Catalysis

Reference electrode

Electrolyte

Physical chemistry

Inorganic chemistry

Engineering

Chemical engineering

Oxygen evolution

Selectivity

Reversible hydrogen electrode

Electrode

Organic chemistry

Protonation

Crystallography

Faraday efficiency

Hydrogen peroxide

Chemistry

Materials science

Electrochemistry

Oxygen

Electrocatalyst

Advanced Functional Materials

Hydrogen peroxide is a highly valuable chemical, and electrocatalytic oxygen reduction towards H 2 O 2 offers an alternative method for safe on‐site applications. Generally, low‐cost hematite (α‐Fe 2 O 3 ) is not recognized as an efficient electrocatalyst because of its inert nature, but it is herein reported that α‐Fe 2 O 3 can be endowed with high catalytic activity and selectivity via the engineering of facets and oxygen vacancies. Density‐functional theory (DFT)calculations predict that the {001} facet is intrinsically selective for H 2 O 2 production, and that oxygen vacancies can trigger the high activity, providing sites for O 2 adsorption and protonation, stabilizing the *OOH intermediate, and preventing cleavage of the OO bond. The synthesized oxygen‐defective α‐Fe 2 O 3 single crystals with exposed {001} facets achieve high selectivities for H 2 O 2 of &gt;90%, &gt;88%, and &gt;95% in weakly acidic, neutral, and alkaline electrolytes, respectively, and the H 2 O 2 production rate reaches 454 mmol g...

Engineering Facets and Oxygen Vacancies over Hematite Single Crystal for Intensified Electrocatalytic H<sub>2</sub>O<sub>2</sub> Production

Engineering Facets and Oxygen Vacancies over Hematite Single Crystal for Intensified Electrocatalytic H2O2 Production

Engineering Facets and Oxygen Vacancies over Hematite Single Crystal for Intensified Electrocatalytic H₂O₂ Production