A5073605632- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- ZnO doping and properties
- Heusler alloys: electronic and magnetic properties
- Boron and Carbon Nanomaterials Research
- Metal and Thin Film Mechanics
- GaN-based semiconductor devices and materials
- Magnetic properties of thin films
- Quantum Dots Synthesis And Properties
- Electronic and Structural Properties of Oxides
- Gas Sensing Nanomaterials and Sensors
- Chalcogenide Semiconductor Thin Films
- Copper-based nanomaterials and applications
- Catalytic Processes in Materials Science
- Advanced Thermoelectric Materials and Devices
- Advanced Photocatalysis Techniques
- Topological Materials and Phenomena
- Semiconductor materials and devices
- Ga2O3 and related materials
- Perovskite Materials and Applications
- Molecular Junctions and Nanostructures
- Thermal properties of materials
- Advancements in Battery Materials
- Transition Metal Oxide Nanomaterials
Universidad Nacional Autónoma de México
2019-2025
Institut Català de Nanociència i Nanotecnologia
2020-2025
Center for Scientific Research and Higher Education at Ensenada
2023-2024
Universidad Autónoma de Baja California
2021-2023
Ohio University
2017-2023
University of Michigan
2021
King Fahd University of Petroleum and Minerals
2021
Universidad Autónoma de Coahuila
2018-2020
Ensenada Institute of Technology
2020
Benemérita Universidad Autónoma de Puebla
2016-2019
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...
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...
First-principles calculations of the TaN/MgO (001) interface were performed within DFT framework. A thermodynamic stability analysis identified four stable interfaces. The most configuration for consists a TaO monolayer formed between TaN and MgO layers. density states at EF indicates that all models exhibit metallic behavior. electron localization function reveals these ionic-type bonds interface. In addition to computational simulations, epitaxial growth thin films on FCC substrates was...
Phosphors of Bi4Ge3O12:Eu3+ were obtained by using the polymeric precursor route. After confirming Eu incorporated into Bi4Ge3O12 lattice, we analyzed magnetic behavior in systems with 0%, 2%, 5%, and 10%. The magnetization vs field measurements evidenced ferromagnetism all samples, different saturation values. In pristine structure, is directly related to Bi vacancies, where neighbor O atoms induce spin polarization. ferromagnetic characteristics are enhanced 2% content because take on...
A magneto-structural phase transition is investigated in single crystal CrN thin films grown by rf plasma molecular beam epitaxy on MgO(001) substrates. While still within the vacuum environment following MBE growth, $\it in-situ$ low-temperature scanning tunneling microscopy, and variable reflection high energy electron diffraction are applied, revealing an atomically smooth metallic CrN(001) surface, in-plane$ structural from 1$\times$1 (primitive unit cell) to...
In this paper, we present a detailed investigation of the structural, electronic, and optical properties pristine, nitrogenated, fluorinated MgO monolayers using
Effects of vacancies and doping with transition metals on the electronic magnetic properties GeAs monolayer are systematically investigated using first-principles calculations.
Doping with non-metal atoms may endow two-dimensional (2D) materials feature-rich electronic and magnetic properties to be applied in spintronic devices. In this work, the effects of IVA-group (C, Si, Ge) atom doping on structural, bismuthene monolayer are investigated by means first-principles calculations. Pristine is a direct gap semiconductor band 0.56 eV, exhibiting Rashba splitting caused spin-orbit coupling. Regardless level, C Si incorporation leads emergence significant magnetism,...
By first-principles total-energy calculations, we investigated the thermodynamic stability of MAX solid solution MoxV4-xAlC3 in 0 ≤ x 4 range. Results evidence that lattice parameter a increases as function Mo content, while c reaches its maximum expansion at = 2.5. After that, contraction is noticed. occupies VI sites randomly until out-of-plane ordered Mo2V2AlC3 alloy formed. We employed Defect Formation Energy (DFE) formalism to evaluate alloys. Calculations show five stable compounds. At...
Structural phase transition is studied in high quality CrN thin films grown by molecular beam epitaxy on MgO(001) substrates. Cross-sectional transmission electron microscopy and x-ray diffraction reveal that the epitaxial relationship between film MgO substrate [100]CrN/[100]MgO, [110]CrN/[110]MgO, [001]CrN/[001]MgO. The show tensile strain/compression at CrN/MgO(001) interface, which relaxes gradually with growth. Temperature dependent measurements a first-order structural transition. In...