Influence of Oxygen Adsorption on Electronic Structure of Iron Phthalocyanine |
B. Białek and P. Brągiel Institute of Physics, Pedagogical University, Al. Armii Krajowej 13/15, 42-200 Częstochowa, Poland |
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Self-consistent field ab initio calculations were performed in order to determine the electronic structure of iron phthalocyanine (FePc) and its changes under interaction with the O2 molecule. The experimental evidence related to O2 adsorption on phthalocyanine plane was confirmed. The possible charge transfer between phthalocyanine and O2 molecule is briefly discussed. Considerable displacement of energy levels in the case of oxygen adsorption on FePc plane has been noticed. |
DOI: 10.12693/APhysPolA.89.443 PACS numbers: 71.10.+x |