Work

Surface morphology controls water dissociation on hydrated IrO 2 nanoparticles

Year: 2021

Type: article

Abstract: O interaction at equatorial vacant sites is weaker and thus the relative stability of molecular and dissociated forms becomes similar. Hydrogen bonding increases adsorption energy and favors water dissociation. Thus, tip and corner sites of the nanoparticle, with no oxygen bridge atoms nearby, exhibit the smallest adsorption energies and a preference for the molecular form. Overall, the presence of rather isolated tip and corner sites in the nanoparticle leads to lower adsorption energies and a smaller degree of water dissociation when compared with extended surfaces.

Source: Nanoscale

DOI: 10.1039/d1nr03592d

Authors: Danilo González, Mariona Sodupe, Luis Rodríguez-Santiago, Xavier Solans-Monfort

Institution: Universitat Autònoma de Barcelona

Language: English

Topic: Electrocatalysts for Energy Conversion

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

Open Access status: green

Funders: Generalitat de Catalunya, Ministerio de Ciencia e Innovación

Awards: G5805502524, G6484851102, G687303828, G8623400802