Studies of carbon cluster formation mechanism : graphene and transition adatoms

• Main Author: Tang, Kim Sua.
• Other Authors: Su Haibin
• Format: Final Year Project
• Language: English
• Published: 2012
• Subjects: DRNTU::Engineering::Materials::Microelectronics and semiconductor materials
• Online Access: http://hdl.handle.net/10356/49644
• Institution: Nanyang Technological University

The purpose of this project was to investigate the interaction of transition metal adatoms and their effect on graphene via computer simulation. The study is based on the favoured position of the transition metal adatom on the graphene carbon network, looking at parameters such as binding energy, overall energy of the system and the distance of the adatom to the graphene. 13 transition metals were selected for the study, namely: Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Pd, Pt, Cu, Au, Zn. It is determined that the electron configuration of the adatoms play an instrumental role in the various element’s preferred site of adsorption. This study is done due to increasing intereust in graphene and carbon nanotubes’ prominence in electronic devices, their application and transportation of carriers. The results of the study may serve to assist in the future experiments and theoretical research of graphene, adsorption of adatoms and the impact of the preferred locations of the adatoms.