Surface Reactions and Defect Formation in Irradiated Graphene Devices

Author

Puzyrev, Y.S. ; Wang, Bin ; Zhang, E.X. ; Zhang, C.X. ; Newaz, A.K.M. ; Bolotin, K.I. ; Fleetwood, D.M. ; Schrimpf, R.D. ; Pantelides, S.T.

Author_Institution

Dept. of Phys. & Astron., Vanderbilt Univ., Nashville, TN, USA

Volume

59

Issue

6

fYear

2012

Firstpage

3039

Lastpage

3044

Abstract

Quantum mechanical-based kinetic Monte-Carlo calculations (KMC) are used to investigate mechanisms of degradation of graphene devices subjected to 10-keV x-ray irradiation, ozone exposure, and subsequent high-temperature annealing. Using KMC, we monitor the time evolution of defect concentrations on a graphene surface. The degradation mechanism for oxygen exposure and subsequent anneal of graphene surface greatly depends on the temperature and initial concentrations of H and O atoms on the graphene surface. At oxygen surface coverage of ~0.05 and higher, the damage is caused by formation of vacancies due to desorption of CO and CO₂. Hydrogen facilitates the removal of O without introducing vacancies.

Keywords

Monte Carlo methods; X-ray effects; annealing; carbon compounds; desorption; fullerene devices; graphene; nuclear electronics; surface chemistry; vacancies (crystal); C; CO; CO desorption; CO₂; CO₂ desorption; H atoms; O atoms; defect concentrations; defect formation; graphene devices degradation; graphene surface; high-temperature annealing; irradiated graphene devices; oxygen exposure; oxygen surface coverage; ozone exposure; quantum mechanical-based kinetic Monte-Carlo calculations; surface reactions; time evolution monitor; vacancies; x-ray irradiation; Degradation; Density functional theory; Graphene; Monte Carlo methods; Radiation effects; Defect formation; density functional theory (DFT); graphene; irradiation; kinetic Monte-Carlo (KMC);

fLanguage

English

Journal_Title

Nuclear Science, IEEE Transactions on

Publisher

ieee

ISSN

0018-9499

Type

jour

DOI

10.1109/TNS.2012.2224134

Filename

6365414