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1. Beyond γ-Al2O3 crystallite surfaces: The hidden features of edges revealed by solid-state 1H NMR and DFT calculations

Author:
Batista, Ana T.F.; Wisser, Dorothea; Pigeon, Thomas; Gajan, David; Diehl, Fabrice; Rivallan, Mickael; Catita, Leonor; Gay, Anne-Sophie; Lesage, Anne; Chizallet, Céline; Raybaud, Pascal
Source:
Journal of catalysis 2019 v.378 pp. 140-143
ISSN:
0021-9517
Subject:
aluminum oxide; chlorine; crystallites; density functional theory; hydrogen bonding; hydroxylation; models; nuclear magnetic resonance spectroscopy; spectral analysis; surface area
Abstract:
... Elucidating the nature of high surface area gamma alumina sites is of great interest for numerous catalytic applications. In this work, the structural and spectroscopic features of edge sites are unravelled thanks to density functional theory (DFT) calculations combined with high field 1H MAS NMR of two high surface area alumina samples exhibiting distinct morphologies. DFT chemical shift calculat ...
DOI:
10.1016/j.jcat.2019.08.009

2. Design and synthesis of spherical-platelike ternary copper-cobalt-manganese catalysts for direct conversion of syngas to ethanol and higher alcohols

Author:
Sun, Kai; Tan, Minghui; Bai, Yunxing; Gao, Xiaofeng; Wang, Peng; Gong, Nana; Zhang, Tao; Yang, Guohui; Tan, Yisheng
Source:
Journal of catalysis 2019 v.378 pp. 1-16
ISSN:
0021-9517
Subject:
X-ray diffraction; X-ray photoelectron spectroscopy; active sites; adsorption; carbon monoxide; catalysts; catalytic activity; cobalt; copper; coprecipitation; ethanol; geometry; hydrogenation; manganese; nanosheets; probability; synergism; synthesis gas
Abstract:
... Novel CuCoMn ternary catalyst with a “spherical-platelike” (CuMn-Co) nanosized particles structure was designed and successfully performed in ethanol and higher alcohols (HA) production via heterogeneous CO hydrogenation. The “spherical-platelike” CuCoMn catalyst, achieved through a simple co-precipitation (CP) route followed by a calcination-reduction process, contained a CuMn-rich sphere structu ...
DOI:
10.1016/j.jcat.2019.08.013

3. Dual activity of durable chiral hydroxyl-rich MOF for asymmetric catalytic reactions

Author:
Berijani, Kayhaneh; Morsali, Ali
Source:
Journal of catalysis 2019 v.378 pp. 28-35
ISSN:
0021-9517
Subject:
Bronsted acids; Lewis acids; X-ray diffraction; active sites; anions; catalysts; catalytic activity; coordination polymers; enantiomers; enantioselectivity; energy-dispersive X-ray analysis; fluorides; hydrogen bonding; moieties; nuclear magnetic resonance spectroscopy; scanning electron microscopy
Abstract:
... The quest to prepare of asymmetric heterogeneous catalysts with both effective Brønsted acid sites (BASs) and Lewis acid sites is very significant challenge. Herein, we report the construction of a chiral metal-organic framework with two kinds of catalytic active sites (Lewis acid/Brønsted acid). It contains coordinative unsaturation metal centers and chiral functional groups that have cooperation ...
DOI:
10.1016/j.jcat.2019.08.015

4. Primary, secondary, and tertiary silanamine sites formed on nitrided SBA-15 for base catalytic C[sbnd]C bond formation reactions

Author:
Moteki, Takahiko; Koga, Yuuki; Ogura, Masaru
Source:
Journal of catalysis 2019 v.378 pp. 131-139
ISSN:
0021-9517
Subject:
aldehydes; catalysts; catalytic activity; chemical bonding; condensation reactions; imines; nitrogen; porous media; quantitative analysis; silica; temperature
Abstract:
... The relationship between catalyst preparation conditions and resulting their catalytic properties on silica substituted nitrogen site, silanamine site, has been discussed for a long time. In this study, the contribution of each silanamine site for several CC bond formation reactions was deconvoluted via mathematical approach. A series of nitrided mesoporous silica samples was prepared at different ...
DOI:
10.1016/j.jcat.2019.08.011

5. Probing the methanol heterogeneous photochemistry processes by operando NMR – The role of bulk water

Author:
Ye, Man; Xu, Bei-Bei; Zhang, Ran; Yang, Yi-Ning; Yang, Ling-Yun; Wang, Xue Lu; Yao, Ye-Feng
Source:
Journal of catalysis 2019 v.378 pp. 36-41
ISSN:
0021-9517
Subject:
catalytic activity; density functional theory; fuel cells; liquids; methanol; nuclear magnetic resonance spectroscopy; photochemistry; pollution control; reaction mechanisms; working conditions
Abstract:
... Solid-liquid heterogeneous catalysis reactions play key roles in industrial catalytic reactions, throughout pollution control, fuel cell, methanol reforming and so on. But, few operando techniques have been performed to track the complex reaction processes, especially those in bulk liquid environment containing two or more liquid reactants, thus leaving a gap in our understanding of the reaction m ...
DOI:
10.1016/j.jcat.2019.08.016

6. Solar-driven conversion of arylboronic acids to phenols using metal-free heterogeneous photocatalysts

Author:
Xu, Tiefeng; Lu, Wangyang; Wu, Xiao-Feng; Chen, Wenxing
Source:
Journal of catalysis 2019 v.378 pp. 63-67
ISSN:
0021-9517
Subject:
acids; boronic acids; carbon nitride; catalytic activity; fabrics; graphene; melting point; phenols; photocatalysts; photosynthesis; polyesters; recycling; superoxide anion; weaving
Abstract:
... Solar-driven conversion of arylboronic acids to phenols was achieved by employing graphitic carbon nitride (g-C3N4) as heterogeneous photocatalyst, where O2− was the main active species. By loading g-C3N4 onto the easy weaving low melting point sheath-core composite polyester fibers (LMPET), g-C3N4-based artificial photosynthetic catalytic fabric (g-C3N4/LMPET) with a large light receiving area wa ...
DOI:
10.1016/j.jcat.2019.07.062

7. The study of structure-performance relationship of iron catalyst during a full life cycle for CO2 hydrogenation

Author:
Zhang, Yulong; Cao, Chenxi; Zhang, Chao; Zhang, Zhengpai; Liu, Xianglin; Yang, Zixu; Zhu, Minghui; Meng, Bo; Xu, Jing; Han, Yi-Fan
Source:
Journal of catalysis 2019 v.378 pp. 51-62
ISSN:
0021-9517
Subject:
active sites; alkenes; carbon dioxide; carbon monoxide; case studies; catalysts; ferric oxide; hydrogenation; iron; oxidation; phase transition
Abstract:
... The establishment of structure-performance relationship of catalysts during a full life cycle is highly desirable for catalyst design and understanding of nature of active sites. As a case study, lower olefins synthesis directly from CO2 hydrogenation (CTO) was performed over iron catalyst and the catalyst structure evolution during its life cycle has been comprehensively studied. Particularly, op ...
DOI:
10.1016/j.jcat.2019.08.001

8. A binary nickel diimine-MCM-41 supported catalyst and its application in ethylene polymerization

Author:
Favero, Cristiano; Closs, Maurício B.; Galland, Griselda B.; Stieler, Rafael; Rossetto, Enéderson; Bernardo-Gusmão, Katia
Source:
Journal of catalysis 2019 v.377 pp. 63-71
ISSN:
0021-9517
Subject:
catalysts; catalytic activity; ethylene; microstructure; nickel; polymerization; polymers; porous media; silica
Abstract:
... Nickel/α-diimine catalytic systems are known for their outstanding activity in α-olefin polymerization. Polymer microstructure control is a special feature of these catalysts. However, homogeneous nickel catalysts lack competitiveness against the conventional heterogeneous catalysts, which are suitable for current industrial processes. In this regard, attaching these catalysts to a convenient carr ...
DOI:
10.1016/j.jcat.2019.07.014

9. Adamantyl-BINOL as platform for chiral porous polymer aromatic frameworks. Multiple applications as recyclable catalysts

Author:
Monterde, Cristina; Navarro, Rodrigo; Iglesias, Marta; Sánchez, Félix
Source:
Journal of catalysis 2019 v.377 pp. 609-618
ISSN:
0021-9517
Subject:
aldehydes; boronic acids; catalytic activity; chemical bonding; diastereoselectivity; enantioselectivity; hydrogenation; ligands; organocatalysts; phosphates; phosphoric acid; polymers; rhodium; styrene
Abstract:
... Herein, we report the synthesis of adamantyl-BINOL-based chiral porous aromatic polymers (Ad-BINOL-PAFs) for heterogeneous catalysis. Ad-BINOL-OH-PAF (365 m2·g−1 SABET) was built through the covalent bonds among of 4,4′-dibromo-O-ethyl-protected adamantyl-BINOL with 1,3,5-Triphenylbenzene-4′,4″,4′″-triboronic acid and in the presence of [Ti(OiPr)4] results an effective recyclable catalyst in the a ...
DOI:
10.1016/j.jcat.2019.07.059

10. Alkali-metal-oxides coated ultrasmall Pt sub-nanoparticles loading on intercalated carbon nitride: Enhanced charge interlayer transportation and suppressed backwark reaction for overall water splitting

Author:
Zeng, Zhenxing; Quan, Xie; Yu, Hongtao; Chen, Shuo; Choi, Wonyong; Kim, Bupmo; Zhang, Shushen
Source:
Journal of catalysis 2019 v.377 pp. 72-80
ISSN:
0021-9517
Subject:
air; carbon nitride; fuels; hydrogen; hydrogen production; lithium; oxygen; photocatalysis; photocatalysts; polymers; potassium; sodium
Abstract:
... Photocatalytic overall water splitting by using layered polymeric materials has been considered a promising way for clean fuel H2 production, however the catalytic performance is still unsatisfactory due to the sluggish charge separation as well as serious backward reaction of water splitting. We herein demonstrate the clever design and construction of alkali-metal-oxides membrane coated ultrasmal ...
DOI:
10.1016/j.jcat.2019.07.018

11. A new pathway to pyrrolo[1,2-a]quinoxalines via solvent-free one-pot strategy utilizing FeMoSe nanosheets as efficient recyclable synergistic catalyst

Author:
To, Tuong A.; Nguyen, Chuc T.; Tran, My H.P.; Huynh, Thai Q.; Nguyen, Tung T.; Le, Nhan T.H.; Nguyen, Anh D.; Tran, Phong D.; Phan, Nam T.S.
Source:
Journal of catalysis 2019 v.377 pp. 163-173
ISSN:
0021-9517
Subject:
Bronsted acids; catalysts; catalytic activity; molybdenum; nanosheets; oxidants; quinoxalines; reducing agents; spectroscopy
Abstract:
... FeMoSe nanocatalyst was synthesized using solvothermal approach from readily available precursors, namely Mo(CO)6, FeSO4 and Se, and characterized by spectroscopic and microscopic analyses. The FeMoSe material offered high catalytic activity in the synthesis of pyrrolo[1,2-a]quinoxalines via solvent-free one-pot strategy starting from 2-nitroanilines. Compared to previous works, the significant ad ...
DOI:
10.1016/j.jcat.2019.07.008

12. A switchable-selectivity multiple-interface Ni-WC hybrid catalyst for efficient nitroarene reduction

Author:
Ma, Yuanyuan; Lang, Zhongling; Du, Jing; Yan, Likai; Wang, Yonghui; Tan, Huaqiao; Khan, Shifa Ullah; Liu, Yang; Kang, Zhenhui; Li, Yangguang
Source:
Journal of catalysis 2019 v.377 pp. 174-182
ISSN:
0021-9517
Subject:
aniline; carbon; catalysts; density functional theory; hydrogenation; nanomaterials; nickel; synergism
Abstract:
... Selective reduction of nitroarenes is extremely valuable in industrial chemical production. The main reduced products are usually aniline derivatives obtained using single-component noble- or transition-metal catalysts; however, other important products such as hydrazobenzene derivatives always involve in harsh conditions and multiple reaction steps. Here, we realize an unexpected switchable reduc ...
DOI:
10.1016/j.jcat.2019.06.023

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

Author:
Dao, Dung Van; Adilbish, Ganpurev; Le, Thanh Duc; Nguyen, Thuy T.D.; Lee, In-Hwan; Yu, Yeon-Tae
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

14. Brønsted–Evans–Polanyi relation for CO oxidation on metal oxides following the Mars–van Krevelen mechanism

Author:
Kropp, Thomas; Mavrikakis, Manos
Source:
Journal of catalysis 2019 v.377 pp. 577-581
ISSN:
0021-9517
Subject:
carbon monoxide; catalytic activity; data collection; density functional theory; models; oxidation; oxygen
Abstract:
... Scaling relations are widely used to model catalytic reactions on metal surfaces, but they are less commonly applied to metal oxides. Oxygen vacancy formation energies have been suggested as a descriptor for the activity toward oxidation reactions via the Mars-van Krevelen mechanism. However, there is currently no function that maps oxygen vacancy formation energies to CO oxidation barriers. We ha ...
DOI:
10.1016/j.jcat.2019.08.002

15. Catalysis of Au nano-pyramids formed across the surfaces of ordered Au nano-ring arrays

Author:
Cao, Xun; Li, Chaojiang; Lu, Yu; Zhang, Bowei; Wu, Yu; Liu, Qing; Wu, Junsheng; Teng, Jiao; Yan, Weiguo; Huang, Yizhong
Source:
Journal of catalysis 2019 v.377 pp. 389-399
ISSN:
0021-9517
Subject:
active sites; catalytic activity; electrochemistry; energy; ethanol; fuel cells; gold; nanogold; nanospheres; oxidation; oxygen; pH
Abstract:
... Gold (Au) is a noble metal that has been widely researched due to its high catalytic performance-to-cost ratio. The catalysis could be improved by fabrication of nanostructured arrays on Au thin film with a large area. In the present paper, a facile NSL-RIE approach comprising of nanosphere lithography followed by oxygen plasma reactive ion etching has been developed to fabricate ordered Au nano-r ...
DOI:
10.1016/j.jcat.2019.07.038

16. Catalytic consequences of the identity of surface reactive intermediates during direct hydrogen peroxide formation on Pd particles

Author:
Tu, Weifeng; Li, Xinli; Wang, Renquan; Malhi, Haripal Singh; Ran, Jingyu; Shi, Yanling; Han, Yi-Fan
Source:
Journal of catalysis 2019 v.377 pp. 494-506
ISSN:
0021-9517
Subject:
catalytic activity; chemical equilibrium; dissociation; equations; hydrogen; hydrogen peroxide; isotopes; oxygen; palladium; particle size
Abstract:
... H2O2 formation directly from H2 and O2 on Pd particles in water has proven to proceed via two different kinetic regimes defined by the operating H2/O2 ratios using kinetics, isotopic experiments and variation of particle sizes under conditions of kinetic control. These kinetic regimes exhibit different rate equations, kinetic isotope effects and structure sensitivity, while a transition among regi ...
DOI:
10.1016/j.jcat.2019.07.047

17. Cavity-controlled diffusion in 8-membered ring molecular sieve catalysts for shape selective strategy

Author:
Gao, Shushu; Liu, Zhiqiang; Xu, Shutao; Zheng, Anmin; Wu, Pengfei; Li, Bing; Yuan, Xiaoshuai; Wei, Yingxu; Liu, Zhongmin
Source:
Journal of catalysis 2019 v.377 pp. 51-62
ISSN:
0021-9517
Subject:
catalysts; catalytic activity; ethane; methane; molecular dynamics; nuclear magnetic resonance spectroscopy; porous media; propane; sieves
Abstract:
... Shape selectivity is the most important feature and advantage of molecular sieve catalysis. Diffusion of reactant and product molecules inside the confined environments with channels and cavities is the essential aspect of shape selective catalysis of molecular sieve catalysts. Elucidating the diffusion mechanism of molecules in the confined space of catalysts is of great importance for the effici ...
DOI:
10.1016/j.jcat.2019.07.010

18. CO2 hydrogenation to light olefins with high-performance Fe0.30Co0.15Zr0.45K0.10O1.63

Author:
Ding, Jie; Huang, Liang; Gong, Weibo; Fan, Maohong; Zhong, Qin; Russell, Armistead G.; Gu, Hao; Zhang, Haijun; Zhang, Yulong; Ye, Run-ping
Source:
Journal of catalysis 2019 v.377 pp. 224-232
ISSN:
0021-9517
Subject:
adsorption; carbon dioxide; carbon monoxide; catalysts; catalytic activity; ethylene; hydrogenation; moieties; olefin; oxygen; propylene
Abstract:
... The study was designed to investigate the catalytic hydrogenation of increasingly concerned CO2 to light olefins including ethylene, propylene and butylene, a series of critically important materials for various chemical syntheses, a win-win scenario for environment and economy. The Fe0.30Co0.15Zr0.30K0.10O1.63 catalyst, presented much poorer surface hydroxyl groups but richer oxygen vacancies (OV ...
DOI:
10.1016/j.jcat.2019.07.036

19. Competitive adsorption on single-atom catalysts: Mechanistic insights into the aerobic oxidation of alcohols over CoNC

Author:
Huang, Kuntao; Fu, Hongquan; Shi, Wen; Wang, Hongjuan; Cao, Yonghai; Yang, Guangxing; Peng, Feng; Wang, Qiang; Liu, Zhigang; Zhang, Bingsen; Yu, Hao
Source:
Journal of catalysis 2019 v.377 pp. 283-292
ISSN:
0021-9517
Subject:
adsorption; aqueous solutions; benzaldehyde; benzyl alcohol; catalysts; catalytic activity; electrochemistry; moieties; oxidation; oxygen; solvents
Abstract:
... MeNC catalysts have received intensive scientific interest as non-noble-metal single-atom catalysts (SAC) for electrochemical- and thermocatalytic reactions. However, the lack of understanding of its properties hinders further improvement of the catalytic performance. An interesting issue is the molecular details of the reaction involving more than one reactant, since the activation of the second ...
DOI:
10.1016/j.jcat.2019.06.047

20. Conjugated mesoporous polyazobenzene–Pd(II) composite: A potential catalyst for visible-light-induced Sonogashira coupling

Author:
Nath, Ipsita; Chakraborty, Jeet; Khan, Anish; Arshad, Muhammad N.; Azum, Naved; Rab, Malik A.; Asiri, Abdullah M.; Alamry, Khalid A.; Verpoort, Francis
Source:
Journal of catalysis 2019 v.377 pp. 183-189
ISSN:
0021-9517
Subject:
ambient temperature; catalysts; catalytic activity; energy transfer; light; nanoparticles; palladium; polymers; porous media; reaction mechanisms
Abstract:
... We herein report the direct harnessing of visible light energy by a novel semiconducting azobenzene-based colloidal porous organic polymer, B3-Azo4 amenable to post-synthetic Pd(II)-complexation for photo-induced Sonogashira coupling using polymer → metal energy transfer process. Completely mesoporous nano-sized particles of the obtained organic network manifested excellent Pd(II) coordinating abi ...
DOI:
10.1016/j.jcat.2019.07.031