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  1. 1 Acta Physica Polonica A

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  1. 1 1996

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  1. 1 Białek B.

  2. 1 Brągiel P.

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Influence of Oxygen Adsorption on Electronic Structure of Iron Phthalocyanine

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Białek B., Brągiel P.
Acta Physica Polonica A
|
1996
|
vol. 89
|
issue 3
443-449
EN
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 O_{2} molecule. The experimental evidence related to O_{2} adsorption on phthalocyanine plane was confirmed. The possible charge transfer between phthalocyanine and O_{2} molecule is briefly discussed. Considerable displacement of energy levels in the case of oxygen adsorption on FePc plane has been noticed.
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