Recent Progress in the Development of Screening Methods to Identify Electrode Materials for the Oxygen Evolution Reaction

被引:58
作者
Exner, Kai S. [1 ]
机构
[1] Sofia Univ, Fac Chem & Pharm, Dept Phys Chem, 1 James Bourchier Ave, Sofia 1164, Bulgaria
关键词
kinetic scaling relations; linear free-energy relationships; overpotential-dependent volcano plot; oxygen evolution reaction; unifying approach; volcano plot; FREE-ENERGY DIAGRAM; EVANS-POLANYI RELATION; HYDROGEN EVOLUTION; VOLCANO PLOTS; SCALING RELATIONS; ELECTROCATALYTIC REACTION; EXCHANGE CURRENT; RATIONAL DESIGN; GOOD DESCRIPTOR; REDUCTION;
D O I
10.1002/adfm.202005060
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The oxygen evolution reaction (OER) limits the performance of proton-exchange membrane electrolyzers since substantial overpotentials of several hundred millivolts are required for the formation of gaseous oxygen at the anode to reach satisfying current densities. Theoreticians trace this to the occurrence of a linear scaling relationship between the OH and OOH adsorbates within the electrocatalytic OER cycle, which thermodynamically restrains this four-electron process. While commonly the breaking of this particular scaling relation is pursued as a promising strategy to enhance catalytic turnover, the present progress report summarizes recent trends in the screening of electrode materials for the OER aside this notion. This contains an extension of thermodynamic-based screening methods by including the kinetics, applied overpotential, and the electrochemical-step symmetry index into the analysis, enabling material screening within a unifying methodology, or material screening by molecular orbital principles and band theories. The combination of activity-based screening methods with a proper assessment of catalyst stability may aid the further search of electrode materials for the OER in the future.
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页数:14
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共 123 条
  • [1] Computational catalyst screening: Scaling, bond-order and catalysis
    Abild-Pedersen, Frank
    [J]. CATALYSIS TODAY, 2016, 272 : 6 - 13
  • [2] [Anonymous], 2015, Angew. Chem., DOI DOI 10.1002/ANGE.201504358
  • [3] Trends of epitaxial perovskite oxide films catalyzing the oxygen evolution reaction in alkaline media
    Antipin, Denis
    Risch, Marcel
    [J]. JOURNAL OF PHYSICS-ENERGY, 2020, 2 (03):
  • [4] Arcon I, 1998, J AM CERAM SOC, V81, P222, DOI 10.1111/j.1151-2916.1998.tb02319.x
  • [5] Machine Learning-Guided Approach for Studying Solvation Environments
    Basdogan, Yasemin
    Groenenboom, Mitchell C.
    Henderson, Ethan
    De, Sandip
    Rempe, Susan B.
    Keith, John A.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (01) : 633 - 642
  • [6] A paramedic treatment for modeling explicitly solvated chemical reaction mechanisms
    Basdogan, Yasemin
    Keith, John A.
    [J]. CHEMICAL SCIENCE, 2018, 9 (24) : 5341 - 5346
  • [7] Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
    Birdja, Yuvraj Y.
    Perez-Gallent, Elena
    Figueiredo, Marta C.
    Gottle, Adrien J.
    Calle-Vallejo, Federico
    Koper, Marc T. M.
    [J]. NATURE ENERGY, 2019, 4 (09) : 732 - 745
  • [8] The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis
    Bligaard, T
    Norskov, JK
    Dahl, S
    Matthiesen, J
    Christensen, CH
    Sehested, J
    [J]. JOURNAL OF CATALYSIS, 2004, 224 (01) : 206 - 217
  • [9] The origin of ideas on a Hydrogen Economy and its solution to the decay of the environment
    Bockris, JOM
    [J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2002, 27 (7-8) : 731 - 740
  • [10] A New Type of Scaling Relations to Assess the Accuracy of Computational Predictions of Catalytic Activities Applied to the Oxygen Evolution Reaction
    Briquet, Ludovic G. V.
    Sarwar, Misbah
    Mugo, Jane
    Jones, Glenn
    Calle-Vallejo, Federico
    [J]. CHEMCATCHEM, 2017, 9 (07) : 1261 - 1268