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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Wangyuan Zhang; Qi Li; Yongfei Li; Sanbao Dong; +2 Authors

    At present, the research on aquathermolysis catalysts mainly focuses on the catalytic effect of external catalysts on the reaction, ignoring the fact that external catalysts will form complexes with in situ inorganic minerals after entering the reservoir. In this paper, we investigated the effects of transition metal complexes as external catalysts and bentonite as in situ catalysts on aquathermolysis, respectively. Meanwhile, the aquathermolysis reaction co-catalyzed by external and in situ catalysts was further investigated. The results show that the transition metal complexes exhibited good co-catalysis with bentonite. The viscosity reduction rate can reach 73.47% at 200 °C and 4 h with 0.1 wt.% of catalyst (NAD–Zn) addition. The addition of ethanol under the same reaction conditions will further increase the viscosity reduction rate to 84.59%. The results of thermogravimetric analysis, component analysis and boiling range analysis of heavy oil show that the heavy components in heavy oil are cracked into light components after the aquathermolysis. The results of elemental analysis show that the heteroatoms in the heavy oil were removed and the quality of the crude oil was improved. The results of GC–MS analysis of the model compounds showed that the process of aquathermolysis was mainly through the cleavage of C–C, C–N and C–S bonds to crack the macromolecules into small molecules, and then achieve the effect of viscosity reduction. The main mechanism of catalyst action is the acidic center on the surface of the bentonite and the coordination bonds formed by the transition metal complexes with the heteroatoms.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2022 . Peer-reviewed
    License: CC BY
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2022
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      Catalysts
      Article . 2022 . Peer-reviewed
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: orcid Liang Ma;
    Liang Ma
    ORCID
    Harvested from ORCID Public Data File

    Liang Ma in OpenAIRE
    Shuang Chen; orcid Yun Shao;
    Yun Shao
    ORCID
    Harvested from ORCID Public Data File

    Yun Shao in OpenAIRE
    orcid You-Long Chen;
    You-Long Chen
    ORCID
    Harvested from ORCID Public Data File

    You-Long Chen in OpenAIRE
    +4 Authors

    Hetero-nanomaterials constructed by plasmonic metals and functional semiconductors show enormous potential in photocatalytic applications, such as in hydrogen production, CO2 reduction, and treatment of pollutants. Their photocatalytic performances can be better regulated through adjusting structure, composition, and components’ arrangement. Therefore, the reasonable design and synthesis of metal/semiconductor hetero-nanostructures is of vital significance. In this mini-review, we laconically summarize the recent progress in efficiently establishing metal/semiconductor nanomaterials for improved photocatalysis. The defined photocatalysts mainly include traditional binary hybrids, ternary multi-metals/semiconductor, and metal/multi-semiconductors heterojunctions. The underlying physical mechanism for the enhanced photocatalysis of the established photocatalysts is highlighted. In the end, a brief summary and possible future perspectives for further development in this field are demonstrated.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2018 . Peer-reviewed
    License: CC BY
    Data sources: Crossref
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2018
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      Catalysts
      Article . 2018 . Peer-reviewed
      License: CC BY
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      Catalysts
      Article
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      Catalysts
      Article . 2018
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Chunli Gao; orcid Wenlei Xie;
    Wenlei Xie
    ORCID
    Harvested from ORCID Public Data File

    Wenlei Xie in OpenAIRE
    Hongyan Wang;

    This research aims at developing an efficient and reusable catalyst to improve biodiesel production processes. To achieve this, a vanadium-substituted polyoxometalate (POM) acid, namely H6PV3MoW8O40, was firstly prepared, and then the heterogenzation of the homogeneous Keggin-type heteropoly acids was performed by the partial proton substitution by monovalent large cesium cations with the formation of solid Cs2H4PV3MoW8O40 catalysts. Several techniques, such as X-ray diffractometer, Fourier transform infrared, coupled plasma–atomic emission spectrometry, Diffuse reflectance ultraviolet–visible spectrum, thermal gravimetric analysis and N2 adsorption–desorption techniques, were employed to characterize the as-prepared solid catalyst. The solid acid catalyst had the capacity to catalyze both the transesterification of soybean oil and esterification of free fatty acids (FFAs) simultaneously, providing an efficient production process for the production of biodiesel from low-quality oils. Under the operational conditions of a methanol/oil molar ratio of 30:1, a catalyst dosage of 5 wt.%, a reaction temperature of 140 °C, and a reaction duration of 8 h, an oil conversion of 92.2% was attained with the total FFA transformation to biodiesel. Furthermore, the catalyst could be reutilized for several cycles with no significant drop in its activity, thus having great potential for application with a bright perspective in the production of biodiesel, especially from low-quality oil feedstocks.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2020 . Peer-reviewed
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Catalysts
    Article . 2020
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      Catalysts
      Article . 2020 . Peer-reviewed
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      Catalysts
      Article . 2020
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: orcid Zeyu Xue;
    Zeyu Xue
    ORCID
    Harvested from ORCID Public Data File

    Zeyu Xue in OpenAIRE
    Zhaoping Zhong; Bo Zhang;

    To delve into the law of hydrocarbon production in microwave-assisted catalytic fast pyrolysis (MACFP) of corn straw, physical mixed Mesoporous Crystalline Material-41 (MCM-41) and Zeolite Socony Mobile-5 (ZSM-5) catalyst prototypes were exploited in this study. Besides, the effects exerted by temperature of reaction and MCM-41/ZSM-5 mass ratio were explored. As revealed from the results, carbon outputs of hydrocarbons rose initially as the temperature of MACFP rose and reached the maximal data at 550 °C; subsequently, it declined as reaction temperature rose. Moreover, the MCM-41/ZSM-5 mass ratio of 1:2 was second-to-none for hydrocarbon formation in the course of biomass MACFP. It was reported that adding MCM-41 can hinder coke formation on ZSM-5. Furthermore, MCM-41/ZSM-5 mixture exhibited more significant catalytic activity than ZSM-5/MCM-41 composite, demonstrating that hydrocarbon producing process can be stimulated by a simple physical MCM-41 and ZSM-5 catalysts mixture instead of synthesizing complex hierarchically-structured ZSM-5/MCM-41 composite.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
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    Catalysts
    Article . 2020 . Peer-reviewed
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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    Article . 2020
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      Article . 2020 . Peer-reviewed
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    Authors: orcid Jae-Soon Choi;
    Jae-Soon Choi
    ORCID
    Harvested from ORCID Public Data File

    Jae-Soon Choi in OpenAIRE
    Viviane Schwartz; orcid Eduardo Santillan-Jimenez;
    Eduardo Santillan-Jimenez
    ORCID
    Harvested from ORCID Public Data File

    Eduardo Santillan-Jimenez in OpenAIRE
    Mark Crocker; +4 Authors

    We investigated the structural evolution of molybdenum carbides subjected to hot aqueous environments and their catalytic performance in low-temperature hydroprocessing of acetic acid. While bulk structures of Mo carbides were maintained after aging in hot liquid water, a portion of carbidic Mo sites were converted to oxidic sites. Water aging also induced changes to the non-carbidic carbon deposited during carbide synthesis and increased surface roughness, which in turn affected carbide pore volume and surface area. The extent of these structural changes was sensitive to the initial carbide structure and was lower under actual hydroprocessing conditions indicating the possibility of further improving the hydrothermal stability of Mo carbides by optimizing catalyst structure and operating conditions. Mo carbides were active in acetic acid conversion in the presence of liquid water, their activity being comparable to that of Ru/C. The results suggest that effective and inexpensive bio-oil hydroprocessing catalysts could be designed based on Mo carbides, although a more detailed understanding of the structure-performance relationships is needed, especially in upgrading of more complex reaction mixtures or real bio-oils.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Catalystsarrow_drop_down
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    Catalysts
    Article . 2015 . Peer-reviewed
    License: CC BY
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    Article . 2015
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    Authors: orcid Wenpeng Yang;
    Wenpeng Yang
    ORCID
    Harvested from ORCID Public Data File

    Wenpeng Yang in OpenAIRE
    Lihua Qian; Rui Zheng; Dapeng Yang; +1 Authors

    The electrochemical reduction of CO2 to value-added chemicals renewable electricity is a promising and ecofriendly strategy to achieve the national strategic goal of “carbon peak and carbon neutrality” and solve the greenhouse effect. Due to the variety of products in CO2 electroreduction (CO2ER), catalytic selectivity has become a key factor in the design of electrode structure. Herein, a systematic investigation of CO2ER on the nanoporous gold films with different thicknesses prepared by the self-deposition method developed by ourselves. Mass transfer effects are found to play an important role in determining product selectivity and activity. The specific activity for CO evolution (jCO) with exponential declination has more dramatic tendency than the specific activity for hydrogen evolution (jH2) with linear decay with increasing nanoporous gold film thickness. Different from the behaviors within the mesoporous structures in previous studies, the retarded transport of HCO3− ions within the nanoscale pores is more sensitive than that of protons. This phenomenon implies the necessity of considering mass transfer effects in the design of outstanding electrocatalysts for CO2ER as well as for understanding the geometrical infrastructure-performance relationships.

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    Authors: orcid Camila P. Ferraz;
    Camila P. Ferraz
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    orcid Adriano H. Braga;
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    orcid Mohamed Nawfal Ghazzal;
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    Mohamed Nawfal Ghazzal in OpenAIRE
    orcid Michał Zieliński;
    Michał Zieliński
    ORCID
    Harvested from ORCID Public Data File

    Michał Zieliński in OpenAIRE
    +5 Authors

    Furfural (FF) is a strategic product for the development of highly valued chemicals from biomass. The oxidation product of FF, furoic acid (FA), is an important precursor for the synthesis of green esters, such as methyl furoate. Taking into account issues with the direct furfural oxidation, furfural derivatives, such as alkyl furoates, can be easily prepared via oxidative esterification. Here, Au nanoparticles that were immobilized on alkaline-earth metal oxide supports were studied for the oxidative esterification of furfural while using alcohol as both reactant and solvent. The formation of esters is favored by the presence of basic sites on catalyst surface, resulting in high selectivity, preventing the formation of the acetal as a by-product. The Au/MgO sample provided up to 95% methyl furoate (MF) yield, a fast reaction rate, and high performance for furfural:Au molar ratios between 50 and 300. Furthermore, this catalyst was stable during reuse, since both the selectivity and the activity were maintained after four cycles. Oxidative esterification products were achieved in the presence of other alcohols, leading to the formation of esters of up to C5 (isopentyl furoate) with high selectivity (>99%). Linear and branched esters were formed, but the long-chain linear alcohols resulted in higher yields, such as n-butyl furoate in 94% yield.

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    Authors: Tengfei Wang; Zekun Tao; Yi Jiang; Hongling Liu; +5 Authors

    Converting biomass into high value-added compounds has attracted great attention for solving fossil fuel consumption and global warming. 5-Hydroxymethylfurfural (HMF) has been considered as a versatile biomass-derived building block that can be used to synthesize a variety of sustainable fuels and chemicals. Among these derivatives, 2,5-furandicarboxylic acid (FDCA) is a desirable alternative to petroleum-derived terephthalic acid for the synthesis of biodegradable polyesters. Herein, to fully understand the current development of the catalytic conversion of biomass to FDCA, a comprehensive review of the catalytic conversion of cellulose biomass to HMF and the oxidation of HMF to FDCA is presented. Moreover, future research directions and general trends of using biomass for FDCA production are also proposed.

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    Authors: Yantao Wang; Deyang Zhao; orcid Daily Rodríguez-Padrón;
    Daily Rodríguez-Padrón
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    orcid Christophe Len;
    Christophe Len
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    Christophe Len in OpenAIRE

    Furfural has been considered as one of the most promising platform molecules directly derived from biomass. The hydrogenation of furfural is one of the most versatile reactions to upgrade furanic components to biofuels. For instance, it can lead to plenty of downstream products, such as (tetrahydro)furfuryl alcohol, 2-methyl(tetrahydro)furan, lactones, levulinates, cyclopentanone(l), or diols, etc. The aim of this review is to discuss recent advances in the catalytic hydrogenation of furfural towards (tetrahydro)furfuryl alcohol and 2-methyl(tetrahydro)furan in terms of different non-noble metal and noble metal catalytic systems. Reaction mechanisms that are related to the different catalytic materials and reaction conditions are properly discussed. Selective hydrogenation of furfural could be modified not only by varying the types of catalyst (nature of metal, support, and preparation method) and reaction conditions, but also by altering the reaction regime, namely from batch to continuous flow. In any case, furfural catalytic hydrogenation is an open research line, which represents an attractive option for biomass valorization towards valuable chemicals and fuels.

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    Authors: Chaonan Cui; Mengnan Sun; Xinli Zhu; Jinyu Han; +2 Authors

    Pt3M (M = 3d transition metals) supported on oxygen-doped graphene as an electrocatalyst for oxygen reduction was investigated using the periodic density functional theory-based computational method. The results show that oxygen prefers to adsorb on supported Pt3M in a bridging di-oxygen configuration. Upon reduction, the O–O bond breaks spontaneously and the oxygen adatom next to the metal–graphene interface is hydrogenated, resulting in co-adsorbed O* and OH* species. Water formation was found to be the potential-limiting step on all catalysts. The activity for the oxygen reduction reaction was evaluated against the difference of the oxygen adsorption energy on the Pt site and the M site of Pt3M and the results indicate that the oxygen adsorption energy difference offers an improved prediction of the oxygen reduction activity on these catalysts. Based on the analysis, Pt3Ni supported on oxygen-doped graphene exhibits an enhanced catalytic performance for oxygen reduction over Pt4.

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