Spin states of metal centers in electrocatalysis

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Suntivich, J., May, K. J., Gasteiger, H. A., Goodenough, J. B., & Shao-Horn, Y. (2011) · Science · doi:10.1126/science.1212858 · Cited by 5,441

A review on fundamentals for designing oxygen evolution electrocatalysts

Song, J., Wei, C., Huang, Z.-F., Liu, C., Zeng, L., Wang, X., & Xu, Z. J. (2020) · Chemical Society Reviews · doi:10.1039/c9cs00607a · Cited by 2,936

Design principles for oxygen-reduction activity on perovskite oxide catalysts for fuel cells and metal–air batteries

Suntivich, J., Gasteiger, H. A., Yabuuchi, N., Nakanishi, H., Goodenough, J. B., & Shao-Horn, Y. (2011) · Nature Chemistry · doi:10.1038/nchem.1069 · Cited by 2,904

Density functional theory in surface chemistry and catalysis

Nørskov, J. K., Abild-Pedersen, F., Studt, F., & Bligaard, T. (2011) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1006652108 · Cited by 2,611

Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

Hong, W. T., Risch, M., Stoerzinger, K. A., Grimaud, A., Suntivich, J., & Shao-Horn, Y. (2015) · Energy & Environmental Science · doi:10.1039/c4ee03869j · Cited by 2,089

Molecular Orbital Theory for Organic Chemists

Streitwieser, A., & Salzberg, H. W. (1962) · Journal of The Electrochemical Society · doi:10.1149/1.2425396 · Cited by 1,704

Regulating Fe-spin state by atomically dispersed Mn-N in Fe-N-C catalysts with high oxygen reduction activity

Yang, G., Zhu, J., Yuan, P., Hu, Y., Qu, G., Lu, B.-A., Xue, X., Yin, H., Cheng, W., Cheng, J., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-21919-5 · Cited by 997

High-Resolution X-ray Emission and X-ray Absorption Spectroscopy

de Groot, F. (2001) · Chemical Reviews · doi:10.1021/cr9900681 · Cited by 883

Identification of durable and non-durable FeNx sites in Fe–N–C materials for proton exchange membrane fuel cells

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The magnetic structure of Co3O4

Roth, W. L. (1964) · Journal of Physics and Chemistry of Solids · doi:10.1016/0022-3697(64)90156-8 · Cited by 621

The threat to climate change mitigation posed by the abundance of fossil fuels.

Johnsson, F., Kjärstad, J., & Rootzén, J. (2019) · Climate Policy · doi:10.1080/14693062.2018.1483885 · Cited by 543

Microporous Framework Induced Synthesis of Single-Atom Dispersed Fe-N-C Acidic ORR Catalyst and Its in Situ Reduced Fe-N4 Active Site Identification Revealed by X-ray Absorption Spectroscopy

Xiao, M., Zhu, J., Ma, L., Jin, Z., Ge, J., Deng, X., Hou, Y., He, Q., Li, J., Jia, Q., et al. (2018) · ACS Catalysis · doi:10.1021/acscatal.8b00138 · Cited by 540

Selectivity in Electrochemical CO2 Reduction

Saha, P., Amanullah, S., & Dey, A. (2022) · Accounts of Chemical Research · doi:10.1021/acs.accounts.1c00678 · Cited by 528

Ca2Mn2O5 as Oxygen-Deficient Perovskite Electrocatalyst for Oxygen Evolution Reaction

Kim, J., Yin, X., Tsao, K.-C., Fang, S., & Yang, H. (2014) · Journal of the American Chemical Society · doi:10.1021/ja506254g · Cited by 527

Engineering electrocatalytic activity in nanosized perovskite cobaltite through surface spin-state transition

Zhou, S., Miao, X., Zhao, X., Ma, C., Qiu, Y., Hu, Z., Zhao, J., Shi, L., & Zeng, J. (2016) · Nature Communications · doi:10.1038/ncomms11510 · Cited by 508

Electrode reconstruction strategy for oxygen evolution reaction: maintaining Fe-CoOOH phase with intermediate-spin state during electrolysis

Lee, W. H., Han, M. H., Ko, Y.-J., Min, B. K., Chae, K. H., & Oh, H.-S. (2022) · Nature Communications · doi:10.1038/s41467-022-28260-5 · Cited by 486

Spin pinning effect to reconstructed oxyhydroxide layer on ferromagnetic oxides for enhanced water oxidation

Wu, T., Ren, X., Sun, Y., Sun, S., Xian, G., Scherer, G. G., Fisher, A. C., Mandler, D., Ager, J. W., Grimaud, A., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-23896-1 · Cited by 476

The Marriage of the FeN4 Moiety and MXene Boosts Oxygen Reduction Catalysis: Fe 3d Electron Delocalization Matters

Li, Z., Zhuang, Z., Lv, F., Zhu, H., Zhou, L., Luo, M., Zhu, J., Lang, Z., Feng, S., Chen, W., et al. (2018) · Advanced Materials · doi:10.1002/adma.201803220 · Cited by 449

Heterogeneous Spin States in Ultrathin Nanosheets Induce Subtle Lattice Distortion To Trigger Efficient Hydrogen Evolution

Liu, Y., Hua, X., Xiao, C., Zhou, T., Huang, P., Guo, Z., Pan, B., & Xie, Y. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b00858 · Cited by 425

Unraveling the Origin of Sulfur‐Doped Fe‐N‐C Single‐Atom Catalyst for Enhanced Oxygen Reduction Activity: Effect of Iron Spin‐State Tuning

Chen, Z., Niu, H., Ding, J., Liu, H., Chen, P., Lu, Y., Lu, Y., Zuo, W., Han, L., Guo, Y., et al. (2021) · Angewandte Chemie International Edition · doi:10.1002/anie.202110243 · Cited by 413

Identification of the Electronic and Structural Dynamics of Catalytic Centers in Single-Fe-Atom Material

Li, X., Cao, C.-S., Hung, S.-F., Lu, Y.-R., Cai, W., Rykov, A. I., Miao, S., Xi, S., Yang, H., Hu, Z., et al. (2020) · Chem · doi:10.1016/j.chempr.2020.10.027 · Cited by 399

Spin-State Regulation of Perovskite Cobaltite to Realize Enhanced Oxygen Evolution Activity

Tong, Y., Guo, Y., Chen, P., Liu, H., Zhang, M., Zhang, L., Yan, W., Chu, W., Wu, C., & Xie, Y. (2017) · Chem · doi:10.1016/j.chempr.2017.09.003 · Cited by 387

Tailoring the Co 3d-O 2p Covalency in LaCoO3 by Fe Substitution To Promote Oxygen Evolution Reaction

Duan, Y., Sun, S., Xi, S., Ren, X., Zhou, Y., Zhang, G., Yang, H., Du, Y., & Xu, Z. J. (2017) · Chemistry of Materials · doi:10.1021/acs.chemmater.7b04534 · Cited by 381

Spin-state reconfiguration induced by alternating magnetic field for efficient oxygen evolution reaction

Zhou, G., Wang, P., Li, H., Hu, B., Sun, Y., Huang, R., & Liu, L. (2021) · Nature Communications · doi:10.1038/s41467-021-25095-4 · Cited by 344

Spectroscopic Observation of Reversible Surface Reconstruction of Copper Electrodes under CO2 Reduction

Gunathunge, C. M., Li, X., Li, J., Hicks, R. P., Ovalle, V. J., & Waegele, M. M. (2017) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.7b03910 · Cited by 343

Boosting defective carbon by anchoring well-defined atomically dispersed metal-N4 sites for ORR, OER, and Zn-air batteries

Cheng, W., Yuan, P., Lv, Z., Guo, Y., Qiao, Y., Xue, X., Liu, X., Bai, W., Wang, K., Xu, Q., et al. (2020) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2019.118198 · Cited by 284

Electrochemistry in Magnetic Fields

Luo, S., Elouarzaki, K., & Xu, Z. J. (2022) · Angewandte Chemie International Edition · doi:10.1002/anie.202203564 · Cited by 268

Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

Vavra, J., Ramona, G. P. L., Dattila, F., Kormányos, A., Priamushko, T., Albertini, P. P., Loiudice, A., Cherevko, S., Lopéz, N., & Buonsanti, R. (2024) · Nature Catalysis · doi:10.1038/s41929-023-01070-8 · Cited by 246

Spin polarized Fe1−Ti pairs for highly efficient electroreduction nitrate to ammonia

Dai, J., Tong, Y., Zhao, L., Hu, Z., Chen, C.-T., Kuo, C.-Y., Zhan, G., Wang, J., Zou, X., Zheng, Q., et al. (2024) · Nature Communications · doi:10.1038/s41467-023-44469-4 · Cited by 240

Rational Design of Spinel Cobalt Vanadate Oxide Co2VO4 for Superior Electrocatalysis

Mu, C., Mao, J., Guo, J., Guo, Q., Li, Z., Qin, W., Hu, Z., Davey, K., Ling, T., & Qiao, S. (2020) · Advanced Materials · doi:10.1002/adma.201907168 · Cited by 213

Engineering the Electrical Conductivity of Lamellar Silver‐Doped Cobalt(II) Selenide Nanobelts for Enhanced Oxygen Evolution

Zhao, X., Zhang, H., Yan, Y., Cao, J., Li, X., Zhou, S., Peng, Z., & Zeng, J. (2017) · Angewandte Chemie International Edition · doi:10.1002/anie.201609080 · Cited by 210

Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution

Xia, C., Liang, H., Zhu, J., Schwingenschlögl, U., & Alshareef, H. N. (2017) · Advanced Energy Materials · doi:10.1002/aenm.201602089 · Cited by 199

Engineered spin state in Ce doped LaCoO3 with enhanced electrocatalytic activity for rechargeable Zn-Air batteries

Qian, J., Wang, T., Zhang, Z., Liu, Y., Li, J., & Gao, D. (2020) · Nano Energy · doi:10.1016/j.nanoen.2020.104948 · Cited by 198

Temperature- and pressure-induced spin-state transitions inLaCoO3

Vankó, G., Rueff, J.-P., Mattila, A., Németh, Z., & Shukla, A. (2006) · Physical Review B · doi:10.1103/physrevb.73.024424 · Cited by 196

In situ electron paramagnetic resonance spectroscopy for catalysis

Bonke, S. A., Risse, T., Schnegg, A., & Brückner, A. (2021) · Nature Reviews Methods Primers · doi:10.1038/s43586-021-00031-4 · Cited by 184

Regulating the Local Spin State and Band Structure in Ni3S2 Nanosheet for Improved Oxygen Evolution Activity

Wang, Z., Shen, S., Lin, Z., Tao, W., Zhang, Q., Meng, F., Gu, L., & Zhong, W. (2022) · Advanced Functional Materials · doi:10.1002/adfm.202112832 · Cited by 176

Regulating Spin States in Oxygen Electrocatalysis

Zhang, Z., Ma, P., Luo, L., Ding, X., Zhou, S., & Zeng, J. (2023) · Angewandte Chemie International Edition · doi:10.1002/anie.202216837 · Cited by 173

Atomic high-spin cobalt(II) center for highly selective electrochemical CO reduction to CH3OH

Ding, J., Wei, Z., Li, F., Zhang, J., Zhang, Q., Zhou, J., Wang, W., Liu, Y., Zhang, Z., Su, X., et al. (2023) · Nature Communications · doi:10.1038/s41467-023-42307-1 · Cited by 168

Efficient acidic hydrogen evolution in proton exchange membrane electrolyzers over a sulfur-doped marcasite-type electrocatalyst

Zhang, X.-L., Yu, P.-C., Su, X.-Z., Hu, S.-J., Shi, L., Wang, Y.-H., Yang, P.-P., Gao, F.-Y., Wu, Z.-Z., Chi, L.-P., et al. (2023) · Science Advances · doi:10.1126/sciadv.adh2885 · Cited by 164

Low-spin state of Fe in Fe-doped NiOOH electrocatalysts

He, Z.-D., Tesch, R., Eslamibidgoli, M. J., Eikerling, M. H., & Kowalski, P. M. (2023) · Nature Communications · doi:10.1038/s41467-023-38978-5 · Cited by 159

Modulation of Electronics of Oxide Perovskites by Sulfur Doping for Electrocatalysis in Rechargeable Zn–Air Batteries

Ran, J., Wang, T., Zhang, J., Liu, Y., Xu, C., Xi, S., & Gao, D. (2020) · Chemistry of Materials · doi:10.1021/acs.chemmater.9b05148 · Cited by 149

Nickel-facilitated in-situ surface reconstruction on spinel Co3O4 for enhanced electrochemical nitrate reduction to ammonia

Qiao, L., Liu, D., Zhu, A., Feng, J., Zhou, P., Liu, C., Ng, K. W., & Pan, H. (2023) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2023.123219 · Cited by 142

High-spin state Fe(III) doped TiO2 for electrocatalytic nitrogen fixation induced by surface F modification

Song, G., Gao, R., Zhao, Z., Zhang, Y., Tan, H., Li, H., Wang, D., Sun, Z., & Feng, M. (2021) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2021.120809 · Cited by 136

Boosting Nitrogen Reduction to Ammonia on FeN 4 Sites by Atomic Spin Regulation

Wang, Y., Cheng, W., Yuan, P., Yang, G., Mu, S. C., Liang, J., Xia, H., Guo, K., Liu, M., Zhao, S., et al. (2021) · Advanced Science · doi:10.1002/advs.202102915 · Cited by 116

Dynamic Surface Reconstruction of Amphoteric Metal (Zn, Al) Doped Cu 2 O for Efficient Electrochemical CO 2 Reduction to C 2+ Products

Jia, Y., Ding, Y., Song, T., Xu, Y., Li, Y., Duan, L., Li, F., Sun, L., & Fan, K. (2023) · Advanced Science · doi:10.1002/advs.202303726 · Cited by 116

Single-metal-atom site with high-spin state embedded in defective BN nanosheet promotes electrocatalytic nitrogen reduction

Fang, C., & An, W. (2021) · Nano Research · doi:10.1007/s12274-021-3373-4 · Cited by 115

Probing active sites in iron-based catalysts for oxygen electro-reduction: A temperature-dependent 57 Fe Mössbauer spectroscopy study

Sougrati, M. T., Goellner, V., Mechler, A. K., Stievano, L., & Jaouen, F. (2015) · Catalysis Today · doi:10.1016/j.cattod.2015.10.017 · Cited by 98

Electron Transfer‐Induced Metal Spin‐Crossover at NiCo2S4/ReS2 2D–2D Interfaces for Promoting pH‐universal Hydrogen Evolution Reaction

Pei, C., Kim, M. C., Li, Y., Xia, C., Kim, J., So, W., Yu, X., Park, H. S., & Kim, J. K. (2022) · Advanced Functional Materials · doi:10.1002/adfm.202210072 · Cited by 94

Tuning Spin State of Rock‐Salt‐Based Oxides by Manipulation of Crystallinity for Efficient Oxygen Electrocatalysis

Jin, Y., Li, Z., Wang, J., Li, R., Li, Z., Liu, H., Mao, J., Dong, C., Yang, J. L., Qiao, S., et al. (2018) · Advanced Energy Materials · doi:10.1002/aenm.201703469 · Cited by 90

Tuning Fe Spin Moment in Fe–N–C Catalysts to Climb the Activity Volcano via a Local Geometric Distortion Strategy

Wang, R., Zhang, L., Shan, J., Yang, Y., Lee, J., Chen, T., Mao, J., Zhao, Y., Yang, L., Hu, Z., et al. (2022) · Advanced Science · doi:10.1002/advs.202203917 · Cited by 83

Co-based molecular catalysts for efficient CO2 reduction via regulating spin states

Kong, X., Ke, J., Wang, Z., Liu, Y., Wang, Y., Zhou, W., Yang, Z., Yan, W., Geng, Z., & Zeng, J. (2021) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2021.120067 · Cited by 82

Relationship between the Surface Reconstruction of Nickel Phosphides and Their Activity toward the Hydrogen Evolution Reaction

Banerjee, S., Kakekhani, A., Wexler, R. B., & Rappe, A. M. (2023) · ACS Catalysis · doi:10.1021/acscatal.2c06427 · Cited by 80

Tailoring Spin State of Perovskite Oxides by Fluorine Atom Doping for Efficient Oxygen Electrocatalysis

Ran, J., Wang, L., Si, M., Liang, X., & Gao, D. (2022) · Small · doi:10.1002/smll.202206367 · Cited by 78

Solid-acid-mediated electronic structure regulation of electrocatalysts and scaling relation breaking of oxygen evolution reaction

Zhang, R., Wang, L., Pan, L., Chen, Z., Jia, W., Zhang, X., & Zou, J. (2020) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2020.119237 · Cited by 72

Regulating the Spin State of Nickel in Molecular Catalysts for Boosting Carbon Dioxide Reduction

Wang, X., Fu, Y., Tranca, D., Jiang, K., Zhu, J., Zhang, J., Han, S., Ke, C., Lu, C., & Zhuang, X. (2021) · ACS Applied Energy Materials · doi:10.1021/acsaem.1c00269 · Cited by 60

Inducing Fe 3d Electron Delocalization and Spin-State Transition of FeN4 Species Boosts Oxygen Reduction Reaction for Wearable Zinc–Air Battery

Chen, S., Liang, X., Hu, S., Li, X., Zhang, G., Wang, S., Ma, L., Wu, C. L., Zhi, C., & Zapien, J. A. (2023) · Nano-Micro Letters · doi:10.1007/s40820-023-01014-8 · Cited by 53

Spin State Tuning of the Octahedral Sites in Ni–Co-Based Spinel toward Highly Efficient Urea Oxidation Reaction

Li, Y., Jiang, H., Cui, Z., Zhu, S., Li, Z., Wu, S., Ma, L., Han, X., & Liang, Y. (2021) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.1c02116 · Cited by 47

Spin state engineered Zn x Co 3−x O 4 as an efficient oxygen evolution electrocatalyst

Mohan, R. R., Pillai, V. K., & Joy, P. A. (2018) · Physical Chemistry Chemical Physics · doi:10.1039/c8cp06641h · Cited by 44

Temperature-Induced Lattice Distortion in ZnCo 2 O 4 for Improving Electrocatalytic Oxygen Evolution Reaction

Ya, M., Wang, Y., Wang, J., Gao, G., Zhao, X., Wei, Y., Geng, Z., Li, G., & Li, L. (2023) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.3c04832 · Cited by 41

Origin of Spin‐State Precise Modulation for Enhanced Oxygen Evolution Activity: Effect of Secondary Coordination Sphere

Fang, Z., Chai, M., Lv, Y., Zhao, W., Hou, X., & Hou, Y. (2024) · Advanced Functional Materials · doi:10.1002/adfm.202315039 · Cited by 40

Lowering the Water Oxidation Overpotential by Spin-Crossover in Cobalt Hexacyanoferrate

Hegner, F. S., Galán‐Mascarós, J. R., & López, N. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c00614 · Cited by 29

Crystal facet engineering of perovskite cobaltite with optimized electronic regulation for water splitting

Zhou, Y., Wang, F., Zhen, Y.-N., Nan, J., Dong, B., & Chai, Y. (2022) · Science China Materials · doi:10.1007/s40843-022-2016-5 · Cited by 28

Sulfur Changes the Electrochemical CO2 Reduction Pathway over Cu Electrocatalysts

Liang, S., Xiao, J., Zhang, T., Zheng, Y., Wang, Q., & Liu, B. (2023) · Angewandte Chemie · doi:10.1002/ange.202310740 · Cited by 25

Oxygen reduction reaction at porphyrin-based electrochemical catalysts: Mechanistic effects of pH and spin states studied by density functional theory

Kim, S., & Kim, H. (2017) · Catalysis Today · doi:10.1016/j.cattod.2017.05.007 · Cited by 18

Phase-Transition Engineering with Tuning of Defects in TiO 2 for Highly Efficient Electrochemical Nitrogen Reduction

Ling, Y. H., Feng, Q., Xie, H., Zheng, X., Chen, X., Zou, Z., Liu, A., Tang, J., Li, Y., & Wang, Q. (2023) · ACS Sustainable Chemistry & Engineering · doi:10.1021/acssuschemeng.3c02473 · Cited by 15