A5011173370- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- ZnO doping and properties
- Magnetic properties of thin films
- Catalytic Processes in Materials Science
- Heusler alloys: electronic and magnetic properties
- Chalcogenide Semiconductor Thin Films
- GaN-based semiconductor devices and materials
- Perovskite Materials and Applications
- Metal and Thin Film Mechanics
- Topological Materials and Phenomena
- Electronic and Structural Properties of Oxides
- Molecular Junctions and Nanostructures
- Quantum Dots Synthesis And Properties
- Electrocatalysts for Energy Conversion
- Advancements in Battery Materials
- Gas Sensing Nanomaterials and Sensors
- Boron and Carbon Nanomaterials Research
- Magnetic and transport properties of perovskites and related materials
- Advanced Photocatalysis Techniques
- Semiconductor materials and devices
- Copper-based nanomaterials and applications
- Advanced Condensed Matter Physics
- Advanced Chemical Physics Studies
Universidad Nacional Autónoma de México
2016-2025
Institut Català de Nanociència i Nanotecnologia
2016-2025
Center for Scientific Research and Higher Education at Ensenada
2023-2024
Universidad Autónoma de Baja California
2021-2023
El Colegio de la Frontera Norte
2022
Ensenada Institute of Technology
2016-2021
Ohio University
2015-2019
The Ohio State University
2019
Benemérita Universidad Autónoma de Puebla
2012-2016
Abstract The oxygen reduction reaction (ORR) is of paramount interest, in the context both alternative energy applications fuel cells and for on‐site hydrogen peroxide (H 2 O ) production environmental remediation applications. Using theoretical experimental methods, mechanism involved ORR studied on nitrogen‐doped graphitic carbon materials. two principal pathways are four‐electron pathway producing water O), or two‐electron leading to formation H . An atomistic step by proposed understand...
In this work, defect engineering and doping are proposed to effectively functionalize a germanium sulfide (GeS) mononolayer. With buckled hexagonal structure, the good dynamical thermal stability of GeS monolayer is confirmed. PBE(HSE06)-based calculations assert indirect gap semiconductor nature two-dimensional (2D) material with relatively large band 2.48(3.28) eV. The creation single Ge vacancy magnetizes total magnetic moment 1.99
Selectivity in catalysis is key to many industrial processes, yet it often difficult control. One promising approach use so-called single-atom catalysts, whereby one catalytic component isolated within a second phase add but otherwise unavailable functionality. Here, we report the of metal alloys consisting Pt single atoms diluted Cu nanoparticles selectively promote hydrogenation C═O bonds unsaturated aldehydes, reaction interest fine chemical manufacturing. Our rationale, that surfaces may...
A comprehensive study of the kinetics catalytic hydrogenation unsaturated aldehydes, in particular cinnamaldehyde, promoted by CuPtx/SBA-15 single-atom alloy catalysts was carried out order to identify trends as a function composition bimetallic nanoparticles, that is, value x. The optimum performance reported us recently [ ACS Catal. 2019, 9, 9150−9157] terms selectivity toward formation cinnamyl alcohol, desired product, catalyst with x = 0.005 corroborated. rapid decrease seen activity...
Buckypapers made with CNx nanotubes.
Chemical adsorption of non-metal atoms may lead to the emergence novel features in two-dimensional (2D) materials. In this work, electronic and magnetic properties graphene-like XC (X = Si Ge) monolayers with adsorbed H, O, F are investigated using spin-polarized first-principles calculations. Deeply negative energies suggest strong chemical on monolayers. Despite non-magnetic nature both host monolayer adatom, SiC is significantly magnetized by H inducing semiconductor nature. Similar...
By first-principles calculation and experimental measurements, we investigated the lithiation process in Ti4C3 Ti2Ta2C3 MXenes. Our results show successful synthesis of MXene with an interlayer distance 0.4 nm, which supposes correct delamination material. measurements also demonstrate that double-ordered alloy can store 4 times amount lithium than pristine MXene. DFT calculation, stability TixTa4–xC3 According to calculations, five MXenes are stable, where most stable 50% Ta/Ti ratio...
Defect engineering and doping are proposed as efficient approaches to create new 2D multifunctional materials from a non-magnetic semiconductor PdO 2 monolayer.
Abstract In this work, point defects are proposed to modify the electronic and magnetic properties of SiP monolayer. Pristine monolayer is a non‐magnetic semiconductor 2D material with energy gap 1.52(2.21) eV as predicted by PBE(HSE06) functional. Single Si vacancy (), Si+P divacancy substituting one P atom () magnetize significantly Herein, total moments between 1.00 2.00 obtained . contrast, no magnetism induced single exchanging pair Si‐P positions (). Moreover, significant magnetization...
In this work, efficient approaches to modify the electronic and magnetic properties of SnSSe monolayer are proposed. A pristine is a nonmagnetic two-dimensional (2D) semiconductor material with an energy gap 0.96(1.64) eV obtained from PBE (HSE06)-based calculations. Different single vacancies, divacancies, trivacancies make appearance middle-gap states tune structure without producing magnetism. Specifically, metallized by chalcogen vacancy. Meanwhile, large band-gap reductions on order...
The magnetic structure, magnetoresistance, and Hall effect of non-centrosymmetric semimetal NdAlGe are investigated revealing an unusual state anomalous transport properties that associated with the electronic structure this compound. magnetization magnetoresistance measurements both highly anisotropic indicate Ising-like system. is complex in it involves three ordering vectors including incommensurate spin density wave commensurate ferrimagnetic zero field. We have discovered a large...
Using density functional theory, we have studied a graphene structure with single C vacancy, doped three pyridinic N atoms and metallic adatom (Fe, Ni, Cu) as catalyst for the oxygen reduction reaction (ORR), one of most critical reactions in electrocatalysis. Nitrogen(N)-doped graphitic structures are promising candidates ORR, incorporation adatoms could improve their activity. Previous experimental theoretical reports indicate that Fe favors four-electron pathway, resulting formation water...
Spin polarized scanning tunneling microscopy is used to directly image topological magnetic textures in thin films of MnGe, and correlate the magnetism with structure probed at atomic-scale. Our images indicate helical stripe domains, each characterized by a single wavevector Q, their associated helimagnetic domain walls, contrast 3Q state seen bulk. Combining our surface measurements micromagnetic modeling, we deduce three-dimensional orientation wavevectors gain detailed understanding...
The pristine InSe monolayer is a nonmagnetic indirect gap semiconductor. Furthermore, doping with IVA- and VA-group atoms at both In Se sublattices explored to achieve effective band structure magnetism engineering in this 2D material.
Effective band structure and magnetism engineering of MoSSe monolayer is proposed by doping. Results demonstrate the emergence feature-rich electronic magnetic properties that are desirable for optoelectronic spintronic applications.