Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments

Author:

Castelli Ivano E.1ORCID,Man Isabela-Costinela23,Soriga Stefan-Gabriel4,Parvulescu Vasile2,Halck Niels Bendtsen5,Rossmeisl Jan1

Affiliation:

1. Nano-Science Center, Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen, Denmark

2. Faculty of Chemistry, Department of Organic Chemistry, Biochemistry and Catalysis, University of Bucharest, 4-12 Regina Elisabeta Av., S3, RO-030018 Bucharest, Romania

3. “C.D. Nenitzescu” Center of Organic Chemistry, Romanian Academy, 202B Spl. Independentei, RO-060023 Bucharest, Romania

4. Centre for Technology Transfer in the Process Industries, University Politehnica of Bucharest, 1, Gh. Polizu Street, Building A, Room A056, RO-011061 Bucharest, Romania

5. Department of Energy Conversion and Storage, Technical University of Denmark, Building 309, DK-2800 Kgs. Lyngby, Denmark

Funder

Consiliul National al Cercetarii Stiintifice

Carlsbergfondet

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

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