publicaciones seleccionadas
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documento
- TiO2:Gd3 coatings prepared at various PEO process times: Physical-chemical characterization, simulation, and photocatalytic activity 2024-08
- Efficient hydrodeoxygenation of tetrahydrofuran 2,5-dicarboxylic acid to adipic acid over Pt-MOx catalysts: An experimental and computational study 2024-06
- Ultraviolet activation of monochloramine to treat contaminants of emerging concern: reactions, operating parameters, byproducts, and opportunities 2024-05-31
- DFT based kinetic Monte Carlo study of metal surface Growth: Comparison of a restricted and an unrestricted diffusion model 2024-01
- DFT based kinetic Monte Carlo study of metal surface Growth: Comparison of a restricted and an unrestricted diffusion model 2024
- Use of nickel-electroplating wastewater to synthesize Ni-doped TiO2 and NiTiO3 coatings by plasma electrolytic oxidation to treat hexavalent chromium in real electroplating wastewater 2023-12
- Experimental and theoretical study of Cr(VI) photoreduction and adsorption onto SO42−-doped TiO2 obtained by plasma electrolytic oxidation 2023-07
- Impact of the duty cycle on the morphology and photocatalytic properties of S-TiO2 obtained by plasma electrolytic oxidation to treat real electaroplating wastewater contaminated with Cr6 2023-06
- Experimental and theoretical study of Cr(VI) photoreduction and adsorption onto SO42--doped TiO2 obtained by plasma electrolytic oxidation 2023
- Biocompatible nanoporous carbons as a carrier system for controlled release of cephalexin 2022-12
- Study of the incorporation of S in TiO2/SO42− Coatings produced by PEO process through XPS and DFT 2022-10
- Dissociative adsorption of H2 on metal cluster and (1 1 1) surface of Ag, Co, Cu and Ru 2022-04-18
- Diffusion of hydrogen, carbon and oxygen in the presence of hydrogen coadsorbed onto iron surfaces 2022-01-15
- Biocompatible nanoporous carbons as a carrier system for controlled release of cephalexin 2022
- Adsorption and diffusion of O atoms on metallic (1 0 0) surfaces. Cluster and periodic slab approaches 2021-12-23
- Incorporation of P5 and P3− from phosphate precursor in TiO2:P coatings produced by PEO: XPS and DFT study 2021-09
- DFT Study of adsorption and diffusion of H2O and related species on Cu(100) surfaces 2021-08-12
- Ab initio calculations related to anodes of lithum-ion batteries 2020-06-01
- Adsorption and Dissociation of CO on Metal Clusters 2020-04
- Direct versus Hydrogen-Assisted Dissociation of CO on Iron Surfaces: Kinetic Monte Carlo and Microkinetic Modeling 2019-10
- Confined Iron Nanoparticles on Mesoporous Ordered Silica for Fischer–Tropsch Synthesis 2019-09-12
- Nanostructured carbons modified with nickel as potential novel reversible hydrogen storage materials: Effects of nickel particle size 2019-01
- Nanostructured carbons modified with nickel as potential novel reversible hydrogen storage materials: Effects of nickel particle size (vol 273, pg 50, 2019) 2019
- DFT study of hydrogen adsorption on Ni/graphene 2018-03-29
- DFT Study of Adsorption and Diffusion of Atomic Hydrogen on Metal Surfaces 2017-05-15
- DFT Study of Hydrogen-Assisted Dissociation of CO by HCO, COH, and HCOH Formation on Fe(100) 2016-05-09
- Influence of coadsorbed H in CO dissociation and CHn formation on Fe(100): a DFT study 2015-07-04
- Molecular dynamics simulation of nanoindentation in Cr, Al layers and Al/Cr bilayers, using a hard spherical nanoindenter | Simulación del proceso de nanoindentación con dinámica molecular en capas de Cr y Al y bicapas de Al/Cr, empleando un nanoindentador esférico 2014
- Molecular dynamics simulations of nanoindentation in Cr, Ni, and Ni/Cr bilayer films using a hard spherical potential 2013-09-01
- Molecular dynamics simulations of the temperature effect in the hardness on Cr and CrN films 2012
- Finite elements modeling of multilayers of Cr/CrN 2008
- Simulation of band structure for CrN lattices by using a 3D array of range-limited circularly symmetric attractive potential 2008
- Influence of Pressure and Temperature on the Flexible Behavior of Iron-Based MIL-53 with the CO2 Host: A Comprehensive Experimental and DFT Study 0