Listar Artículo en revista de investigación por autor "0000-0002-1781-054X"
Mostrando ítems 1-16 de 16
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A combined computational and experimental study of the adsorption of sulfur containing molecules on molybdenum disulfide nanoparticles
Yang, Tao (2018-09-20)Combining density functional theory calculations and temperature programmed desorption (TPD) experiments, the adsorption behavior of various sulfur containing compounds, including C2H5SH, CH3SCH3, tetrahydrothiophene, ... -
A theoretical catalytic mechanism for methanol reforming in CeO2 vs Ni/ CeO2 by energy transition states profiles
Ramos Murillo, Manuel Antonio; 206555; 187047; Reyna Alvarado, Jorge; Pérez-Hernández, Raúl; José, Rodríguez; 206555 (2021-05-25)We present a theoretical study using Halgren-Lipscomb algorithm assisted by DFT + U to determine the catalytic mechanism for hydrogen production by steam reforming of methanol over CeO2 and Ni/CeO2 model catalytic surfaces. ... -
An Improved Method for Optical Characterization of Mineral Dust and Soot Particles in the El Paso-Juárez Airshed
Polanco Gonzalez, Javier (2020-08-15)Highly time-resolved aerosol measurements and analysis are necessary for a proper aerosol characterization in many polluted regions, because aerosol concentrations in polluted environments can change over time scales of ... -
Catalytic Aspects of Pt/Pd Supported on ZnO Rods for Hydrogen Production in Methanol Steam Reforming
Reyna Alvarado, Jorge; López-Galán, Oscar A.; Ramos Murillo, Manuel Antonio; 206555; Mondragón-Galicia, G.; Toledo Toledo, M.; Salinas‑Hernández, P.; Gutiérrez‑Martínez, A.; Fernández García, Ma. E.; Tzompantzi, F.; Barrera, A.; Pérez‑Hernández, R. (2022-06-17)We present a combined experimental and theoretical study for catalytic performance of Pt/Pd supported on ZnO rods for methanol steam reforming reaction (MSR) for hydrogen production. The samples were extensively characterized ... -
Design and Development of a MOEMS Accelerometer Using SOI Technology
Mireles Jr. Garcia, Jose (2023-01-16)The micro-electromechanical system (MEMS) sensors are suitable devices for vibrational analysis in complex systems. The Fabry–Pérot interferometer (FPI) is used due to its high sensitivity and immunity to electromagnetic ... -
Determining the Electronic Structure and Thermoelectric Properties of MoS2/MoSe2 Type-I Heterojunction by DFT and the Landauer Approach
Perez, Israel; Ramos Murillo, Manuel Antonio; López-Galán, Óscar; Nogan, John (2023-03-09)The electronic structure and thermoelectric properties of MoX2 (X = S, Se) Van der Waals heterojunctions are reported, with the intention of motivating the design of electronic devices using such materials. Calculations ... -
Electronic states and metallic character of carbide Co/MoS2 catalytic interface
Ramos Murillo, Manuel Antonio; 187047; López-Galán, Oscar; Berhault, Gilles; Torres, Brenda; Chianelli, Russell R.; 187047 (2021-05-10)We report computer assisted density functional theory computations of electronic states in carbide Co9S8/MoS2 interface model. The interface model was previously proposed using crystallographic information from experimental ... -
In Situ Thermal-Stage Fitted-STEM Characterization of Spherical-Shaped Co/MoS2 Nanoparticles for Conversion of Heavy Crude Oils
Ramos Murillo, Manuel Antonio (2020-10-27)We report the thermal stability of spherically shaped cobalt-promoted molybdenum disulfide (Co/MoS2) nano-catalysts from in-situ heating under electron irradiation in the scanning transmission electron microscope (STEM) ... -
Kröhnkite-type K2Mn(SO4)2(H2O)2 double salt: synthesis, structure, and properties
Ramos Murillo, Manuel Antonio; G. de Oliveira Neto, Joao; Lang, Rossano; O. Rodriguez, Jéssica A.; O. Gutierrez, Carlos E.; F. de Sousa, Francisco; Silva Filho, Jose G.; O. dos Santos, Adenilson (2022-04-24)A comprehensive study of the K2Mn(SO4)2(H2O)2 double salt crystal with a kro¨hnkite-type framework is presented. Structural, morphological, thermal, vibrational, and optical properties have been explored and discussed. ... -
On the Electronic Structure of 2H-MoS2: Correlating DFT Calculations and In-Situ Mechanical Bending on TEM
Ramos Murillo, Manuel Antonio (2022-09-28)We present a systematic density functional theory study to determine the electronic structure of bending 2H-MoS2 layers up to 75deg using information from in-situ nanoindentation TEM observations. The results from HOMO/LUMO ... -
Semimetal transition in curved MoS2/ MoSe2 Van der Waals heterojunction by dispersion‑corrected density functional theory
Ramos Murillo, Manuel Antonio (2022-10-24)We present a theoretical study for MoS2/MoSe2 Van der Waals heterojunction in the armchair direction, and periodicity in the y-direction, under the mechanical deformation process to explore electronic structure vs. curvature ... -
Structural transformation of vanadate nanotubes into vanadate oxides nanostructures during the dry reforming of methane
Oton, Lais F. (2019-09-20)The metal-containing vanadate nanotubes namely MeVO-NT (Me=Ni, Co or Pt) were in situ transformed into vanadate oxides nanostructures i.e., MeVxOy, during the methane dry reforming. All the experimental observations through ... -
Study of indium tin oxide–MoS2 interface by atom probe tomography
Ramos Murillo, Manuel Antonio (2019-12)The molybdenum disulfide (MoS2) and indium tin oxide (ITO) interface were studied by atom probe tomography (APT). Raman spectroscopy, scanning electron microscopy, and grazingincidence x-ray diffraction measurements were ... -
The electronic states of ITO–MoS2: Experiment and theory
Ramos Murillo, Manuel Antonio; 187047; López Galan, Óscar; Nogan, John; Ávila-García, Alejandro; Boll, Torben; Heilmaier, Martin (2021-12-16)We report a combination of experimental results with density functional theory (DFT) calculations to understand electronic structure of indium tin oxide and molybdenum disulfide (ITO–MoS2) interface. Our results indicate ... -
The Piezoresponse in WO3 Thin Films Due to N2-Filled Nanovoids Enrichment by Atom Probe Tomography
Ramos Murillo, Manuel Antonio (2023-02-07)Tungsten trioxide (WO3) is a versatile n-type semiconductor with outstanding chromogenic properties highly used to fabricate sensors and electrochromic devices. We present a comprehensive experimental study related to ... -
Tuning Magnetic Entropy Change and Relative Cooling Power in La0.7Ca0.23Sr0.07MnO3 Electrospun Nanofibers
Burrola Gándara, Luis Andrés (2020-02-29)We present experimental evidence about the magnetocaloric tuning effect in one-dimensional nanostructure fibers mixed-valence manganite as synthesized by electrospinning techniques and under heat treatments of 973, 1073 ...