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  1. Article ; Online: Rare-earth metal-N

    Zeng, Xianshi / Liao, Luliang / Wang, Meishan / Wang, Hongming

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 30, Page(s) 20381–20394

    Abstract: Single-atom catalysts fabricated using rare earth elements have emerged for electrocatalytic carbon dioxide reduction, but they need to be studied systematically and intensively. Herein, density functional theory was employed to determine the ... ...

    Abstract Single-atom catalysts fabricated using rare earth elements have emerged for electrocatalytic carbon dioxide reduction, but they need to be studied systematically and intensively. Herein, density functional theory was employed to determine the electrocatalytic CO
    Language English
    Publishing date 2023-08-02
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp02314a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Theoretical Prediction of Electrocatalytic Reduction of CO

    Zeng, Xianshi / Liao, Luliang / Yu, Qiming / Wang, Meishan / Wang, Hongming

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2023  Volume 29, Issue 64, Page(s) e202302232

    Abstract: Transition metals and organic ligands combine to form metal-organic frameworks (MOFs), which possess distinct active sites, large specific surface areas and stable porous structures, giving them considerable promise for ... ...

    Abstract Transition metals and organic ligands combine to form metal-organic frameworks (MOFs), which possess distinct active sites, large specific surface areas and stable porous structures, giving them considerable promise for CO
    Language English
    Publishing date 2023-10-10
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202302232
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Multilayer-Cavity Tandem Catalyst for Profiling Sequentially Coupling of Intermediate CO in Electrocatalytic Reduction Reaction of CO

    Yu, Fuqing / Liu, Xian / Liao, Luliang / Xia, Guomin / Wang, Hongming

    Small (Weinheim an der Bergstrasse, Germany)

    2023  Volume 19, Issue 38, Page(s) e2301558

    Abstract: Electrochemical ... ...

    Abstract Electrochemical CO
    Language English
    Publishing date 2023-04-28
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2168935-0
    ISSN 1613-6829 ; 1613-6810
    ISSN (online) 1613-6829
    ISSN 1613-6810
    DOI 10.1002/smll.202301558
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Two-Dimensional (2D) TM-Tetrahydroxyquinone Metal-Organic Framework for Selective CO

    Zeng, Xianshi / Xiao, Chuncai / Liao, Luliang / Tu, Zongxing / Lai, Zhangli / Xiong, Kai / Wen, Yufeng

    Nanomaterials (Basel, Switzerland)

    2022  Volume 12, Issue 22

    Abstract: The resource utilization of CO2 is one of the essential avenues to realize the goal of "double carbon". The metal-organic framework (MOF) has shown promising applications in CO2 catalytic reduction reactions due to its sufficient pore structure, abundant ...

    Abstract The resource utilization of CO2 is one of the essential avenues to realize the goal of "double carbon". The metal-organic framework (MOF) has shown promising applications in CO2 catalytic reduction reactions due to its sufficient pore structure, abundant active sites and functionalizability. In this paper, we investigated the electrocatalytic carbon dioxide reduction reactions of single-atom catalysts created by MOF two-dimensional coordination network materials constructed from transition metal-tetrahydroxybenzoquinone using density function theory calculations. The results indicate that for 10 transition metals, TM-THQ single levels ranging from Sc to Zn, the metal atom binding energy to the THQ is large enough to allow the metal atoms to be stably dispersed in the THQ monolayer. The Ni-THQ catalyst does not compete with the HER reaction in an electrocatalytic CO2 reduction. The primary product of reduction for Sc-THQ is HCOOH, but the major product of Co-THQ is HCHO. The main product of Cu-THQ is CO, while the main product of six catalysts, Ti, V, Cr, Mn, Fe, and Zn, is CH4. The limit potential and overpotential of Ti-THQ are the highest, 1.043 V and 1.212 V, respectively. The overpotentials of the other monolayer catalysts ranged from 0.172 to 0.952 V, and they were all relatively low. Therefore, we forecast that the TM-HQ monolayer will show powerful activity in electrocatalytic carbon dioxide reduction, making it a prospective electrocatalyst for carbon dioxide reduction.
    Language English
    Publishing date 2022-11-17
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2662255-5
    ISSN 2079-4991
    ISSN 2079-4991
    DOI 10.3390/nano12224049
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Two-Dimensional Transition Metal-Hexaaminobenzene Monolayer Single-Atom Catalyst for Electrocatalytic Carbon Dioxide Reduction.

    Zeng, Xianshi / Tu, Zongxing / Yuan, Yanli / Liao, Luliang / Xiao, Chuncai / Wen, Yufeng / Xiong, Kai

    Nanomaterials (Basel, Switzerland)

    2022  Volume 12, Issue 22

    Abstract: Electrocatalytic reduction of ... ...

    Abstract Electrocatalytic reduction of CO
    Language English
    Publishing date 2022-11-14
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2662255-5
    ISSN 2079-4991
    ISSN 2079-4991
    DOI 10.3390/nano12224005
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Saturated Coordination LuN

    Liao, Luliang / Xia, Guomin / Yu, Fuqing / Liu, Xian / Shu, Minxing / Zhang, Guangyao / Zeng, Xianshi / Wang, Hongming

    Small (Weinheim an der Bergstrasse, Germany)

    2023  Volume 19, Issue 37, Page(s) e2300926

    Abstract: Metal single-atom and internal structural defects typically coexist in M-N-C materials obtained through the existing basic pyrolysis processes. Identifying a correlation between them to understand the structure-activity relationship and achieve efficient ...

    Abstract Metal single-atom and internal structural defects typically coexist in M-N-C materials obtained through the existing basic pyrolysis processes. Identifying a correlation between them to understand the structure-activity relationship and achieve efficient catalytic performance is important, particularly for the rare-earth (RE) elements with rich electron orbitals and strong coordination capabilities. Herein, a novel single-atom catalyst based on the RE element lutetium is successfully synthesized on a N-C support. Structural and simulation analyses demonstrate that the formation of a LuN
    Language English
    Publishing date 2023-05-07
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2168935-0
    ISSN 1613-6829 ; 1613-6810
    ISSN (online) 1613-6829
    ISSN 1613-6810
    DOI 10.1002/smll.202300926
    Database MEDical Literature Analysis and Retrieval System OnLINE

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