Phenol dissociation on pristine and defective graphene

• Main Authors: Widjaja, Hantarto, Oluwoye, Ibukun, Altarawneh, Mohammednoor, Hamra, A.A.B., Lim, Hong Ngee, Huang, Nay Ming, Yin, Chun Yang, Jiang, Zhong Tao
• Format: Article
• Published: Elsevier 2017
• Subjects: Q Science (General); QC Physics; QD Chemistry
• Online Access: http://eprints.um.edu.my/22806/; https://doi.org/10.1016/j.susc.2016.10.010

Phenol (C6H5O‒H) dissociation on both pristine and defective graphene sheets in terms of associated enthalpic requirements of the reaction channels was investigated. Here, we considered three common types of defective graphene, namely, Stone-Wales, monovacancy and divacancy configurations. Theoretic...