Unfolding adsorption on metal nanoparticles: Connecting stability with catalysis.

ABSTRACT: Metal nanoparticles have received substantial attention in the past decades for their applications in numerous areas, including medicine, catalysis, energy, and the environment. Despite these applications, the fundamentals of adsorption on nanoparticle surfaces as a function of nanoparticle size, shape, metal composition, and type of adsorbate are yet to be found. Herein, we introduce the first universal adsorption model that accounts for detailed nanoparticle structural characteristics, metal composition, and different adsorbates by combining first principles calculations with machine learning. Our model fits a large number of data and accurately predicts adsorption trends on nanoparticles (both monometallic and alloy) that have not been previously seen. In addition to its application pow

SUBMITTER: Dean J 

PROVIDER: S-EPMC6744265 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature