Sustainable Development Goals
Research interests
• Pt3Zr and similar alloys as protective coatings against oxidation and hydrogen attack on zirconium-based components in nuclear reactors
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Adsorption and dissociation energy barriers of H2O, H2, CO, CO2, NH3, CH4, NO, and NO2 on (ZnO)12 nanobubbles by first-principles calculations
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Adsorption and dissociation of water molecules on copper clusters
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Adsorption and dissociation of water molecules on silver clusters
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Theoretical study of the catalytic performance of X-graphyne as cathodes for lithium-air batteries
Profile
Dr. Juan Salvador Arellano Peraza holds a Bachelor's degree in Physics and a Ph.D. in Science (Physics) from the Universidad Nacional Autónoma de México (UNAM). He has taught at the Instituto Politécnico Nacional (IPN), the Universidad Nacional Autónoma de México, and the Universidad Autónoma Metropolitana Unidad Azcapotzalco. He is assigned to the Applied Atomic and Molecular Physics Area within the Department of Basic Sciences at UAM Azcapotzalco. He specializes in nanoscience and nanotechnology, with a sub-specialization in hydrogen and other atomic and molecular species.
His academic goals focus on conducting first-principles studies based on Density Functional Theory (DFT) using computational codes such as Quantum ESPRESSO, GPAW, and NWChem.
His research topics encompass hydrogen adsorption in porous systems, including fullerenes, carbon nanotubes, and 3D and 2D graphitic materials. In his research on Pt3Zr, he studied water molecule adsorption on its surface using the GPAW code in collaboration with colleagues from Spain, exploring its application as a protective coating for metallic containers in nuclear reactors to prevent oxidation, corrosion, and hydrogen diffusion into reactor walls. Additionally, he collaborates on project PID2022-138340OB-I00, "Green Hydrogen Production on Single-Atom Catalysts and Storage on Nanohydride Platforms," funded by the Spanish Ministry of Science and Innovation, focusing on surface water splitting.
He is a researcher on project 22320031 at UAM Azcapotzalco, centered on the ab initio theoretical design of lead-free perovskite solar cells, and collaborates on a project investigating the properties of the WS2-ZnO-H2O compound and Zn_m-O_m systems (m=10 to m=17) upon the adsorption of molecules such as H2, H2O, CH4, N2, NH3, NO, NO2, and CO using Quantum ESPRESSO and Gaussian. Furthermore, he is currently conducting research on the adsorption and dissociation of water molecules on copper and silver clusters.
He serves as a peer reviewer for scientific journals including International Journal of Hydrogen Energy, Journal of Molecular Liquids, Discover Applied Sciences, Vacuum, MRS Advances, Results in Surfaces and Interfaces, Transition Metal Chemistry, MICMAT, and Academia. He is the author of 27 scientific publications, with an h-index of 8 and approximately 585 citations to his work.
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