Author, as appears in the article.: Roldán A; Novell G; Ricart J; Illas F

Department: Química Física i Inorgànica

URV's Author/s: Ricart Pla, Jose Manuel

Keywords: Wave basis-set Total-energy calculations Thermal-stability Support Selective oxidation Saddle-points Gold nanoparticles Elastic band method Chemoselective hydrogenation Active-sites

Thematic Areas: Surfaces, coatings and films Química Physical and theoretical chemistry Nanoscience and nanotechnology Nanoscience & nanotechnology Medicina ii Medicina i Materials science, multidisciplinary Materiais Interdisciplinar General energy Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Engenharias i Energy (miscellaneous) Energy (all) Electronic, optical and magnetic materials Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Chemistry, physical Biotecnología Biodiversidade Astronomia / física

ISSN: 19327447

Author's mail: josep.ricart@urv.cat

Author identifier: 0000-0002-2610-5535

Record's date: 2023-02-22

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Journal Of Physical Chemistry c. 114 (11): 5101-5106

APA: Roldán A; Novell G; Ricart J; Illas F (2010). Theoretical simulation of temperature programmed desorption of molecular oxygen on isolated au nanoparticles from density functional calculations and microkinetics model. Journal Of Physical Chemistry c, 114(11), 5101-5106. DOI: 10.1021/jp911283j

Article's DOI: 10.1021/jp911283j

Entity: Universitat Rovira i Virgili

Journal publication year: 2010

Publication Type: Journal Publications