Search Results - "Galvan, D.H."
-
1
Support effects of NiW hydrodesulfurization catalysts from experiments and DFT calculations
Published in Applied catalysis. B, Environmental (15-12-2018)“…[Display omitted] •W dispersion was measured by UV–vis DRS characterization.•Activity correlates with WOxSy phase formed under reaction conditions.•Promoted…”
Get full text
Journal Article -
2
Synergetic effect in RuxMo(1-x)S2/SBA-15 hydrodesulfurization catalysts: Comparative experimental and DFT studies
Published in Applied catalysis. B, Environmental (15-08-2019)“…[Display omitted] •Ru-Mo/SBA-15 catalysts exhibit synergetic effect between Ru and Mo in the HDS of DBT reaction.•The introduction of optimized amount of Ru…”
Get full text
Journal Article -
3
Electronic properties of unsupported trimetallic catalysts
Published in Catalysis today (01-03-2014)“…•Computational calculations were carried out on terms of extended Hückel method.•The trimetallic unsupported M–Mo–W–S (M=Ni, Co, Fe or Cu) sulfide catalysts…”
Get full text
Journal Article -
4
Insight of 1D [GREEK SMALL LETTER GAMMA]-Al2O3 nanorods decoration by NiWS nanoslabs in ultra-deep hydrodesulfurization catalyst
Published in Journal of catalysis (01-01-2015)“…Display Omitted * 1D-[GREEK SMALL LETTER GAMMA]-Al2O3 nanorods were used to prepare a NiW hydrodesulfurization catalyst. * Highly distributed NiWS phases were…”
Get full text
Journal Article -
5
Experimental and theoretical properties of S–Mo–Co–S clusters
Published in Applied catalysis. A, General (30-04-2011)“…Our research provides evidence for the existence of S–Mo–S, S–Mo–Co–S and S–Mo–Co–S with rotated planes nano wires. This evidence was proved by means of High…”
Get full text
Journal Article -
6
Preparation and microstructure characterization of novel La2−xSr2−xNb2O10−x oxides
Published in Materials letters (30-06-2011)“…The aim of the present work is to report the study of samples with the La2−xSr2−xNb2O10−x stoichiometry obtained under different synthesis conditions. The…”
Get full text
Journal Article -
7
Pt and Ir supported on mixed Ce0.97Ru0.03O2 oxide as low-temperature CO oxidation catalysts
Published in Catalysis today (01-06-2022)“…[Display omitted] •Outstanding sinergy among Pt or Ir supported on a mixed oxide Ce0.97Ru0.03O2.•CO oxidation pathway in CeRuO2 suggests that CO is adsorbed on…”
Get full text
Journal Article -
8
Aluminum distribution in mordenite-zeolite framework: A new outlook based on density functional theory calculations
Published in Journal of solid state chemistry (01-02-2022)“…On the basis of the density functional theory (DFT) calculations, the successive isomorphic substitution of one to six tetrahedrally coordinated Si cations by…”
Get full text
Journal Article -
9
The effect of chemical composition on the properties of LTA zeolite: A theoretical study
Published in Computational materials science (01-08-2021)“…[Display omitted] •The electronic properties of the LTA-type zeolites were studied by DFT computations.•Non-Löwensteinian configuration is energetically more…”
Get full text
Journal Article -
10
High resolution TEM studies of carbon nanotubes produced by spray pyrolysis
Published in Optical materials (01-10-2006)“…Multi-wall carbon nanotubes were grown inside a quartz tube by spray pyrolysis of ferrocene/benzene under gas flow. High resolution transmission electron…”
Get full text
Journal Article Conference Proceeding -
11
Insight of 1D γ-Al2O3 nanorods decoration by NiWS nanoslabs in ultra-deep hydrodesulfurization catalyst
Published in Journal of catalysis (01-01-2015)“…[Display omitted] •1D-γ-Al2O3 nanorods were used to prepare a NiW hydrodesulfurization catalyst.•Highly distributed NiWS phases were located all over the…”
Get full text
Journal Article -
12
Theoretical justification of stable ferromagnetism in ferroelectric BiFeO3 by first-principles
Published in Computational materials science (15-06-2019)“…[Display omitted] •DFT study demonstrates the stability of an observed ferromagnetic order in BiFeO3.•Such a novel macroscopic ferromagnetism coexist with the…”
Get full text
Journal Article -
13
Experimental and theoretical study of the electronic properties of CoSi2 and NiSi2
Published in Applied surface science (31-05-2004)Get full text
Journal Article -
14
Experimental and theoretical study of the electronic properties of CoSi 2 and NiSi 2
Published in Applied surface science (31-05-2004)“…Electronic structure of Co and Ni silicides were studied by means of the spectral properties of XPS high-resolution measurements together with theoretical…”
Get full text
Journal Article -
15
Graphene nanostructures functionalization: Hydrogen bonds and oxide coverage effect
Published in Materials today communications (01-08-2023)Get full text
Journal Article -
16
First-principles study of the structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure
Published in Journal of molecular structure (05-12-2016)“…The structural, elastic, vibrational, thermodynamic and electronic properties of the Mo2B intermetallic under pressure are assessed using first-principles…”
Get full text
Journal Article -
17
Trimetallic NiMoW unsupported catalysts for HDS
Published in Applied catalysis. A, General (15-01-2009)“…In this work, the preparation of trimetallic unsupported NiMoW sulfide catalysts by decomposition-sulfidation of bimetallic Mo-W thiosalts precursors…”
Get full text
Journal Article -
18
Nondestructive interactions of carbon nanotubes with Bi 2Sr 2CaCu 2O 8
Published in Physica. C, Superconductivity (2004)“…Experimental evidence is presented for the intercalation of carbon nanotubes (CNs) in polycrystalline Bi 2Sr 2CaCu 2O 8 (BSCCO) samples at the 12 wt.%-CN…”
Get full text
Journal Article -
19
A DFT study of copper-oxide clusters embedded in dry and water-immersed siliceous mordenite
Published in Computational materials science (01-08-2015)“…[Display omitted] •Configurations for Mordenite/Cu2Ox composites were studied by DFT-method.•Electronic properties for Dry and water-immerse composites were…”
Get full text
Journal Article -
20
Superconductivity of NbSe 2 samples subjected to electron irradiation
Published in Physica. C, Superconductivity (2003)“…Magnetization measurements on NbSe 2 samples subjected to 100, 250, and 500 Mrad of electron irradiation revealed an enhancement in the critical current…”
Get full text
Journal Article