Low coverage palladium adsorption on graphene: first principles study

• Main Authors: Abdullahi, Yusuf Zuntu, Rahman, Md. Mahmudur, Abubakar, Shamsu, Muhida, Rifki, Setiyanto, Henry
• Format: Article
• Language: English
• Published: American Scientific Publishers 2015
• Online Access: http://psasir.upm.edu.my/id/eprint/45363/1/LOW.pdf; http://psasir.upm.edu.my/id/eprint/45363/; https://www.ingentaconnect.com/content/asp/qm/2015/00000004/00000005/art00003

In this paper, we investigate stable geometries, electronic and magnetic properties of low coverage palladium (Pd) atom adsorption on graphene using first principles calculations with the generalized gradient approximation. Calculations show that single Pd atom located at the top of carbon atom is t...