Crystalline Ni₃C as both carbon source and catalyst for graphene nucleation: a QM/MD study
- Creator: Jiao, Menggai , Li, Kai , Guan, Wei , Wang, Ying , Wu, Zhijian , Page, Alister , Morokuma, Keiji
- Resource Type: journal article
- Date: 2015
Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations
- Creator: Li, Hai-Bei , Page, Alister J. , Irle, Stephan , Morokuma, Keiji
- Resource Type: journal article
- Date: 2013