Articles producció científicaQuímica Física i Inorgànica

Theoretical simulation of temperature programmed desorption of molecular oxygen on isolated au nanoparticles from density functional calculations and microkinetics model

  • Identification data

    Identifier:  imarina:3399022
    Authors:  Roldán, A; Novell, G; Ricart, JM; Illas, F
  • Others:

    APA: Roldán, A; Novell, G; Ricart, JM; 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
    Paper original source: Journal Of Physical Chemistry c. 114 (11): 5101-5106
    Article's DOI: 10.1021/jp911283j
    Journal publication year: 2010-03-25
    Entity: Universitat Rovira i Virgili
    Record's date: 2026-05-09
    URV's Author/s: Ricart Pla, Jose Manuel
    Department: Química Física i Inorgànica
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Publication Type: Journal Publications
    ISSN: 19327447
    Author, as appears in the article.: Roldán, A; Novell, G; Ricart, JM; Illas, F
    Thematic Areas: Surfaces, coatings and films, Physical and theoretical chemistry, Nanoscience and nanotechnology, Nanoscience & nanotechnology, Materials science, multidisciplinary, General energy, Energy (miscellaneous), Energy (all), Electronic, optical and magnetic materials, Chemistry, physical, Biotecnología
    Author's mail: josep.ricart@urv.cat, josep.ricart@urv.cat
  • Keywords:

    Wave basis-set
    Total-energy calculations
    Thermal-stability
    Support
    Selective oxidation
    Saddle-points
    Gold nanoparticles
    Elastic band method
    Chemoselective hydrogenation
    Active-sites
    Chemistry
    Physical
    Electronic
    Optical and Magnetic Materials
    Energy (Miscellaneous)
    Materials Science
    Multidisciplinary
    Nanoscience & Nanotechnology
    Nanoscience and Nanotechnology
    Physical and Theoretical Chemistry
    Surfaces
    Coatings and Films
    General energy
    Energy (all)
    Biotecnología
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