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You searched for: Journal name Journal of catalysis Remove constraint Journal name: Journal of catalysis Subject term carbon Remove constraint Subject term: carbon
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1. Activation energy of hydride transfer between isobutane molecules on USY zeolite. First direct experimental measurement by in situ MAS NMR using mixtures of isotopomers

Author:
Sophie Borghèse; Mohamed Haouas; Jean Sommer; Francis Taulelle
Source:
Journal of catalysis 2013 v.305 no. pp. 130-134
ISSN:
0021-9517
Subject:
activation energy; butanes; carbon; chemical bonding; deuterium; hydrides; isotope labeling; nuclear magnetic resonance spectroscopy; process energy; stable isotopes; temperature; zeolites
Abstract:
... In situ¹³C and ¹H MAS NMR study of hydride transfer between ¹³C and ²H isotopically labeled isobutanes on acidic zeolites enabled to estimate the activation energy of this process for the first time and allow full re-evaluation of C–H bond activation mechanism at moderate temperatures. The hydride transfer was shown to occur on the methine position of the molecule. The rates of the intermolecular ...
DOI:
10.1016/j.jcat.2013.05.004

2. Active and stable Fe-based catalyst, mechanism, and key role of alkali promoters in ammonia synthesis

Author:
Walid Al Maksoud; Rohit K. Rai; Natalia Morlanés; Moussab Harb; Rafia Ahmad; Samy Ould-Chikh; Dalaver Anjum; Mohamed N. Hedhili; Bedour E. Al-Sabban; Khalid Albahily; Luigi Cavallo; Jean-Marie Basset
Source:
Journal of catalysis 2021 v.394 pp. 353-365
ISSN:
0021-9517
Subject:
Gibbs free energy; activation energy; active sites; alkali metals; ammonia; carbon; carbon dioxide; catalysts; catalytic activity; emissions; iron; leaves; methane production; nitrogen; pressure; pyrolysis; synthesis
Abstract:
... Worldwide NH₃ production reached 0.18 Gton in 2019, and 1–2% of the global CO₂ emissions are due to large-scale NH₃ synthesis (1 billion tons of CO₂ / year). A catalyst for ammonia synthesis has been obtained by pyrolysis of iron phthalocyanine (FePc) precursor under N₂, followed by impregnation with alkali metals (Na, Li, K, and Cs) and H₂ treatment. Characterization (XPS, XRD, HR-TEM, ICP-OES, T ...
DOI:
10.1016/j.jcat.2020.10.031

3. Active sites and mechanism on nitrogen-doped carbon catalyst for hydrogen evolution reaction

Author:
Gui-fa Long; Kai Wan; Ming-yao Liu; Zhen-xing Liang; Jin-hua Piao; Panagiotis Tsiakaras
Source:
Journal of catalysis 2017 v.348 pp. 151-159
ISSN:
0021-9517
Subject:
active sites; carbon; catalysts; desorption; electrochemistry; hydrogen production; nitrogen; nitrogen content; pH
Abstract:
... The nature of active sites and mechanism of hydrogen evolution reaction (HER) on the nitrogen-doped carbon catalyst is extensively investigated, by combining physicochemical and electrochemical methods. Two carbon catalysts, with the same chemical nature but different nitrogen content, are employed in this investigation. Electrochemical methods are applied to investigate the electrochemical behavi ...
DOI:
10.1016/j.jcat.2017.02.021

4. Adsorption energy-driven carbon number-dependent olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis

Author:
Yanying Qi; Cristian Ledesma; Jia Yang; Xuezhi Duan; Yi-An Zhu; Anders Holmen; De Chen
Source:
Journal of catalysis 2017 v.349 pp. 110-117
ISSN:
0021-9517
Subject:
Fischer-Tropsch reaction; activation energy; adsorption; carbon; catalysts; cobalt; density functional theory; ethylene; hydrogenation; olefin; van der Waals forces
Abstract:
... The factor dominating olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis has been identified via experimental kinetic studies and theoretical calculations including the van der Waals interaction between the adsorbates and Co surfaces. The olefin to paraffin ratio for each carbon number is expressed as a function of adsorption energies of olefin and activation energies of hydrog ...
DOI:
10.1016/j.jcat.2017.03.008

5. Adsorption thermodynamics of C1–C4 alcohols in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22

Author:
Cuong M. Nguyen; Marie-Françoise Reyniers; Guy B. Marin
Source:
Journal of catalysis 2015 v.322 pp. 91-103
ISSN:
0021-9517
Subject:
adsorption; butanol; carbon; enthalpy; entropy; porosity; van der Waals forces; zeolites
Abstract:
... The adsorption thermodynamics of C1–C4 primary alcohols in large-pore (H-FAU and H-MOR) and medium-pore (H-ZSM-5 and H-ZSM-22) zeolites is quantified using combined periodic DFT-D – statistical thermodynamic calculations. The increase of adsorption equilibrium coefficients with increasing carbon number of the alcohol and with decreasing pore size of the zeolite is attributed to the well-known disp ...
DOI:
10.1016/j.jcat.2014.11.013

6. Alkane reforming on partially sulfided CeO2 (111) surfaces

Author:
Matthew D. Krcha; Kerry M. Dooley; Michael J. Janik
Source:
Journal of catalysis 2015 v.330 pp. 167-176
ISSN:
0021-9517
Subject:
adsorption; biomass; carbon; catalysts; ceric oxide; dehydrogenation; density functional theory; desorption; gasification; hydrides; hydrogen sulfide; manganese; methane; oxygen; propane; sorbents; sulfur
Abstract:
... Cleanup of biomass gasification effluent requires a catalyst that can reform methane and larger hydrocarbons while tolerating the presence of H2S or, ideally, that can act as a sulfur sorbent while reforming hydrocarbons. We utilize density functional theory (DFT) methods to examine the impact of oxide sulfidation on the reforming of methane and the initial steps of propane reforming, using M-dope ...
DOI:
10.1016/j.jcat.2015.07.002

7. Ambient pressure X-ray photoelectron spectroscopy during electrochemical promotion of ethylene oxidation over a bimetallic Pt–Ag/YSZ catalyst

Author:
Arafat Toghan; Rosa Arrigo; Axel Knop-Gericke; Ronald Imbihl
Source:
Journal of catalysis 2012 v.296 no. pp. 99-109
ISSN:
0021-9517
Subject:
X-ray photoelectron spectroscopy; adsorption; carbon; carbon dioxide; catalysts; electrochemistry; ethylene; oxidation; oxygen; yttrium
Abstract:
... The electrochemical promotion of the C₂H₄+O₂ reaction over a bimetallic Pt/Ag catalyst (Pt:Ag ratio≈1.5) interfaced to yttrium stabilized zirconia (YSZ) has been studied at 0.25mbar and T=650K using X-ray photoelectron spectroscopy as in situ method. Applying a positive potential of 2V causes a relative rate increase in the CO₂ production up to 120%; the electrocatalytic promotion effect is non-Fa ...
DOI:
10.1016/j.jcat.2012.09.006

8. Aminated poly(ethylene glycol) methacrylate resins as stable heterogeneous catalysts for the aldol reaction in water

Author:
Anton De Vylder; Jeroen Lauwaert; Jeriffa De Clercq; Pascal Van Der Voort; Christopher W. Jones; Joris W. Thybaut
Source:
Journal of catalysis 2020 v.381 pp. 540-546
ISSN:
0021-9517
Subject:
Fourier transform infrared spectroscopy; Lewis bases; acetone; active sites; batch systems; carbon; catalysts; catalytic activity; chlorination; ethylenediamines; hexane; hydrogels; hydrolysis; leaching; methylamine; moieties; nuclear magnetic resonance spectroscopy; polyethylene glycol; polymerization; resins; secondary amines; silica; solvents; stable isotopes
Abstract:
... Amine functionalized silicas have frequently been investigated as potential aldol reaction catalysts. However, active site leaching due to hydrolysis cannot be avoided, limiting the long-term stability of these catalysts in aqueous aldol reactions. Therefore, novel catalysts based on an organic resin have been developed starting from a suspension polymerized poly(ethylene glycol) methacrylate (PEG ...
DOI:
10.1016/j.jcat.2019.11.027

9. Antiferromagnetically coupled [Fe8S9] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCPCh: Insights from QM/MM calculations

Author:
Rong-Zhen Liao; Jing-Xuan Zhang; Zhenyang Lin; Per E.M. Siegbahn
Source:
Journal of catalysis 2021 v.398 pp. 67-75
ISSN:
0021-9517
Subject:
acetylene; acetylene reduction; carbon; catalytic activity; electron transfer; enzymes; ethylene; oxidation; protonation; reaction mechanisms
Abstract:
... QM/MM calculations have been used to elucidate the reaction mechanism of the reduction of acetylene to ethylene catalyzed by a nitrogenase-like enzyme DCCPCₕ with an unusual [Fe₈S₉] double-cubane cluster. Various plausible reaction pathways, involving different oxidation states and protonation states of the iron-sulfur cluster, have been analyzed to find the most favorable one. The acetylene subst ...
DOI:
10.1016/j.jcat.2021.04.009

10. Application of palladium complexes bearing acyclic amino(hydrazido)carbene ligands as catalysts for copper-free Sonogashira cross-coupling

Author:
Svetlana A. Timofeeva; Mikhail A. Kinzhalov; Elena A. Valishina; Konstantin V. Luzyanin; Vadim P. Boyarskiy; Tatyana M. Buslaeva; Matti Haukka; Vadim Yu. Kukushkin
Source:
Journal of catalysis 2015 v.329 pp. 449-456
ISSN:
0021-9517
Subject:
X-ray diffraction; alkynes; carbenes; carbon; catalysts; cross-coupling reactions; ethanol; ligands; nuclear magnetic resonance spectroscopy; organoiodine compounds; palladium; stable isotopes
Abstract:
... Metal-mediated coupling of one isocyanide in cis-[PdCl2(CNR¹)2] (R¹=C6H11 (Cy) 1, tBu 2, 2,6-Me2C6H3 (Xyl) 3, 2-Cl-6-MeC6H34) and various carbohydrazides R²CONHNH2 [R²=Ph 5, 4-ClC6H46, 3-NO2C6H47, 4-NO2C6H48, 4-CH3C6H49, 3,4-(MeO)2C6H310, naphth-1-yl 11, fur-2-yl 12, 4-NO2C6H4CH213, Cy 14, 1-(4-fluorophenyl)-5-oxopyrrolidine-3-yl 15, (pyrrolidin-1-yl)C(O) 16, 3-(3,5-di-tert-butyl-4-hydroxyphenyl)p ...
DOI:
10.1016/j.jcat.2015.06.001

11. Aqua regia activated Au/C catalysts for the hydrochlorination of acetylene

Author:
Marco Conte; Catherine J. Davies; David J. Morgan; Thomas E. Davies; David J. Elias; Albert F. Carley; Peter Johnston; Graham J. Hutchings
Source:
Journal of catalysis 2013 v.297 no. pp. 128-136
ISSN:
0021-9517
Subject:
acetylene; carbon; catalysts; gases; gold; hydrochloric acid; nanogold; nitric acid; oxidation; solvents; temperature; vinyl chloride
Abstract:
... Au/C catalysts are effective materials for the gas phase hydrochlorination of acetylene to vinyl chloride monomer, and to date, the most effective catalyst preparation protocol makes use of impregnation using aqua regia. In the present study, the effect of this solvent is evaluated and discussed in detail by modifying the ratio of HCl and HNO₃ and the temperature of the impregnation step. These fa ...
DOI:
10.1016/j.jcat.2012.10.002

12. Arenesulfonic acid-functionalized alkyl-bridged organosilica hollow nanospheres for selective esterification of glycerol with lauric acid to glycerol mono- and dilaurate

Author:
Sai An; Yingnan Sun; Daiyu Song; Qingqing Zhang; Yihang Guo; Qingkun Shang
Source:
Journal of catalysis 2016 v.342 pp. 40-54
ISSN:
0021-9517
Subject:
acidity; biphenyl; carbon; catalytic activity; dodecanoic acid; esterification; glycerol; hydrophobicity; moieties; nanohybrids; nanospheres; porosity; silica; silicon
Abstract:
... A series of arenesulfonic acid-functionalized alkyl-bridged organosilica hollow nanospheres, Si(R)Si-ArSO3H-HNS, with different bridging alkyl groups such as ethyl, phenyl, or biphenyl in the silica/carbon framework were successfully fabricated by a P123-directed sol–gel co-condensation route and carefully adjusted the concentration of micelle-expanding agent and the acidity in the starting prepar ...
DOI:
10.1016/j.jcat.2016.07.004

13. Atmosphere induced amorphous and permeable carbon layer encapsulating PtGa catalyst for selective cinnamaldehyde hydrogenation

Author:
Tianli Hui; Chenglin Miao; Junting Feng; Yanan Liu; Qian Wang; Yanfei Wang; Dianqing Li
Source:
Journal of catalysis 2020 v.389 pp. 229-240
ISSN:
0021-9517
Subject:
adsorption; alloys; carbon; carbon dioxide; catalysts; encapsulation; gallium; hydrogen; hydrogenation; platinum
Abstract:
... In this work, an alloy catalyst with C@PtGa interface structure was synthesized under H₂/CO₂ atmosphere by using PtCl₆²⁻/MgAlGa-LDHs as precursor. Cs-corrected STEM, EELS and CO chemisorption clearly confirmed the PtGa alloy particles were well covered by amorphous carbon thin layer with the characteristics of porous and permeable. In selective cinnamaldehyde hydrogenation, the C@PtGa catalyst sho ...
DOI:
10.1016/j.jcat.2020.05.036

14. Atomically dispersed Ptn+ species as highly active sites in Pt/In2O3 catalysts for methanol synthesis from CO2 hydrogenation

Author:
Zhe Han; Chizhou Tang; Jijie Wang; Landong Li; Can Li
Source:
Journal of catalysis 2021 v.394 pp. 236-244
ISSN:
0021-9517
Subject:
active sites; carbon; carbon dioxide; catalysts; hydrogen; hydrogenation; methanol; nanoparticles; platinum; renewable energy sources; working conditions
Abstract:
... Hydrogenation of CO₂ into methanol using the H₂ produced from renewable energy is a promising way for carbon capture and utilization. Therefore, the methanol synthesis catalysts with high methanol selectivity are highly desired. In this work, we found that the methanol selectivity of In₂O₃ catalyst can be significantly enhanced by introducing a small amount of Pt. Methanol selectivity can be incre ...
DOI:
10.1016/j.jcat.2020.06.018

15. Au@CeO2 nanoparticles supported Pt/C electrocatalyst to improve the removal of CO in methanol oxidation reaction

Author:
Dung Van Dao; Ganpurev Adilbish; Thanh Duc Le; Thuy T.D. Nguyen; In-Hwan Lee; Yeon-Tae Yu
Source:
Journal of catalysis 2019 v.377 pp. 589-599
ISSN:
0021-9517
Subject:
carbon; catalysts; ceric oxide; commercialization; electrochemistry; electrophoresis; fuel cells; gold; methanol; nanoparticles; oxidation; platinum; renewable energy sources; soot; surface area
Abstract:
... Direct methanol fuel cells (DMFCs) are emerging as clean and renewable energy sources for global-scale sustainable energy solutions. However, several limitations of the current standard catalyst (platinum supported carbon black: Pt/C) prevent their commercialization. As an effective co-catalyst, Au@CeO2 core-shell structures are greatly advantageous for getting over the remaining hurdles of Pt/C i ...
DOI:
10.1016/j.jcat.2019.07.054

16. Balance between favored activity and side reactions of nitrogen doped carbon as cathode material in Lithium-oxygen battery

Author:
Zhipeng Lin; Guofeng Liang; Yinlong Wu; Guoju Huang; Jiawang Li; Hao Zhang; Jian Chen; Fangyan Xie; Yanshuo Jin; Hui Meng
Source:
Journal of catalysis 2020 v.383 pp. 199-205
ISSN:
0021-9517
Subject:
carbon; catalysts; cathodes; electrochemistry; electrolytes; lithium batteries; nitrogen; nitrogen content; oxygen production; working conditions
Abstract:
... This work reveals a balance between the improved oxygen reduction reaction/oxygen evolution reaction activity of nitrogen doped carbon and the concomitant activity in the decomposition of the electrolyte of the Lithium-oxygen battery. The capacity and cyclability of Lithium-oxygen battery increase with the nitrogen content to a vertex, then decrease with higher nitrogen content. The largest capaci ...
DOI:
10.1016/j.jcat.2020.01.030

17. Behaviour of Platinum-Tin during CO2-assisted propane dehydrogenation: Insights from quick X-ray absorption spectroscopy

Author:
Nadadur Veeraraghavan Srinath; Hilde Poelman; Lukas Buelens; Jolien Dendooven; Marie-Françoise Reyniers; Guy B. Marin; Vladimir V. Galvita
Source:
Journal of catalysis 2022 v.408 pp. 356-371
ISSN:
0021-9517
Subject:
X-ray absorption spectroscopy; active ingredients; alloys; carbon; carbon dioxide; catalysts; catalytic activity; dehydrogenation; oxidation; propane; surface area
Abstract:
... CO₂-assisted propane dehydrogenation has been studied on Pt-Sn/MgAl₂O₄ catalysts with support surface area of ~ 127 m²/g or ~ 5 m²/g, 3 wt% Pt and a Pt/Sn molar ratio of 3/1. In situ XAS was employed to track the dynamic changes occurring to the catalyst in presence of a reductive (H₂) or oxidative (CO₂) atmosphere. Reduction leads to the formation of a Pt-Sn alloy, the active compound for propane ...
DOI:
10.1016/j.jcat.2021.08.041

18. Bi-functional electrocatalysis through synergetic coupling strategy of atomically dispersed Fe and Co active sites anchored on 3D nitrogen-doped carbon sheets for Zn-air battery

Author:
Yan Luo; Jie Zhang; Jinwei Chen; Yihan Chen; Chenyang Zhang; Yingjian Luo; Gang Wang; Ruilin Wang
Source:
Journal of catalysis 2021 v.397 pp. 223-232
ISSN:
0021-9517
Subject:
batteries; carbon; catalysts; catalytic activity; density functional theory; durability; electrochemistry; nanosheets; oxygen production; synergism
Abstract:
... Single atom catalysts (SACs) with unique structure gain much interest in the field of electrocatalysis and show a broad application prospect in long-life rechargeable Zn-air batteries. However, ingenious design and preparation of bi-metal SACs is still difficult to further enhance the bifunctional electrocatalytic activity. Herein, modified zeolitic imidazolate frameworks (SiO₂@Fe-ZIF-8/67) was fa ...
DOI:
10.1016/j.jcat.2021.03.030

19. Bifunctional transalkylation and hydrodeoxygenation of anisole over a Pt/HBeta catalyst

Author:
Xinli Zhu; Lance L. Lobban; Richard G. Mallinson; Daniel E. Resasco
Source:
Journal of catalysis 2011 v.281 no.1 pp. 21-29
ISSN:
0021-9517
Subject:
atmospheric pressure; benzene; biomass; carbon; catalysts; cresols; cyclohexanes; hydrogen; hydrogenation; lignin; phenol; toluene; xylene
Abstract:
... The catalytic conversion of anisole (methoxybenzene), a phenolic model compound representing a thermal conversion product of biomass lignin, to gasoline-range molecules has been investigated over a bifunctional Pt/HBeta catalyst at 400°C and atmospheric pressure. The product distribution obtained on the bifunctional catalyst was compared with those obtained on monofunctional catalysts (HBeta and P ...
DOI:
10.1016/j.jcat.2011.03.030

20. Bimetallic Co–Pd catalysts: Study of preparation methods and their influence on the selective hydrogenation of acetylene

Author:
W.G. Menezes; L. Altmann; V. Zielasek; K. Thiel; M. Bäumer
Source:
Journal of catalysis 2013 v.300 no. pp. 125-135
ISSN:
0021-9517
Subject:
X-radiation; acetylene; atomic absorption spectrometry; carbon; catalysts; chemical composition; cobalt; energy; energy-dispersive X-ray analysis; hydrogen; hydrogenation; magnesium oxide; nanoparticles; polymers; polyols; pyrolysis; transmission electron microscopy
Abstract:
... Aiming at the preparation of catalysts with well-controlled structure and composition, bimetallic CoPd nanoparticles (NPs) were prepared in two different ways using polyol methods. In the first case, support materials, such as active carbon, MgO and γ-Al₂O₃, were present during synthesis, resulting in the formation of the particles directly on the surface of the supports. In the second case, funct ...
DOI:
10.1016/j.jcat.2012.12.023