English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The oxygen evolution reaction (OER) plays a key role in the determination of overall water-splitting rate. Lowering the high overpotential of the OER of transition metal oxides (TMOs), which are used as conventional OER electrocatalysts, has been the focus of many studies. The OER activity of TMOs can be tuned via the strategic formation of a heterostructure with another TMO substrate. We screened 11 rutile-type TMOs (i.e., MO 2 ; M = V, Cr, Mn, Nb, Ru, Rh, Sn, Ta, Os, Ir, and Pt) on a rutile (110) substrate using density functional theory calculations to determine their OER activities. The conventional volcano approach based on simple binding energies of reaction intermediates was implemented; in addition, the electrochemical-step symmetry index was employed to screen heterostructures for use as electrode materials. The results show that RuO 2  and IrO 2  are the most promising catalysts among all candidates. The scaling results provide insights into the intrinsic properties of the heterostructure as well as materials that can be used to lower the overpotential of the OER.

First-Principles Design of Rutile Oxide Heterostructures for Oxygen Evolution Reactions