Organic chemistry

Steric effects

Oxygen atom

Atom (system on chip)

Stereochemistry

Electron transfer

Adsorption

Catalysis

Computational chemistry

Physical chemistry

Embedded system

Chemical physics

Chemistry

Molecule

Computer science

Electronic effect

Iridium

Oxygen

Photochemistry

Electronic structure

Journal of the American Chemical Society

The two-dimensional surface or one-dimensional interface of heterogeneous catalysts is essential to determine the adsorption strengths and configurations of the reaction intermediates for desired activities. Recently, the development of single-atom catalysts has enabled an atomic-level understanding of catalytic processes. However, it remains obscure whether the conventional concept and mechanism of one-dimensional interface are applicable to zero-dimensional single atoms. In this work, we arranged the locations of single atoms to explore their interfacial interactions for improved oxygen evolution. When iridium single atoms were confined into the lattice of CoOOH, efficient electron transfer between Ir and Co tuned the adsorption strength of oxygenated intermediates. In contrast, atomic iridium species anchored on the surface of CoOOH induced inappreciable modification in electronic structures, whereas steric interactions with key intermediates at its Ir-OH-Co interface played a primary role in reducing its energy barrier toward oxygen evolution.

Tuning the Electronic and Steric Interaction at the Atomic Interface for Enhanced Oxygen Evolution