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Engineering galactose oxidase for efficient cascade synthesis of L-guluronic acid from D-glucose

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY00697F, Paper
Qingxiu Wang, Weisong Liu, Lijing Chang, Kuncheng Zhang, Yanbing Shen, Lingling Zhang
A synthetic pathway of L-guluronic acid and rational design of galactose oxidase.
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Effect of metal loading sequences in CO2 methanation activity on samarium-doped ceria supported bimetallic catalysts

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01007H, Paper
Andrew C. Chien, Corinna C. Chi
The La/Ni/SDC catalyst from one pot microwave-heating gives higher methanation activity than La–Ni/SDC and Ni–La/SDC from stepwise heating.
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The effect of separation distance on hydrogen spillover in Os promoted Co@HCS catalysts

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY00758A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Tshepo Molefe, Roy Peter Forbes, Neil John Coville
Decreasing the carbon shell thickness increased the reducibility of Co3O4. The reducibility of Co3O4 was further achieved by adding an Os promoter outside of the sphere showing that H spillover was favoured over H2 diffusion/Co reduction by carbon.
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Identification of Ni3Fe alloy as a candidate catalyst for quinoline selective hydrogenation with computations

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01076K, Paper
Zhaochun He, Yonghua Liu, Tao Wang
We computationally identified Ni3Fe as a promising catalyst for the quinoline (QL) selective hydrogenation to 1,2,3,4-tetrahydroquinoline (py-THQL) using density functional theory calculations and microkinetic modeling.
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Bis-thiourea and macrocyclic polyamines as binary organocatalysts for the ROP of lactide

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY00952E, Paper
Open Access
Assunta D'Amato, Maria Voccia, Filippo Bruno, Sara D'Aniello, Lucia Caporaso, Francesco De Riccardis, Irene Izzo, Giorgio Della Sala, Mina Mazzeo
New binary catalysts formed by a bis-thiourea and a series of flexible polyaza-macrocycles are revealed to be efficient catalysts for the ring opening polymerization (ROP) of L-lactide.
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Catalytic activity and stability of NiPt/C catalysts for the synthesis of iso-butanol from methanol/ethanol mixtures

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01061B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Joachim Pasel, Johannes Häusler, Ralf Peters, Detlef Stolten
The uniqueness and innovation of the Ni99Pt1/C catalyst lies in the fact that a promising activity for iso-butanol synthesis was already observed at a low temperature of 165 °C in methanolic solution and at a very low precious metal mass fraction.
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Combining computational and experimental studies to gain mechanistic insights for n-butane isomerisation with a model microporous catalyst

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01035C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Matthew E. Potter, Lucas Spiske, Philipp N. Plessow, Evangeline B. McShane, Marina Carravetta, Alice E. Oakley, Takudzwa Bere, James H. Carter, Bart D. Vandegehuchte, Kamila M. Kaźmierczak, Felix Studt, Robert Raja
Using a model microporous catalyst, the influence of acid site density and partial pressure is explored in alkane isomerisation. Combining with DFT calculations shows the role of olefins in this industrially important catalytic process.
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All-in-one Rh(III)-covalent organic framework for sustainable and regioselective C(sp2)–H bond functionalization

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01098A, Paper
Luohe Wang, Junnan E, Xiubin Bu, Jing Zeng, Xiaobo Yang, Hua Fu, Zhen Zhao
RhCOF-SYNU-1 serves as a transition-metal catalyst, photocatalyst, and metal ligand, enabling regioselective C(sp2)–H bond functionalization and offering a sustainable approach for Rh(III) catalysis.
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One-pot synthesis of 1,4-butanediol via the deep hydrogenation of maleic anhydride over Cu–xMo/SiO2 catalysts

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01006J, Paper
Kai Cui, Jiaming Yang, Yuli Jing, Junwen Chen, Chen Zhao, Peng Wu, Xiaohong Li
A Cu–0.03Mo/SiO2 catalyst realized the one-pot deep hydrogenation of maleic anhydride to 1,4-butanediol at 200 °C, under 5 MPa of hydrogen pressure with 100% conversion and 88.3% selectivity, one of the highest values for this target reaction.
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Synthesis of Co3O4 catalysts with different morphologies and their excellent catalytic performance for soot combustion

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01115E, Paper
Xinyu Zhang, Chunlei Zhang, Siyu Gao, Xinyu Chen, Siyuan Chen, Shengran Zhou, Di Yu, Lanyi Wang, Xiaoqiang Fan, Xuehua Yu, Zhen Zhao
A series of Co3O4 catalysts with different morphologies were prepared by a hydrothermal method. Among them, the sea urchin shaped Co3O4 catalyst exhibits the best catalytic performance for soot combustion.
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Effects of zeolite porosity and acidity on catalytic conversion of carbohydrates to bio-based chemicals: a review

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01070A, Review Article
Deyu Chu, Jinjing Ma, Qishun Liu, Jie Fu, Heng Yin
Optimizing the production process of high value-added chemicals derived from renewable biomass holds immense promise for clean energy utilization and environmental sustainability.
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Insight into the influence of Re and Cl on Ag catalysts in ethylene epoxidation

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY00858H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Claudia J. Keijzer, Pim T. Weide, Kristiaan H. Helfferich, Justyna Zieciak, Marco de Ridder, Remco Dalebout, Tracy L. Lohr, John R. Lockemeyer, Peter van den Brink, Petra E. de Jongh
Crystalline AgReO4 was formed in Re-promoted Ag catalysts. The effect of Re on catalysis and EO isomerization was tested without and with the industrially relevant ethyl chloride. EO isomerization was greatly affected by both Re and Cl.
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Investigation on heterogeneous Rh Catalysts for the Hydroformylation of 1,3-Butadiene to adipic aldehyde

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY00745J, Paper
Lijin Gan, Zekun Liu, Lei Feng, Yi Duan, Guangyuan Xu, Si Chen, Huan Yan
Adipic aldehyde, as a precursor for polymers, has significant industrial applications, where the hydroformylation of 1,3-butadiene is a promising routine to fabricate adipic aldehyde. However, the heterogeneous hydroformylation of 1,3-butadiene...
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The O2-stable [FeFe]-hydrogenase CbA5H reveals high resilience against organic solvents

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01018C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Martin Gerbaulet, Anja Hemschemeier, Thomas Happe
CbA5H from Clostridium beijerinckii is an oxygen-stable [FeFe]-hydrogenase. Here we report that CbA5H is stable in high concentrations of acetone and acetonitrile and also withstands intermediate concentrations of DMSO, ethanol and methanol.
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Green Photocatalytic N-Debenzylations with Molecular Oxygen Catalyzed by Recyclable Metal-free Tubular Carbon Nitride

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY00981A, Paper
Yufeng Wu, Jiajie Kang, Li Jianing, Mingshu Bi, Qingwei Meng
Debenzylations are widely used in fields such as pharmaceuticals and fine chemicals. In this study, metal-free tubular carbon nitride (CN-T) was prepared and used to the photocatalytic debenzylations with molecular...
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Ag/Cu foam catalyst for selective reduction of CO2 to CH3OH at low potential

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY01056F, Paper
Ruitao Nie, Xiaolong Deng, Haoyu Yang, Hongwei Chen, Jie Yang, Meiyi Lu, Keqi Peng, Xiaoyu Zhou, Yang Chen, Juan Xie, Hu Wang
Electrocatalytic selective reduction of CO2 to liquid phase products, particularly methanol, is a promising technique for CO2 utilization. However, the challenge is daunting because the reduction of carbon dioxide to...
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Bioinspired copper-catalysed nitrous oxide reduction with simultaneous N–H or O–H bond oxidation

Catal. Sci. Technol., 2024, 14,6503-6512
DOI: 10.1039/D4CY00760C, Paper
Bruce A. Lobo Sacchelli, Suellen M. P. Onguene, Ruben S. M. Almeida, Alexandra M. M. Antunes, Dmytro S. Nesterov, Leandro H. Andrade, Elisabete C. B. A. Alegria, Martin H. G. Prechtl
Tuning selectivities with oxidants: O2 oxidises methanol to the carboxylate level and N2O oxidises it to the formaldehyde level.
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Innovations in nanocomposite photocatalysts for CO2 to CH3OH conversion

Catal. Sci. Technol., 2024, 14,6443-6465
DOI: 10.1039/D4CY00822G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Shuang Deng, Nannan Wang, Yanqiu Zhu, Kunyapat Thummavichai
Nowadays, the excessive use of fossil fuels has led to a global energy shortage and exacerbated the greenhouse effect.
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1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment

Catal. Sci. Technol., 2024, 14,6573-6583
DOI: 10.1039/D4CY00969J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Andrea García-Hernán, Fernando Aguilar-Galindo, Oscar Castillo, Pilar Amo-Ochoa
The study utilizes density functional theory to enhance the design and efficiency of coordination polymers for sustainable photocatalytic applications.
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Switching of selectivity from benzaldehyde to benzoic acid using MIL-100(V) as a heterogeneous catalyst in aerobic oxidation of benzyl alcohol

Catal. Sci. Technol., 2024, 14,6524-6536
DOI: 10.1039/D4CY00832D, Paper
Open Access
Duygu Hacıefendioğlu, Ali Tuncel
MIL-100(V) used as a heterogeneous catalyst for tunable selective oxidation of benzyl alcohol to benzaldehyde or benzoic acid by changing only the reaction temperature.
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Copper cluster complex-catalyzed C–S bond formation

Catal. Sci. Technol., 2024, 14,6609-6620
DOI: 10.1039/D4CY00968A, Paper
Nien-Chi Chang Liao, R. Sidick Basha, Bo-Hao Shih, Chia-Chun Liu, Miao-Han Wang, Po-Heng Lin, Chin-Fa Lee
Three distinct copper cluster complexes (A–C) were synthesized and their bonding was investigated by XRD studies. These complexes effectively catalyze the C–S coupling reaction of less reactive aliphatic thiols to synthesize thioether derivatives.
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Synergistic promotion of oxygen vacancy and Lewis acidity of Nb2O5 on the preferential hydroxymethyl hydrogenolysis of 5-hydroxymethylfurfural catalyzed by single atom Pt

Catal. Sci. Technol., 2024, 14,6550-6560
DOI: 10.1039/D4CY00559G, Paper
Ting-Hao Liu, Shuai Fu, Jin-Tao Gou, Yin-Sheng Zhang, Chang-Wei Hu, Hua-Qing Yang
Over Pt1/Nb2O5, oxygen vacancy increases the catalytic activity, while the strong Lewis acidity of Nb2O5 selectively promotes the hydrogenolysis of the –CH2OH group rather than the hydrogenation of the –CHO group.
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In situ preparation and performance of iron-based electro-magnetic synergistic electrochemical nitrogen fixation catalysts

Catal. Sci. Technol., 2024, 14,6592-6599
DOI: 10.1039/D4CY01008F, Paper
Kaidi Chen, Run Deng, Chen Zhao, Qikun Zhang
An iron-based catalyst was prepared in situ in FeSO4 solution by electrochemical technology to catalyze the reduction of N2 to NH3. It was found that the applied magnetic field can significantly increase the current density.
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Unsupervised pattern recognition on the surface of simulated metal nanoparticles for catalytic applications

Catal. Sci. Technol., 2024, 14,6651-6661
DOI: 10.1039/D4CY01000K, Paper
Jonathan Y. C. Ting, George Opletal, Amanda S. Barnard
The structural patterns and catalytic activities of the surface atoms of simulated metal nanoparticles are characterised by an automatable data-driven unsupervised machine learning approach.
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Heteroatom-doped carbon nanomaterials as potential heterogeneous Fenton reaction catalysts

Catal. Sci. Technol., 2024, 14,6662-6669
DOI: 10.1039/D4CY00248B, Paper
Haobin Tan, Xiuli Hou, Chen Zhou, Shengbo Wang, Qiang Liu, Zhenhui Xu, Peng Zhang
A volcano relationship between the catalytic activity and the adsorption energies of reaction intermediates was found for the H2O2 dissociation on heteroatom-doped carbon nanomaterials.
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Flow chemistry enhances catalytic alcohol-to-alkene dehydration

Catal. Sci. Technol., 2024, 14,6641-6650
DOI: 10.1039/D4CY00913D, Paper
Open Access
D. J. Ward, D. J. Saccomando, F. Vilela, G. Walker, S. M. Mansell
Flow chemistry helped optimise the conversion of a branched primary alcohol to an alkene. Mass balance was achieved through the elimination of by-products, including alkene oligomers, and the setup could be optimised to give up to 98% alkene product.
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Heteroatom-assisted oxygen vacancies in cerium oxide catalysts for efficient synthesis of dimethyl carbonate from CO2 and methanol

Catal. Sci. Technol., 2024, 14,6513-6523
DOI: 10.1039/D4CY00702F, Paper
Niladri Maity, Samiyah A. Al-Jendan, Samir Barman, Nagendra Kulal, E. A. Jaseer
Heteroatom (N, S) assisted CeO2 nanorod materials exhibited enhanced catalytic efficiency in the synthesis of dimethyl carbonate from CO2 and methanol, attributed to their superior surface acidity, basicity, Ce3+ concentration, and oxygen vacancies.
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Recyclable copper(I)-catalyzed cascade C–S and C–N bond formation between 2-iodoanilines and 2-bromobenzenethiols towards functionalized phenothiazines

Catal. Sci. Technol., 2024, 14,6561-6572
DOI: 10.1039/D4CY00888J, Paper
Yan Wang, Chengkai Luo, Li Wei, Mingzhong Cai
Heterogeneous copper-catalyzed heterocyclization between 2-iodoanilines and 2-bromothiophenols has been developed for the assembly of substituted phenothiazines.
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Highly effective solar CO2 fixation via photocatalytic carboxylation of aromatic amines with carbon dioxide over a covalent organic framework (COF) as a photocatalyst

Catal. Sci. Technol., 2024, 14,6670-6677
DOI: 10.1039/D4CY00949E, Paper
Chandani Singh, Jae Young Kim, No-Joong Park, Rajesh Kumar Yadav, Jin-Ook Baeg
Facile synthesis of the Tp-DAMS COF as a photocatalyst for efficient solar carboxylation of aromatic amines with CO2. The CO2 conversion efficiency into carboxylic acid is 99.9% without the necessity of using stoichiometric metallic reductants.
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Broadening the substrate range of serine palmitoyltransferase by protein engineering and applications to 3-keto-dihydrosphingosine analogs

Catal. Sci. Technol., 2024, 14,6600-6608
DOI: 10.1039/D4CY01019A, Paper
Hyunjun Choe, Minsun Cha, Ahram Kim, Jon D. Stewart
Introducing an additional mutation at position 73 dramatically increases the substrate range, allowing access to a wide variety of sphingolipid analogs.
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Boron–pyridine nitrogen cooperative catalytic conversion of carbon dioxide and epoxides to cyclic carbonates

Catal. Sci. Technol., 2024, 14,6692-6700
DOI: 10.1039/D4CY01052C, Paper
Yu-Hui Luo, Sheng Tao, Fei Chen, Zhi-Hong Du, Hao Zhang, Min Li, Ning Liu
A type of N-heterocyclic carbene (NHC)-diboron adduct in combination with tetrabutylammonium iodide (TBAI) was used as a catalyst for the synthesis of cyclic carbonates from CO2 with epoxides.
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Photocatalytic H2O2 production with perylene(bis-imide)-doped periodic mesoporous silica using micropollutants as sacrificial donors

Catal. Sci. Technol., 2024, 14,6710-6719
DOI: 10.1039/D4CY00739E, Paper
Charlotte David, Stephane Grolleau, Denys Grekov, Aydar Rakhmatullin, Errol Blart, Valerie Hequet, Yann Pellegrin
A perylene-doped mesoporous silica material is used as a photocatalyst to produce H2O2 from aerated polluted water samples under light soaking.
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Dual defect sites at g-C3N4 synergistically induce the electron localization effect for boosting photocatalytic H2O2 production

Catal. Sci. Technol., 2024, 14,6701-6709
DOI: 10.1039/D4CY01101E, Paper
Jingjing Jiang, Yuyao Chen, Shijian Zhou, Haoran Xie, Changlai Li, Zheng Wei, Yan Kong
Defect engineering (such as doping of non-metallic elements or vacancies) is a universally effective modification to improve the electronic structure and physical properties of g-C3N4, which has been widely applied in various photocatalytic systems.
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Study on the effect and mechanism of Ag and Bi2MoO6 modification on the CO2 photo-thermal reduction performance of g-C3N4 catalysts with localized surface plasmon resonance

Catal. Sci. Technol., 2024, 14,6621-6640
DOI: 10.1039/D4CY00930D, Paper
Bin Guan, Junyan Chen, Zhongqi Zhuang, Zhan Gao, Zeren Ma, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Kaiyou Shu, Hongtao Dang, Tiankui Zhu, Zhen Huang
As a promising future energy material, g-C3N4 as a CO2 photo-thermal-reduction catalyst can effectively convert CO2 to renewable fuel, but the low yield and low product selectivity significantly limit its further development and application.
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Enhancing coking resistance of nickel-based catalysts for dry reforming of methane via nitric oxide abatement: a support study

Catal. Sci. Technol., 2024, 14,6678-6691
DOI: 10.1039/D4CY00936C, Paper
Open Access
Beatrice Senoner, Andrea Osti, Antonella Glisenti
How to enhance DRM and NO carbon-assisted coupling using a support?
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Enhancing light-driven photocatalytic reactions through solid solutions of bismuth oxyhalide/bismuth rich photocatalysts: a systematic review

Catal. Sci. Technol., 2024, 14,6466-6495
DOI: 10.1039/D4CY00820K, Review Article
Open Access
Robert O. Gembo, Rudzani Ratshiedana, Lawrence M. Madikizela, Ilunga Kamika, Cecil K. King'ondu, Alex T. Kuvarega, Titus A. M. Msagati
The pursuit of sustainable environmental remediation strategies has led to intensive research in photocatalysis.
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Correction: 1D Zn(II)/2D Cu(I) halogen pyridyl coordination polymers. Band gap engineering by DFT for predicting more efficient photocatalysts in water treatment

Catal. Sci. Technol., 2024, 14,6720-6720
DOI: 10.1039/D4CY90084G, Correction
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Andrea García-Hernán, Fernando Aguilar-Galindo, Oscar Castillo, Pilar Amo-Ochoa
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Elucidation of Ce/Zr ratio effects on the physical properties and catalytic performance of CuOx/CeyZr1−yO2 catalysts

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01012D, Paper
Mohammed Sifat, Michal Luchowski, Amol Pophali, Wenhui Jiang, Yunfan Lu, Byeongseok Kim, Gihan Kwon, Kwangsuk Yoon, Jihun Kim, Kwangjin An, Sang Eun Shim, Hocheol Song, Taejin Kim
Although cerium oxide (CeO2) is widely used as a catalyst support, its limited defect sites and surface oxygen vacancy/mobility should be improved.
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Phenol Hydroxyl-Modified Imine-Based Covalent organic framework for enhanced solar-driven generation of H2O2 via Hydrogen Bonds

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY01096E, Paper
Lang Chen, Song Qin, Jiahui Hang, Bo Chen, Jinyang Kang, yang zhao, Shan-Yong Chen, Yongdong Jin, Hongjian Yan, Yuanhua Wang, Xia Chuanqin
Photosynthesis of H2O2 have been considered an eco-friendly strategy. However, the concentration of H2O2 in reported studies is far from industrial requirement. Herein, we present a strategy by employing phenolic...
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Bifunctional catalysts based on PdZn/ZnO and hierarchical zeolites in the direct synthesis of dimethyl ether from CO-rich syngas: influence of the support and the Zn/Pd molar ratio

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY00860J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Bing Wang, Nicola Da Roit, Michael Zimmermann, Markus Boese, Thomas Zevaco, Silke Behrens
Pd/Zn-nanoparticles were used as precursors to study the influence of the molar Zn/Pd ratio and hierarchical HZSM-5 zeolites in the syngas-to-dimethyl ether process.
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Deciphering the role of chemisorbed CO in CO2 methanation: kinetic and mechanistic investigation over monometallic (Ru) and bimetallic (Ru–Ni) catalysts

Catal. Sci. Technol., 2024, Advance Article
DOI: 10.1039/D4CY01004C, Paper
Pavan Dongapure, Jyoti Tekawadia, V. Satyam Naidu, R. Nandini Devi
Supported metal catalysts have made prominent contributions to CO2 mitigation through conversion into useful chemicals.
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Anthracene-based covalent organic framework supported palladium nanoparticles for visible-light-mediated Suzuki-Miyaura cross-coupling

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY01083C, Paper
Lei Li, Qiujie Shan, Jiyuan Zang, Lei Yu, David James Young, Zhi-Gang Ren, Hong-Xi Li
An anthracene-based covalent organic framework (COF) anchoring Pd(0) nanoparticles (Pd/AntCOF) photocatalyzed Suzuki-Miyaura cross-coupling of arylbromides and arylboronic acids in water under blue LED irradiation at ambient temperature. The AntCOF both...
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IBzH (IBenzhydryl): Sterically-Flexible N-Aliphatic N-Heterocyclic Carbenes (NHC) for Iron-Catalyzed C(sp3)–C(sp2) Cross-Coupling of Unactivated Haloalkanes

Catal. Sci. Technol., 2024, Accepted Manuscript
DOI: 10.1039/D4CY01315H, Communication
Marlena Kardela, Błażej Dziuk, Roman Szostak, Michal Szostak, Elwira Bisz
Iron-catalyzed cross-coupling has emerged as a pivotal concept for the synthesis of valuable products across various facets of chemical research, including pharmaceuticals, organic materials and biological probes. In this respect,...
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Material design of biodegradable primary batteries: boosting operating voltage by substituting the hydrogen evolution reaction at the cathode

Nanoscale, 2024, 16,20027-20036
DOI: 10.1039/D4NR03321C, Minireview
Shunsuke Yamada, Takashi Honda
This review highlights recent progress in increasing the operating voltage of biodegradable primary batteries by suppressing or substituting the hydrogen evolution reaction at the cathode with alternative redox reaction.
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Two-dimensional silicene-based technologies in oncology: an emerging avenue

Nanoscale, 2024, 16,20048-20059
DOI: 10.1039/D4NR03565H, Minireview
Joydip Sengupta, Chaudhery Mustansar Hussain
Silicene-based technologies can be applied in photonic hyperthermia and drug delivery for oncology treatment.
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Effect of graphene electrode functionalization on machine learning-aided single nucleotide classification

Nanoscale, 2024, 16,20202-20215
DOI: 10.1039/D4NR02274B, Paper
Mohd Rashid, Milan Kumar Jena, Sneha Mittal, Biswarup Pathak
In this study, we explored the role of functionalized entities (C, H, N, and OH) in graphene electrodes using a machine learning (ML) framework integrated with the quantum transport method to achieve precise single DNA nucleotide identification.
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BP/GaN and BP/GaP core/shell nanowires: theoretical insights into photovoltaic and gas-sensing abilities

Nanoscale, 2024, 16,20235-20251
DOI: 10.1039/D4NR02602K, Paper
Rishit S. Shukla, Vidit B. Zala, Sanjeev K. Gupta, P. N. Gajjar
BP/GaN and BP/GaP core/shell nanowires (CSNWs) show good sensitivity for some small oxide gases. Also, BP/GaP CSNWs show >33% photovoltaic conversion efficiency.
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Electrostatic interactions and structural transformations in viral shells

Nanoscale, 2024, 16,20182-20193
DOI: 10.1039/D4NR02612H, Paper
Open Access
Ivan Yu. Golushko, Daria S. Roshal, Olga V. Konevtsova, Sergei B. Rochal, Rudolf Podgornik
Considering the simplest energy of electrostatic interactions between proteins together with the mechanical energy of the continuum shell, one can model various structural transformations possible in viral capsids.
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Morphology–electronic effects in ultra-model nanocatalysts under the CO oxidation reaction: the case of ZnO ultrathin films grown on Pt(111)

Nanoscale, 2024, 16,20216-20227
DOI: 10.1039/D4NR02935F, Paper
Hang Liu, Lei Zhang, Sébastien Lebègue, Fabrice Bournel, Jean-Jacques Gallet, Ahmed Naitabdi
Thickness-dependent morphology and electronic properties of ZnO ultrathin films grown on Pt(111) under the CO oxidation reaction at 1 mbar.
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Size effect on the structural and magnetic phase transformations of iron nanoparticles

Nanoscale, 2024, 16,20304-20311
DOI: 10.1039/D4NR02488E, Paper
Alexis Front, Georg Daniel Förster, Chu Chun Fu, Cyrille Barreteau, Hakim Amara
(a) Magnetic (top) and structural (bottom) phase transformation of an iron nanoparticle. (b) Size dependence on magnetic and structural transition temperatures on iron nanoparticles.
The content of this RSS Feed (c) The Royal Society of Chemistry