, “Relevance of Dispersion and the Electronic Spin in the DFT + U Approach for the Description of Pristine and Defective TiO2 Anatase”. ACS Omega 6 (2021) 23170-23180.

A. E. Torres*, S. Fomine, “Halogen-Doping Effect on the Delithiation and Charge Transfer of (Li2S)10 Cluster”, J. Phys. Chem. A 124 (2020) 8949–8958.En portada.

A. E. Torres*, E. Ramos, P. B. Balbuena*, “LiOH formation from lithium peroxide clusters and the role of iodide additive”. J. Phys. Chem. C 124 (2020) 10280–10287.

Y. Ávila, O. Hernández, Y. Plasencia, A. E. Torres, M. González, A. A. Lemus‐Santana, E. Reguera, “From 3D to 2D transition metal nitroprussides by selective rupture of axial bonds”, Chem. Eur. J. 25 (2019) 11327.

A. E. Torres*, P. B. Balbuena, “Exploring the LiOH formation reaction mechanism in lithium-air batteries”. Chem. Mater. 30 (2018) 708-717

A. E. Torres, R. Flores, S. Fomine, “A comparative study of one and two dimensional π – conjugated systems”, Synthetic Met. 213 (2016) 78-87.

A. E. Torres, P. Guadarrama, S. Fomine, “Multiconfigurational character of the ground states of polycyclic aromatic hydrocarbons. A systematic study”, J. Mol. Model., 20, 2014, 2208.

  • Intruct students at undergraduate level in Physics in the School of Chemistry UNAM.

    Undergraduate and graduate thesis advisor.

    Thaught course on Computational Chemistry for graduate students of the Program of Advanced Technology CICATA IPN.

    Thaught 8 undergraduate courses on Structure of Matter in the School of Chemistry UNAM.

Graduate

  • Doctoral: Hebert Rodrigo Mojica Molina
  • Master’s:  Jonatan Rodríguez-Pineda
  • Master’s: Luis Alberto Lares Rangel

Undegraduate

  • Josué Hernández Márquez
  • Daniela Elizabeth Armas Zepeda
  • Kevin Alejandro Carvajal Gómez
  • Andoni Udaeta Collas
  • Uriel Omar Molina Tenrreyra