Metallization of the C-60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations
JOURNAL OF CHEMICAL PHYSICS, cilt.132, sa.23, 2010 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 132 Sayı: 23
- Basım Tarihi: 2010
- Doi Numarası: 10.1063/1.3432778
- Dergi Adı: JOURNAL OF CHEMICAL PHYSICS
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Anahtar Kelimeler: charge transfer states, density functional theory, Fermi level, fullerenes, interface states, monolayers, multilayers, photoelectron spectra, rhodium, surface states, valence bands, ELECTRONIC-PROPERTIES, CHARGE-TRANSFER, C-60 FILMS, SUPERCONDUCTIVITY, PHOTOEMISSION, POTASSIUM, MONOLAYER, PT(111), AL(111), STATES
- Orta Doğu Teknik Üniversitesi Adresli: Evet
Özet
The electronic structure of single and multiple layers of C-60 molecules deposited on a Rh(100) surface is investigated by means of valence photoemission spectroscopy and density functional theory calculations. The binding of the fullerene monolayer to the metal surface yields the appearance of a new state in the valence band spectrum crossing the Fermi level. Insight into the metallization of the metal/fullerene interface is provided by the calculated electronic structure that allows us to correlate the measured interface state with a strong hybridization between the Rh metal states and the highest and lowest molecular orbitals. This results in a net charge transfer of approximate to 0.5e-0.6e from the metal to the p states of the interfacial C atoms. The charge transfer is shown to be very short range, involving only the C atoms bound to the metal. The electronic structure of the second C-60 layer is already insulating and resembles the one measured for C-60 multilayers supported by the same substrate or calculated for fullerenes isolated in vacuum. The discussion of the results in the context of other C-60/metal systems highlights the distinctive electronic properties of the molecule/metal interface determined by the Rh support. (c) 2010 American Institute of Physics. [doi: 10.1063/1.3432778]