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
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
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Article's DOI: 10.1021/jp911283j
Entity: Universitat Rovira i Virgili
Journal publication year: 2010
Publication Type: Journal Publications
Repositori URV