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Tuning of lattice oxygen reactivity and scaling relation to construct better oxygen evolution electrocatalyst

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  • Zhen-Feng Huang

    (Nanyang Technological University
    Tianjin University)

  • Shibo Xi

    (Institute of Chemical and Engineering Sciences, A*STAR)

  • Jiajia Song

    (Nanyang Technological University
    Tianjin University)

  • Shuo Dou

    (Nanyang Technological University)

  • Xiaogang Li

    (Nanyang Technological University)

  • Yonghua Du

    (Institute of Chemical and Engineering Sciences, A*STAR
    National Synchrotron Light Source II, Brookhaven National Laboratory)

  • Caozheng Diao

    (National University of Singapore)

  • Zhichuan J. Xu

    (Nanyang Technological University)

  • Xin Wang

    (Nanyang Technological University)

Abstract

Developing efficient and low-cost electrocatalysts for oxygen evolution reaction is crucial in realizing practical energy systems for sustainable fuel production and energy storage from renewable energy sources. However, the inherent linear scaling relation for most catalytic materials imposes a theoretical overpotential ceiling, limiting the development of efficient electrocatalysts. Herein, using modeled NaxMn3O7 materials, we report an effective strategy to construct better oxygen evolution electrocatalyst through tuning both lattice oxygen reactivity and scaling relation via alkali metal ion mediation. Specifically, the number of Na+ is linked with lattice oxygen reactivity, which is determined by the number of oxygen hole in oxygen lone-pair states formed by native Mn vacancies, governing the barrier symmetry between O–H bond cleavage and O–O bond formation. On the other hand, the presence of Na+ could have specific noncovalent interaction with pendant oxygen in *OOH to overcome the limitation from linear scaling relation, reducing the overpotential ceiling. Combining in situ spectroscopy-based characterization with first-principles calculations, we demonstrate that an intermediate level of Na+ mediation (NaMn3O7) exhibits the optimum oxygen evolution activity. This work provides a new rational recipe to develop highly efficient catalyst towards water oxidation or other oxidative reactions through tuning lattice oxygen reactivity and scaling relation.

Suggested Citation

  • Zhen-Feng Huang & Shibo Xi & Jiajia Song & Shuo Dou & Xiaogang Li & Yonghua Du & Caozheng Diao & Zhichuan J. Xu & Xin Wang, 2021. "Tuning of lattice oxygen reactivity and scaling relation to construct better oxygen evolution electrocatalyst," Nature Communications, Nature, vol. 12(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-24182-w
    DOI: 10.1038/s41467-021-24182-w
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    1. Xu Luo & Hongyu Zhao & Xin Tan & Sheng Lin & Kesong Yu & Xueqin Mu & Zhenhua Tao & Pengxia Ji & Shichun Mu, 2024. "Fe-S dually modulated adsorbate evolution and lattice oxygen compatible mechanism for water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    2. Siran Xu & Sihua Feng & Yue Yu & Dongping Xue & Mengli Liu & Chao Wang & Kaiyue Zhao & Bingjun Xu & Jia-Nan Zhang, 2024. "Dual-site segmentally synergistic catalysis mechanism: boosting CoFeSx nanocluster for sustainable water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    3. Qianqian Ji & Bing Tang & Xilin Zhang & Chao Wang & Hao Tan & Jie Zhao & Ruiqi Liu & Mei Sun & Hengjie Liu & Chang Jiang & Jianrong Zeng & Xingke Cai & Wensheng Yan, 2024. "Operando identification of the oxide path mechanism with different dual-active sites for acidic water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    4. Zuyun He & Jun Zhang & Zhiheng Gong & Hang Lei & Deng Zhou & Nian Zhang & Wenjie Mai & Shijun Zhao & Yan Chen, 2022. "Activating lattice oxygen in NiFe-based (oxy)hydroxide for water electrolysis," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    5. Haoyin Zhong & Qi Zhang & Junchen Yu & Xin Zhang & Chao Wu & Hang An & Yifan Ma & Hao Wang & Jun Zhang & Yong-Wei Zhang & Caozheng Diao & Zhi Gen Yu & Shibo Xi & Xiaopeng Wang & Junmin Xue, 2023. "Key role of eg* band broadening in nickel-based oxyhydroxides on coupled oxygen evolution mechanism," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    6. Yin Qin & Tingting Yu & Sihao Deng & Xiao-Ye Zhou & Dongmei Lin & Qian Zhang & Zeyu Jin & Danfeng Zhang & Yan-Bing He & Hua-Jun Qiu & Lunhua He & Feiyu Kang & Kaikai Li & Tong-Yi Zhang, 2022. "RuO2 electronic structure and lattice strain dual engineering for enhanced acidic oxygen evolution reaction performance," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    7. Fangqing Wang & Peichao Zou & Yangyang Zhang & Wenli Pan & Ying Li & Limin Liang & Cong Chen & Hui Liu & Shijian Zheng, 2023. "Activating lattice oxygen in high-entropy LDH for robust and durable water oxidation," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    8. Shujiao Yang & Kaihang Yue & Xiaohan Liu & Sisi Li & Haoquan Zheng & Ya Yan & Rui Cao & Wei Zhang, 2024. "Electrocatalytic water oxidation with manganese phosphates," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    9. Weihao Zeng & Fanjie Xia & Juan Wang & Jinlong Yang & Haoyang Peng & Wei Shu & Quan Li & Hong Wang & Guan Wang & Shichun Mu & Jinsong Wu, 2024. "Entropy-increased LiMn2O4-based positive electrodes for fast-charging lithium metal batteries," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    10. Shiyi Chen & Shishi Zhang & Lei Guo & Lun Pan & Chengxiang Shi & Xiangwen Zhang & Zhen-Feng Huang & Guidong Yang & Ji-Jun Zou, 2023. "Reconstructed Ir‒O‒Mo species with strong Brønsted acidity for acidic water oxidation," Nature Communications, Nature, vol. 14(1), pages 1-13, December.
    11. Zhengwei Cai & Jie Liang & Zixiao Li & Tingyu Yan & Chaoxin Yang & Shengjun Sun & Meng Yue & Xuwei Liu & Ting Xie & Yan Wang & Tingshuai Li & Yongsong Luo & Dongdong Zheng & Qian Liu & Jingxiang Zhao , 2024. "Stabilizing NiFe sites by high-dispersity of nanosized and anionic Cr species toward durable seawater oxidation," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    12. Zuyun He & Jinwoo Hwang & Zhiheng Gong & Mengzhen Zhou & Nian Zhang & Xiongwu Kang & Jeong Woo Han & Yan Chen, 2022. "Promoting biomass electrooxidation via modulating proton and oxygen anion deintercalation in hydroxide," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    13. Pengcheng Ye & Keqing Fang & Haiyan Wang & Yahao Wang & Hao Huang & Chenbin Mo & Jiqiang Ning & Yong Hu, 2024. "Lattice oxygen activation and local electric field enhancement by co-doping Fe and F in CoO nanoneedle arrays for industrial electrocatalytic water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-12, December.

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