Spanning the "parameter space" of chemical vapor deposition graphene growth with quantum chemical simulations

- Page, Alister J., Mitchell, Izaac, Li, Hai-Bei, Wang, Ying, Jiao, Meng-gai, Irle, Stephan, Morokuma, Keiji

Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations

- Wang, Ying, Page, Alister J., Li, Hai-Bei, Qian, Hu-Jun, Jiao, Meng-gai, Wu, Zhi-Jian, Morokuma, Keiji, Irle, Stephan