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Increase of Co 3d projected electronic density of states in AgCoO2 enabled an efficient electrocatalyst toward oxygen evolution reaction

机译:AGCOO2中的CO 3D投射电子密度的增加使氧气进化反应的有效电催化剂使得能够有效

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摘要

The rational design and precise optimization of electronic structure of catalyst are highly desirable in developing efficient oxygen evolution reaction (OER) electrocatalysts. Here we successfully tailored the surface charge of silver delafossite AgCoO2 (ACO) and turn it into an efficient OER catalysts via tuning surface charge transfer state. XAFS and NEXAFS results evidenced an increased occupied Co 3d projected state in hybrid and a synergistic electronic interaction between Ag and ACO. The ACO/Ag catalyst requires an overpotential of 271 mV to reach the current density of 10 mA cm(-2), which is much smaller than that of pure ACO, most Co-oxide-based OER electrocatalysts and RuO2 (369 mV) or IrO2 (338 mV) catalysts. Moreover, density functional theory calculations show that the reduction of unoccupied Co 3d projected state in the hybrid brings optimized delocalized charge density of ACO and decreased reaction free energy barriers involved on the Co site in OER, which are essential for the unusual performance.
机译:在显影有效的氧化反应(OER)电催化剂时,非常需要催化剂的电子结构的合理设计和精确优化。在这里,我们成功地定制了银Delafossite AgCoO2(ACO)的表面电荷,并通过调谐表面电荷传递状态将其变成高效的OER催化剂。 XAFS和NEXAFS结果在混合动力和AG和ACO之间的协同电子交互中显现了占用的CO 3D投影状态增加。 ACO / Ag催化剂需要271mV的过电位,以达到10 mA cm(-2)的电流密度,比纯ACO,大多数基于共氧化物的oer电催化剂和Ruo2(369mV)或ruo2(369mV)小得多IRO2(338mV)催化剂。此外,密度函数理论计算表明,杂交中的未占用CO 3D投影状态的减少使得OER中CO位点上涉及的ACO的优化的分层电荷密度降低,从而为oer中涉及的无障碍能量障碍。

著录项

  • 来源
    《Nano Energy》 |2019年第2019期|共8页
  • 作者单位

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Chinese Acad Sci High Field Magnet Lab Anhui Prov Key Lab Condensed Matter Phys Extreme Hefei 230031 Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

    Univ Sci &

    Technol China Hefei Natl Lab Phys Sci Microscale Hefei Anhui Peoples R China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 能源与动力工程;
  • 关键词

    AgCoO2; Interfacial charge transfer state; AgCoO2/Ag hybrid; Surface charge states; OER; Theory calculations;

    机译:AGCOO2;界面电荷转移状态;AGCOO2 / AG杂交;表面充电状态;OER;理论计算;

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