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  • Sulfur doping optimized intermediate energetics of FeCoOOH for enhanced oxygen evolution catalytic activity

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    Author(s)
    Yuan, D
    Dou, Y
    He, CT
    Yu, L
    Xu, L
    Adekoya, D
    Xia, Q
    Ma, J
    Dou, SX
    Zhang, S
    Griffith University Author(s)
    Dou, Yuhai
    Yuan, Ding
    Zhang, Shanqing
    Adekoya, David D.
    Year published
    2021
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    Abstract
    Transition metal sulfides have been demonstrated to be more active electrocatalysts than the corresponding (hydr)oxides for oxygen evolution reaction (OER). The nature of active sites, however, remains unclear. Here, we study whether S could promote the OER activity of FeCoOOH and try to identify the catalytically active centers. Density functional theory suggests that two coordinating S could work synergistically with one adjacent Fe to optimize the electronic states of Co, resulting in decreased binding energy of OH∗ (ΔEOH) while little changed ΔEO, and thus significantly lowering the catalytic overpotential. Further ...
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    Transition metal sulfides have been demonstrated to be more active electrocatalysts than the corresponding (hydr)oxides for oxygen evolution reaction (OER). The nature of active sites, however, remains unclear. Here, we study whether S could promote the OER activity of FeCoOOH and try to identify the catalytically active centers. Density functional theory suggests that two coordinating S could work synergistically with one adjacent Fe to optimize the electronic states of Co, resulting in decreased binding energy of OH∗ (ΔEOH) while little changed ΔEO, and thus significantly lowering the catalytic overpotential. Further experimental studies validate the synergistic effect between S and Fe on tuning the electronic structure and the greatly improved catalytic activity with a small overpotential of 225.3 mV to drive 20 mA cm−2. This study reveals the origin of the high catalytic activity of transition metal sulfides and provides insights into the design of efficient OER electrocatalysts. Yuan et al. study the effect of S on the OER activity of FeCoOOH. Results show that two coordinating S and one adjacent Fe synergistically optimize the electronic states of Co, resulting in the decreased binding energy of OH∗ (ΔEOH), with little change to ΔEO, thus greatly enhancing the catalytic activity.
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    Journal Title
    Cell Reports Physical Science
    Volume
    2
    Issue
    2
    DOI
    https://doi.org/10.1016/j.xcrp.2021.100331
    Copyright Statement
    © The Author(s) 2021. This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International (CC BY-NC-ND 4.0) License, which permits unrestricted, non-commercial use, distribution and reproduction in any medium, providing that the work is properly cited.
    Subject
    Clinical Sciences
    Publication URI
    http://hdl.handle.net/10072/402746
    Collection
    • Journal articles

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