Yuan Lan-Feng, Yang Jinlong, Wang Haiqian, Zeng Changgan, Li Qunxiang, Wang Bing, Hou J G, Zhu Qingshi, Chen D M
Open Laboratory of Bond Selective Chemistry and Structure Research Laboratory, University of Science and Technology of China, Hefei, Anhui 230026, China.
J Am Chem Soc. 2003 Jan 8;125(1):169-72. doi: 10.1021/ja025775h.
Orientationally ordered structures of two-dimensional (2D) C(60) at low temperature have been investigated theoretically and experimentally. Using total energy optimization with a phenomenological potential, we find the ground state is a close packed hexagonal lattice in which all the molecules have the same orientation. Several local minima of the potential energy surface are found to be associated with other 1 x 1 lattices as well as 2 x 2 lattices. The energies of the orientational domain boundaries of the 1x1 lattices are also computed, and two kinds of which yield negative values. A majority of these theoretical findings are confirmed by our low-temperature scanning tunneling microscopy study of a 2D C(60) array supported on a self-assembled monolayer.
