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  1. Article ; Online: Mechanistic Studies of Stimulus-Response Integrated Catalysis of Single-Atom Alloys under Electric Fields for Electrochemical Nitrogen Reduction.

    Li, Shan / Wang, Chang-Wei / Zhao, Xiang / Dang, Jing-Shuang / Li, Jun

    The journal of physical chemistry letters

    2024  Volume 15, Issue 19, Page(s) 5088–5095

    Abstract: The present work introduces a novel catalytic strategy to promote the nitrogen reduction reaction (NRR) by employing a cooperative Cu-based single-atom alloy (SAA) and oriented external electric fields (OEEFs) as catalysts. The field strength ( ...

    Abstract The present work introduces a novel catalytic strategy to promote the nitrogen reduction reaction (NRR) by employing a cooperative Cu-based single-atom alloy (SAA) and oriented external electric fields (OEEFs) as catalysts. The field strength (
    Language English
    Publishing date 2024-05-06
    Publishing country United States
    Document type Journal Article
    ISSN 1948-7185
    ISSN (online) 1948-7185
    DOI 10.1021/acs.jpclett.4c00711
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: The

    He, Hongyuan / Qiu, Zi-Yang / Yin, Zhiyuan / Kong, Jiafan / Dang, Jing-Shuang / Lei, Haitao / Zhang, Wei / Cao, Rui

    Chemical communications (Cambridge, England)

    2024  

    Abstract: We report Fe porphyrins bearing ... ...

    Abstract We report Fe porphyrins bearing different
    Language English
    Publishing date 2024-05-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472881-3
    ISSN 1364-548X ; 1359-7345 ; 0009-241X
    ISSN (online) 1364-548X
    ISSN 1359-7345 ; 0009-241X
    DOI 10.1039/d4cc01630k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Construction of Naphthalene Diimide Derived Nanostructured Cathodes through Self-Assembly for High-Performance Sodium-Organic Batteries.

    Xing, Fangfang / Li, Shan / Chen, Ling / Dang, Jing-Shuang / He, Xiaoming

    ACS nano

    2023  Volume 17, Issue 21, Page(s) 21432–21442

    Abstract: Organic nanostructured electrodes are very attractive for next-generation sodium-ion batteries. Their great advantages in improved electron and ion transport and more exposed redox-active sites would lead to a higher actual capacity and enhanced rate ... ...

    Abstract Organic nanostructured electrodes are very attractive for next-generation sodium-ion batteries. Their great advantages in improved electron and ion transport and more exposed redox-active sites would lead to a higher actual capacity and enhanced rate performance. However, facile and cost-effective methods for the fabrication of nanostructured organic electrodes are still highly challenging and very rare. In this work, we utilize a bioinspired self-assembly strategy to fabricate nanostructured cathodes based on a rationally designed
    Language English
    Publishing date 2023-10-23
    Publishing country United States
    Document type Journal Article
    ISSN 1936-086X
    ISSN (online) 1936-086X
    DOI 10.1021/acsnano.3c06189
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Nitrogen Electroreduction on Borophene-Supported Atomic and Diatomic Transition Metals: Stability, Activity and Selectivity Improvements via Defect-Engineering.

    Sun, Yi-Bing / Liu, Yi-Qing / Zhao, Xiang / Wang, Wei-Wei / Dang, Jing-Shuang

    ChemSusChem

    2022  Volume 15, Issue 18, Page(s) e202200930

    Abstract: The present work investigated the binding of atomically dispersed transition metals to the perfect and single/double vacancy (SV/DV)-containing defective ... ...

    Abstract The present work investigated the binding of atomically dispersed transition metals to the perfect and single/double vacancy (SV/DV)-containing defective β
    Language English
    Publishing date 2022-08-10
    Publishing country Germany
    Document type Journal Article
    ISSN 1864-564X
    ISSN (online) 1864-564X
    DOI 10.1002/cssc.202200930
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Trapped copper in [6]cycloparaphenylene: a fully-exposed Cu₇ single cluster for highly active and selective CO electro-reduction

    Liu, Yi-Qing / Qiu, Zi-Yang / Zhao, Xiang / Wang, Wei-Wei / Dang, Jing-Shuang

    Journal of materials chemistry A. 2021 Nov. 30, v. 9, no. 46

    2021  

    Abstract: The present work introduces a new single cluster catalyst consisting of loop-like [6]cycloparaphenylene ([6]CPP) as the support and an exposed central hexagonal-shaped Cu₇ cluster as the metal center. DFT calculations prove that, originating from the ... ...

    Abstract The present work introduces a new single cluster catalyst consisting of loop-like [6]cycloparaphenylene ([6]CPP) as the support and an exposed central hexagonal-shaped Cu₇ cluster as the metal center. DFT calculations prove that, originating from the mixed charge state and resultant synergistic effect of Cu atoms, Cu₇@[6]CPP can be utilized as a highly active and selective catalyst for the electro-reduction of CO to produce formaldehyde.
    Keywords catalysts ; chemistry ; copper ; cycloparaphenylenes ; formaldehyde ; synergism
    Language English
    Dates of publication 2021-1130
    Size p. 25922-25926.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 2702232-8
    ISSN 2050-7496 ; 2050-7488
    ISSN (online) 2050-7496
    ISSN 2050-7488
    DOI 10.1039/d1ta06688a
    Database NAL-Catalogue (AGRICOLA)

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  6. Article: A mechanistic study of B36-supported atomic Au promoted CO2 electroreduction to formic acid

    Li, Wen-Ying / Zhao, Xiang / Dang, Jing-Shuang

    Journal of materials chemistry A. 2019 June 11, v. 7, no. 23

    2019  

    Abstract: We introduce a single-atom catalyst in which atomic gold resides in the corner sites of a recently discovered B36 cluster. By means of quantum chemistry calculations, we propose that B36Au is capable of adsorbing CO2 and promoting a highly active and ... ...

    Abstract We introduce a single-atom catalyst in which atomic gold resides in the corner sites of a recently discovered B36 cluster. By means of quantum chemistry calculations, we propose that B36Au is capable of adsorbing CO2 and promoting a highly active and selective CO2 reduction process to form HCOOH, with a tiny electrochemical limiting potential of −0.08 V.
    Keywords carbon dioxide ; catalysts ; electrochemistry ; formic acid ; gold
    Language English
    Dates of publication 2019-0611
    Size p. 13935-13940.
    Publishing place The Royal Society of Chemistry
    Document type Article
    ZDB-ID 2702232-8
    ISSN 2050-7496 ; 2050-7488
    ISSN (online) 2050-7496
    ISSN 2050-7488
    DOI 10.1039/c9ta03983j
    Database NAL-Catalogue (AGRICOLA)

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  7. Article ; Online: Defective h-BN sheet embedded atomic metals as highly active and selective electrocatalysts for NH

    Sun, Peng-Fei / Wang, Wen-Liang / Zhao, Xiang / Dang, Jing-Shuang

    Physical chemistry chemical physics : PCCP

    2020  Volume 22, Issue 39, Page(s) 22627–22634

    Abstract: NO electrochemical reduction (NOER) is a promising route for the removal of pollutant NO and the production of ammonia. In this work, by means of first-principles computations, we designed a series of single atom catalysts consisting of atomic transition ...

    Abstract NO electrochemical reduction (NOER) is a promising route for the removal of pollutant NO and the production of ammonia. In this work, by means of first-principles computations, we designed a series of single atom catalysts consisting of atomic transition metals anchored onto defective hexagonal boron nitride (h-BN) with boron vacancies (TM@h-BN). Among all nine candidates, our results revealed that Cu@h-BN and Ni@h-BN showed excellent NOER performances with relatively low limiting potentials of 0.23 and 0.31 V, respectively, which are comparable to (or even better than) that of the benchmark Pt catalyst (0.25 V). Moreover, Cu@h-BN and Ni@h-BN can significantly inhibit the competitive hydrogen evolution reaction, suggesting that the promoted ammonia formation is a low-potential and highly selective process.
    Language English
    Publishing date 2020-09-30
    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/d0cp03559a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Defective hBN-Supported Fe

    Liu, Yi-Qing / Guo, Zi-Yi / Qiu, Zi-Yang / Wang, Wei-Wei / Lin, Haiping / Zhao, Xiang / Dang, Jing-Shuang

    ACS applied materials & interfaces

    2022  Volume 14, Issue 41, Page(s) 46657–46664

    Abstract: The present work introduces the multiple CO reduction toward ... ...

    Abstract The present work introduces the multiple CO reduction toward C
    Language English
    Publishing date 2022-10-04
    Publishing country United States
    Document type Journal Article
    ISSN 1944-8252
    ISSN (online) 1944-8252
    DOI 10.1021/acsami.2c13154
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Anchored atomic tungsten on a B

    Li, Wen-Ying / Sun, Yi-Bing / Li, Meng-Yang / Zhang, Xiao-Yu / Zhao, Xiang / Dang, Jing-Shuang

    Physical chemistry chemical physics : PCCP

    2021  Volume 23, Issue 3, Page(s) 2469–2474

    Abstract: In comparison with the prevalent 2D material-supported single atom catalysts (SACs), the design and fabrication of SACs with single molecule substrates are still challenging. Here we introduce a new type of SAC in which a recently identified all-boron ... ...

    Abstract In comparison with the prevalent 2D material-supported single atom catalysts (SACs), the design and fabrication of SACs with single molecule substrates are still challenging. Here we introduce a new type of SAC in which a recently identified all-boron fullerene B40 is employed as the support and its catalytic performance toward the nitrogen reduction reaction (NRR) process is explored in theory. Taking advantage of the novel heptagonal ring substructure on the sphere and the electron-deficient nature of boron, the atomic metals are facile to reside on B40 to form atomically dispersed η7-B40M exohedral complexes. Among a series of candidates, originating from the proper metal-adsorbate interactions, the atomic tungsten-decorated B40W is screened out as the most feasible catalyst for the NRR with a low over-potential and high selectivity to passivate the competitive hydrogen evolution process.
    Language English
    Publishing date 2021-01-19
    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/d0cp06178f
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Bingel-Hirsch reaction mechanisms on TiSc2N@Ih-C80: the role of endohedral titanium nitride.

    Zhao, Pei / Dang, Jing-Shuang / Zhao, Xiang

    Physical chemistry chemical physics : PCCP

    2016  Volume 18, Issue 14, Page(s) 9709–9714

    Abstract: Recently, two unconventional singly bonded monoadducts of mixed-metal nitride clusterfullerene TiSc2N@Ih-C80 have been synthesized. Herein, the site-selectivity and kinetic processes of Bingel-Hirsch reactions are explored by density functional theory ... ...

    Abstract Recently, two unconventional singly bonded monoadducts of mixed-metal nitride clusterfullerene TiSc2N@Ih-C80 have been synthesized. Herein, the site-selectivity and kinetic processes of Bingel-Hirsch reactions are explored by density functional theory calculations. Because of the rotation of the inner TiSc2N unit, two different types of singly bonded monoadducts (named 666 and 566 adducts) are clarified. Meanwhile, the two functionalized sites are situated above the Ti-Sc edge of the inner cluster in singly bonded adducts. Addition on the triple-fused-hexagon site (6-6-6 site) is found to be kinetically preferred, which can be attributed to the more positive charge of the carbon in the 6-6-6 site. In addition, we investigated the formation process of two conventional cycloadducts. A preference for the addition on the bridged hexagon-hexagon bond is concluded in theory, furthermore, one Sc atom instead of the Ti atom is pointing to the functionalized bond for the lowest-energy orientational product.
    Language English
    Publishing date 2016-04-14
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c6cp00389c
    Database MEDical Literature Analysis and Retrieval System OnLINE

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