Browsing Institutt for kjemisk prosessteknologi by Author "Ebadi, Mahsa"

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Structural and electronic properties of the Ptn–PAH complex (n = 1, 2) from density functional calculations

Mahmoodinia, Mehdi; Ebadi, Mahsa; Åstrand, Per-Olof; Chen, De; Cheng, Hong-ye; Zhu, Yi-An (Journal article, 2014)

A detailed density functional study of the Pt atom and the Pt dimer adsorption on a polyaromatic hydrocarbon (PAH) is presented. The preferred adsorption site for a Pt atom is confirmed to be the bridge site. Upon adsorption ...