A DFT investigation of CO adsorption on VIIIB transition metal-doped graphene sheets

• Published in: Superlattices and microstructures Vol. 67; pp. 110 - 117
• Main Authors: Wanno, Banchob, Tabtimsai, Chanukorn
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.03.2014
• Subjects: Adsorption; Carbon monoxide; CO adsorption; Density functional theory; DFT; Graphene; Graphene sheet; Iron; Mathematical analysis; Metal-doped; Sheet metal; Transition metal; Transition metals; Transition metal; CO adsorption; DFT; Graphene sheet; Metal-doped

Adsorptions of CO on pristine, Fe-, Ru-, Os-, Co-, Rh-, Ir-, Ni-, Pd-, and Pt-doped graphene were theoretical investigated. Transition metal doped graphenes were more highly sensitive to CO adsorption than that of pristine graphene. •Adsorptions of CO on pristine and transition metal doped graphene...