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You searched for: Journal Journal of catalysis Remove constraint Journal: Journal of catalysis Publication year rev 7982-2018 Remove constraint Publication year rev: 7982-2018 Source 2018 v.364 Remove constraint Source: 2018 v.364
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1. 2D metal–organic-framework array-derived hierarchical network architecture of cobalt oxide flakes with tunable oxygen vacancies towards efficient oxygen evolution reaction

Author:
Yuanjian Li; Huanwen Wang; Yuzhu Li; Qiang Wang; Debao Li; Rui Wang; Beibei He; Yansheng Gong
Source:
Journal of catalysis 2018 v.364 pp. 48-56
ISSN:
0021-9517
Subject:
activation energy; catalysts; catalytic activity; cobalt; cobalt oxide; coordination polymers; density functional theory; electric power; electrical conductivity; electrodes; foams; hydrogen production; hydrogenation; nickel; oxygen; oxygen production
Abstract:
... The development of highly active dual-functional electrocatalysts, especially for oxygen evolution reaction (OER), is highly desirable to electrocatalyze water splitting for hydrogen production. Herein, a cobalt metal-organic frameworks (Co-MOFs) array is employed as the platform to fabricate oxygen-defect-rich Co₃O₄ flakes that are vertical grown on nickel foam substrates. This MOFs-derived Co₃O₄ ...
DOI:
10.1016/j.jcat.2018.05.006

2. A new molecular pathway allows the chemoselective reduction of nitroaromatics on non-noble metal catalysts

Author:
Reisel Millán; Lichen Liu; Mercedes Boronat; Avelino Corma
Source:
Journal of catalysis 2018 v.364 pp. 19-30
ISSN:
0021-9517
Subject:
adsorption; catalysts; catalytic activity; chemoselectivity; dissociation; hydrogen; hydrogenation; nickel; nitroaromatic compounds; nitrobenzenes; oxidation
Abstract:
... At difference with noble metals, the oxophylic character of non-noble metals strongly facilitates the rupture of the NO bonds in nitrobenzene, yielding nitrosobenzene as primary reaction intermediate. By combining periodic DFT calculations and kinetic studies, a direct pathway involving successive dissociation of NO bonds followed by two hydrogenation steps, Ph-NO₂ → Ph-NO → Ph-N → Ph-NH → Ph-NH₂, ...
DOI:
10.1016/j.jcat.2018.05.004

3. A regulatable oxidative valorization of furfural with aliphatic alcohols catalyzed by functionalized metal-organic frameworks-supported Au nanoparticles

Author:
Liangmin Ning; Shengyun Liao; Xuguang Liu; Pengfei Guo; Zhenya Zhang; Haigang Zhang; Xinli Tong
Source:
Journal of catalysis 2018 v.364 pp. 1-13
ISSN:
0021-9517
Subject:
catalysts; catalytic activity; condensation reactions; coordination polymers; esterification; ethanol; fuels; furfural; gold; methanol; nanogold; oxygen; reaction mechanisms; value added
Abstract:
... The oxidative upgrading of furfural (FUR) and aliphatic alcohols is an important way to produce desirable precursor of jet fuel or value-added furanic compound. Therein, developing a highly active catalytic system with switchable product selectivity still remains a challenge. In this work, we report a novel strategy on regulating the oxidative condensation and oxidative esterification of FUR with ...
DOI:
10.1016/j.jcat.2018.04.030

4. Aerobic oxidation of alkanes on icosahedron gold nanoparticle Au55

Author:
Aleksandar Staykov; Tetsuya Miwa; Kazunari Yoshizawa
Source:
Journal of catalysis 2018 v.364 pp. 141-153
ISSN:
0021-9517
Subject:
alcohols; catalysts; catalytic activity; cleavage (chemistry); cyclohexanes; density functional theory; dissociation; ethane; hydroxylation; ketones; methane; nanogold; oxidation; oxygen; propane; reaction mechanisms; temperature
Abstract:
... Aerobic oxidation of cyclohexane, propane, ethane, and methane to the corresponding alcohols was investigated over an Au55 gold nanoparticle with icosahedron symmetry using density functional theory. Reaction mechanisms were elucidated and activation barriers for catalytic CH bond cleavage and corresponding alcohols’ formation were estimated. Furthermore, on the basis of the reaction rate constant ...
DOI:
10.1016/j.jcat.2018.05.017

5. An unexpected formation of a Ru(III) benzylidene complex during activation of a LatMet-type ring-opening polymerisation catalyst

Author:
Anna Gawin; Paweł Małecki; Maciej Dranka; Janusz Zachara; Magdalena Skompska; Anna Kajetanowicz; Karol Grela
Source:
Journal of catalysis 2018 v.364 pp. 345-353
ISSN:
0021-9517
Subject:
X-ray diffraction; byproducts; catalysts; electrochemistry; polymerization; ruthenium; spectroscopy
Abstract:
... Upon activation with C₂Cl₆ known latent Ru metathesis catalyst LatMet (13) exhibited activity in RCM and in ROMP of DCPD. A by-product of such activation, an aryloxybenzylidene ruthenium(III) complex 17 have been independently synthesised by reacting 13 with C₂Cl₆. This unique complex was characterised by spectroscopic and electrochemical methods, and by X-ray crystallography. To the best to our k ...
DOI:
10.1016/j.jcat.2018.05.014

6. Catalytic thiophene oxidation by groups 4 and 5 framework-substituted zeolites with hydrogen peroxide: Mechanistic and spectroscopic evidence for the effects of metal Lewis acidity and solvent Lewis basicity

Author:
Daniel T. Bregante; Ami Y. Patel; Alayna M. Johnson; David W. Flaherty
Source:
Journal of catalysis 2018 v.364 pp. 415-425
ISSN:
0021-9517
Subject:
Lewis acids; Lewis bases; acetone; acetonitrile; acidity; active sites; adsorption; dioxane; enthalpy; ethanol; fossils; hydrogen peroxide; methanol; models; oxidation; oxygen; solvents; spectral analysis; sulfides; thiophene; zeolites; zirconium
Abstract:
... Group 4 (Ti and Zr) and 5 (Nb and Ta) atoms substituted into the *BEA zeolite framework (M-BEA) irreversibly activate hydrogen peroxide (H₂O₂) and form pools of metal-hydroperoxide (M-OOH) and peroxide (M-(η²-O₂)) intermediates active for the oxidation of 2,5-dimethylthiophene (C₆H₈S), a model reactant representative of organosulfur species in fossil reserves and chemical weapons. Sequential oxida ...
DOI:
10.1016/j.jcat.2018.06.009

7. Control of nitrogen activation ability by Co-Mo bimetallic nanoparticle catalysts prepared via sodium naphthalenide-reduction

Author:
Yuki Tsuji; Kiya Ogasawara; Masaaki Kitano; Kazuhisa Kishida; Hitoshi Abe; Yasuhiro Niwa; Toshiharu Yokoyama; Michikazu Hara; Hideo Hosono
Source:
Journal of catalysis 2018 v.364 pp. 31-39
ISSN:
0021-9517
Subject:
X-ray absorption spectroscopy; active sites; adsorption; ammonia; catalysts; ceric oxide; cobalt; desorption; dissociation; energy; nanoparticles; nitrogen; sodium; temperature
Abstract:
... Co-Mo bimetallic nanoparticles (NPs) with various compositions were prepared on a CeO₂ support (Co-Mo/CeO₂) by sodium naphthalenide driven reduction. The Co-Mo/CeO₂ catalyst exhibits much higher activity for ammonia synthesis than monometallic catalysts such as Co/CeO₂ and Mo/CeO₂, and the optimum activity is obtained at Co:Mo = 4:6. X-ray absorption fine structure (XAFS) analyses reveal that Co₃M ...
DOI:
10.1016/j.jcat.2018.04.029

8. Crystallization of ATO silicoaluminophosphates nanocrystalline spheroids using a phase-transfer synthetic strategy for n-heptane hydroisomerization

Author:
Tao Yue; Wei Liu; Liyuan Li; Xiaoling Zhao; Kake Zhu; Xinggui Zhou; Weimin Yang
Source:
Journal of catalysis 2018 v.364 pp. 308-327
ISSN:
0021-9517
Subject:
acidity; catalytic activity; crystallization; emulsions; heptane; ingredients; isomers; nanocrystals; silica; surface area; temperature; toluene
Abstract:
... Changing size and shape of zeolitic crystals brings about enhanced diffusion properties and related promotion of catalytic performances. This work puts forward a phase-transfer synthetic strategy to generate ATO nanocrystalline silicoaluminophosphates spheroids under tumbling crystallization using aluminum isopropoxide dissolved in toluene and other ingredients (fumed silica/phosphoric acid/Di-n-h ...
DOI:
10.1016/j.jcat.2018.06.003

9. Dependence of the plasmonic activity of Au/TiO2 for the decomposition of 2-naphthol on the crystal form of TiO2 and Au particle size

Author:
Shin-ichi Naya; Hiroaki Tada
Source:
Journal of catalysis 2018 v.364 pp. 328-333
ISSN:
0021-9517
Subject:
2-naphthol; adsorption; electrodes; gold; irradiation; nanogold; particle size; photocatalysis; photocatalysts; photovoltaic cells; porous media; surface area; surface plasmon resonance; titanium dioxide
Abstract:
... Gold nanoparticles (Au NPs) were loaded on rutile (R)- and anatase (A)-TiO₂ with the mean size varied and the loading amount maintained constant by the heating temperature-varied deposition-precipitation technique. Loading Au NPs on R-TiO₂ (Au/R-TiO₂) dramatically enhances the plasmonic photocatalytic activity for the decomposition of 2-naphthol under visible-light irradiation (λₑₓ > 430 nm), wher ...
DOI:
10.1016/j.jcat.2018.06.008

10. Dioxygen activation routes in Mars-van Krevelen redox cycles catalyzed by metal oxides

Author:
Stephanie Kwon; Prashant Deshlahra; Enrique Iglesia
Source:
Journal of catalysis 2018 v.364 pp. 228-247
ISSN:
0021-9517
Subject:
catalysts; dehydrogenation; density functional theory; enzymes; epoxidation reactions; epoxides; hydrogen peroxide; oxygen
Abstract:
... Catalytic redox cycles involve dioxygen activation via peroxo (OO∗) or H₂O₂ species, denoted as inner-sphere and outer-sphere routes respectively, for metal-oxo catalysts solvated by liquids. On solid oxides, O₂ activation is typically more facile than the reduction part of redox cycles, making kinetic inquiries difficult at steady-state. These steps are examined here for oxidative alkanol dehydro ...
DOI:
10.1016/j.jcat.2018.05.016

11. Does hierarchical structure affect the shape selectivity of zeolites? Example of transformation of n-hexane in hydroisomerization

Author:
Petr Sazama; Jana Pastvova; Dalibor Kaucky; Jaroslava Moravkova; Jiri Rathousky; Ivo Jakubec; Galina Sadovska
Source:
Journal of catalysis 2018 v.364 pp. 262-270
ISSN:
0021-9517
Subject:
hexane; isomerization; isomers; models; porous media; zeolites
Abstract:
... The large mesoporous surfaces of hierarchical zeolites without confinement of the active sites leads to the question of whether the shape selectivity of these zeolites is essentially altered. The hydroisomerization of n-hexane to mono- and dibranched C₆ isomers was carried out as a model reaction governed by the shape selectivity to obtain insight into the effects of the secondary mesoporous struc ...
DOI:
10.1016/j.jcat.2018.05.010

12. Dopant segregation and CO adsorption on doped Fe3O4 (1 1 1) surfaces: A first-principle study

Author:
Zhaoming Fu; Bowen Yang; Ying Zhang; Na Zhang; Zongxian Yang
Source:
Journal of catalysis 2018 v.364 pp. 291-296
ISSN:
0021-9517
Subject:
adsorption; catalysts; catalytic activity; hydrogen; industry; iron oxides
Abstract:
... The water–gas shift reactions (WGS) used to produce hydrogen in industry are usually catalyzed by iron-based catalysts, in which the Fe₃O₄ was confirmed to be the catalytically active phase of iron oxide. In this work, based on the first-principle simulations, we theoretically study the relation between the dopant segregation and activities of the doped Fe₃O₄ for adsorbing CO. The surface electron ...
DOI:
10.1016/j.jcat.2018.05.027

13. Effects of divalent metal ions of hydrotalcites on catalytic behavior of supported gold nanocatalysts for chemoselective hydrogenation of 3-nitrostyrene

Author:
Yuan Tan; Xiao Yan Liu; Lin Li; Leilei Kang; Aiqin Wang; Tao Zhang
Source:
Journal of catalysis 2018 v.364 pp. 174-182
ISSN:
0021-9517
Subject:
Fourier transform infrared spectroscopy; adsorption; aniline; catalysts; catalytic activity; chemoselectivity; divalent metals; gold; hydrogen; hydrogenation; hydrotalcite; magnesium; metal ions; nanogold; nanoparticles; nickel; particle size; zinc
Abstract:
... The effect of the divalent metal ions on the hydrotalcite (HT) (MAl-HT; M = Mg, Zn, Ni)-supported thiolated Au₂₅ nanoclusters (NCs) as the precatalysts for the chemoselective hydrogenation of 3-nitrostyrene to 3-vinylaniline was investigated. The highest chemoselectivity was obtained over the Au₂₅/ZnAl-HT-300 (calcined at 300 °C) catalyst, with a maintained selectivity of desired product above 98% ...
DOI:
10.1016/j.jcat.2018.05.007

14. Ethene oxychlorination over CuCl2/γ-Al2O3 catalyst in micro- and millistructured reactors

Author:
Zuzana Vajglová; Narendra Kumar; Kari Eränen; Markus Peurla; Dmitry Yu. Murzin; Tapio Salmi
Source:
Journal of catalysis 2018 v.364 pp. 334-344
ISSN:
0021-9517
Subject:
Fourier transform infrared spectroscopy; X-radiation; carbon dioxide; catalysts; catalytic activity; chlorides; desorption; ethylene; nitrogen; potassium; pyridines; scanning electron microscopy; sodium; transmission electron microscopy
Abstract:
... Oxychlorination of ethene was performed over CuCl₂/γ-Al₂O₃ catalyst in a microreactor (460 µm in diameter) and for comparison in a millireactor (1 cm in diameter). A copper-modified catalyst was prepared by a conventional evaporation–impregnation method without any promotors (e.g., K, Na, La) using copper (II) chloride as a precursor. The catalyst was characterized by nitrogen physisorption, Fouri ...
DOI:
10.1016/j.jcat.2018.05.019

15. Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation

Author:
Yanan Liu; Alan J. McCue; Junting Feng; Shaoliang Guan; Dianqing Li; James A. Anderson
Source:
Journal of catalysis 2018 v.364 pp. 204-215
ISSN:
0021-9517
Subject:
acetylene; adsorption; carbon; crystal structure; desorption; ethylene; heat treatment; hydrogen; hydrogen sulfide; hydrogenation; palladium; sulfur; temperature
Abstract:
... Unsupported, bulk phase palladium sulfide has been studied for the selective hydrogenation of acetylene. The sample underwent significant change during thermal pretreatments, the extent of which depends on temperature. Exposure to hydrogen at temperatures of 150 °C or above results in the loss of sulfur from the sample, primarily as hydrogen sulfide. As sulfur is lost, the sample is progressively ...
DOI:
10.1016/j.jcat.2018.05.018

16. Heterogeneous photo-catalysis from the perspective of the adsorbed state. The photo-oxidation of propan-2-ol to propan-2-one on rutile titanium dioxide

Author:
Roger I. Bickley; Gerald R. Garside
Source:
Journal of catalysis 2018 v.364 pp. 89-101
ISSN:
0021-9517
Subject:
adsorption; crystallites; gases; photooxidation; sorption isotherms; titanium dioxide; ultraviolet radiation
Abstract:
... O₂-titrations accompanying ESR, adsorption isotherm and TPD studies of well-crystallised powdered rutile provide insights into the nature of the reduced surface following adsorption of propan-2-ol at 300 K. Estimates have been made of the mean dimensions of the octa-decahedral micro-crystallites, and of the manner in which UV-A radiation penetrates into a randomised particle-bed. The reduced surfa ...
DOI:
10.1016/j.jcat.2018.04.023

17. High performance V2O5/MgF2 catalysts for gas-phase dehydrofluorination of 1,1,1,3,3-pentafluoropropane: Support-induced evolution of new active sites

Author:
Jian-Dong Song; Tong-Yang Song; Ting-Ting Zhang; Yun Wang; Meng-Fei Luo; Ji-Qing Lu
Source:
Journal of catalysis 2018 v.364 pp. 271-281
ISSN:
0021-9517
Subject:
activation energy; catalysts; gases; reaction mechanisms; vanadium
Abstract:
... A series of supported V₂O₅/MgF₂ catalysts were prepared and tested for dehydrofluorination of 1,1,1,3,3-pentafluoropropane (HFC-245fa) to synthesize 1,3,3,3-tetrafluoropropene (HFO-1234ze). The addition of V₂O₅ in MgF₂ resulted in up to 5-fold increase in HFC-245fa conversion (from 19.2 to 95.2%) and much enhanced catalyst stability. Characterization results revealed that the dehydrofluorination i ...
DOI:
10.1016/j.jcat.2018.04.014

18. Highly selective electrocatalytic reduction of CO2 to formate over Tin(IV) sulfide monolayers

Author:
Jia He; Xijun Liu; Haoxuan Liu; Zhe Zhao; Yi Ding; Jun Luo
Source:
Journal of catalysis 2018 v.364 pp. 125-130
ISSN:
0021-9517
Subject:
carbon cycle; carbon dioxide; catalysts; durability; electrochemistry; formates; fuels; hydrogenation; renewable energy sources; sulfides; tin
Abstract:
... The electrochemical reduction of CO₂ to fuels or valuable chemicals is an attractive method for satisfying the requirements of renewable energy storage and the artificial carbon cycle. In this study, SnS₂ monolayers were applied as a robust catalyst for the electroreduction of CO₂, enabling the efficient production of HCCO⁻ with a high faradaic efficiency of 94 ± 5% and excellent long-term durabil ...
DOI:
10.1016/j.jcat.2018.05.005

19. Mechanistic investigations on asymmetric N-H insertion of amines catalyzed by palladium-chiral guanidine complex

Author:
Jing Li; Zhishan Su; Junming Wang; Changwei Hu
Source:
Journal of catalysis 2018 v.364 pp. 426-436
ISSN:
0021-9517
Subject:
Lewis acids; Lewis bases; activation energy; amines; aromatic compounds; catalysts; catalytic activity; energy; guanidines; hydrogen bonding; ligands; methylene chloride; moieties; nitrogen; palladium; stereoselectivity
Abstract:
... The mechanism and stereoselectivity of the asymmetric N-H insertion reactions between α-diazocarbonyl compounds and amines mediated by palladium-chiral guanidine complexes were investigated at the BP86-D3(BJ)/def2TZVP (SMD, CH₂Cl₂)//BP86-D3(BJ)/def2SVP (SMD, CH₂Cl₂) level at 303 K. The non-catalytic reaction occurred through a stepwise mechanism, with a high activation barrier of 56.4 kcal mol⁻¹. ...
DOI:
10.1016/j.jcat.2018.06.005

20. Methanol oxidation on the Au(3 1 0) surface: A theoretical study

Author:
Gabriele Tomaschun; Wilke Dononelli; Yong Li; Marcus Bäumer; Thorsten Klüner; Lyudmila V. Moskaleva
Source:
Journal of catalysis 2018 v.364 pp. 216-227
ISSN:
0021-9517
Subject:
active oxygen species; adsorption; dissociation; formaldehyde; gold; methanol; molecular models; oxidation; oxygen; theoretical models
Abstract:
... This work establishes a comprehensive analysis of the role of steps and kinks of the Au(3 1 0) surface in the generation of active oxygen species and elucidates the reaction pathway for methanol oxidation to formaldehyde. We have considered two possibilities for the OO bond splitting in molecular O₂: via a dissociative O₂ adsorption or a direct reaction of O₂ with methanol. Both reaction pathways ...
DOI:
10.1016/j.jcat.2018.05.020