Structure and reactivity of zero-, two- and three-dimensional Pd supported on SrTiO3(001)

Autor:	Donald E Ellis, Michael J. Bedzyk, S.E. Stoltz
Rok vydání:	2014
Předmět:	Materials science Substrate (chemistry) Nanoparticle Surfaces and Interfaces Condensed Matter Physics Small molecule Surfaces Coatings and Films Crystallography Adsorption Planar Computational chemistry Materials Chemistry Particle Reactivity (chemistry) Density functional theory
Zdroj:	Surface Science. 630:46-63
ISSN:	0039-6028
Popis:	Interactions of Pd atoms, films and nanoparticles with a SrTiO3(001) substrate are studied via first principles Density Functional Theory. Effects of the substrate upon structural, electronic and chemical properties of the supported Pd are considered. By comparison of different experimentally observed particle shapes and orientation, and with atomic and planar Pd adsorbates, some detailed understanding is obtained about particle–support interactions. Adsorption of atoms (H, C, O) and small molecules (OH, CO, CH3) is used as a probe of chemical activity of different faces, edges and vertices of the particles.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::504dea9299b64559ef27d608a273ff9b https://doi.org/10.1016/j.susc.2014.06.018 Zobrazit plný text záznamu Full Text from ScienceDirect