Researcher

Dr. Jesús Baldenebro-López

Research professor specializing in molecular modeling and computational methods.

Affiliation Faculty of Engineering Mochis, Autonomous University of Sinaloa

Email jesus.baldenebro@uas.edu.mx

Location Los Mochis · México

Profile Google Scholar · ORCID

✉️ Contact

Research interests

[01] Computational design of organic optoelectronic materials

[02] Theoretical photophysics of coordination compounds for photovoltaics

[03] Multiscale simulations for surface-molecule interactions and corrosion protection

[04] First-principles modeling of advanced functional materials

Current projects

Computational Design and Photophysical/Optoelectronic Investigation of Molecular and Materials Platforms for Optoelectronics and Photovoltaics.

Quantum-Chemical Modeling of Molecule-Surface Interactions for Corrosion Protection and Sensing Applications.

DFT Investigation of the Structural and Optical Properties of Advanced Materials.

Recent publications

“DFT/TD-DFT studies on carbazole-diphenylamine-based dyes using different π-bridges for DSSCs”
Structural Chemistry · 2025 · Co-authors: Tomás Delgado-Montiel, Rody Soto-Rojo, Samuel Soto-Acosta, Carlos A. Peñuelas, María Edith Ruelas-Ávila, Alberto Baez-Castro, Manuel Luque-Román, Daniel Glossman-Mitnik · https://doi.org/10.1007/s11224-025-02597-1
“Rational design of triphenylamine-based sensitizers for DSSCs: a DFT comparison of pyridine and amine donor substituents”
Journal of Molecular Modeling · 2025 · Co-authors: Damián Delgado-Montiel, Norma Flores-Holguín, Rody Soto-Rojo, Manuel Luque-Román, Tomás Delgado-Montiel, Daniel Glossman-Mitnik · https://doi.org/10.1007/s00894-025-06498-2
“The Influences of π-Conjugated Aliphatic Chains in Ionic Liquids of Antimony Pentachloride with Pyridine Imidazolium Hybrid Salts: A DFT Study”
Inorganics · 2025 · Co-authors: Manuel Luque-Román, José J. Campos-Gaxiola, Adriana Cruz-Enríquez, Carlos A. Peñuelas, Alberto Báez-Castro, Rody Soto-Rojo, Tomás Delgado-Montiel, Samuel Soto-Acosta, Daniel Glossman-Mitnik · https://doi.org/10.3390/inorganics13080269
“Electrochemical and computational study of the epicatechin-3-gallate isolated from green tea leaves as a corrosion inhibitor for 1018 carbon steel in sulfuric acid”
International Journal of Electrochemical Science · 2025 · Co-authors: Elizabeth America Flores-Frías, Horacio Martínez-Valencia, Victor Barba-López, Linda Lucila Landeros-Martinez · https://doi.org/10.1016/j.ijoes.2025.101092
“Computational analysis of chalcogen-enhanced triphenylamine-based D-π-A sensitizers for DSSCs: a DFT study”
Structural Chemistry · 2025 · Co-authors: Alberto Baez-Castro, Carlos A. Peñuelas, Rody Soto-Rojo, Samuel Soto-Acosta, Tomás Delgado-Montiel, Manuel Luque-Román, María Edith Ruelas-Ávila, Daniel Glossman-Mitnik · https://doi.org/10.1007/s11224-024-02446-7
“Theoretical design of homoleptic Cu(I) complexes with triazine-type ligands and their effect on dye-sensitized solar cells”
Research on Chemical Intermediates · 2025 · Co-authors: Carlos A. Peñuelas, Samuel Soto-Acosta, Tomás Delgado-Montiel, Rody Soto-Rojo, María Edith Ruelas-Ávila, Alberto Baez-Castro, Daniel Glossman-Mitnik · https://doi.org/10.1007/s11164-024-05455-7

Indexed publications

+45

Projects

+10

h-index

Supervision

PhD(7)/MSc(8)