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Low-Temperature Orientationally Ordered Structures of Two-Dimensional C₆₀

Lan-Feng Yuan,^† Jinlong Yang,*^†^‡ Haiqian Wang,^‡ Changgan Zeng,^‡ Qunxiang Li,^† Bing Wang,^‡ J. G. Hou,*^†^‡^§ Qingshi Zhu,^† and D. M. Chen^‡^§

Contribution from the Open Laboratory of Bond Selective Chemistry and Structure Research Laboratory, University of Science and Technology of China, Hefei, Anhui 230026, China, International Center for Quantum Structures, Chinese Academy of Sciences, Beijing 10080, China, and The Rowland Institute for Science, Cambridge, Massachusetts 02142

J. Am. Chem. Soc., 2003, 125 (1), pp 169–172

DOI: 10.1021/ja025775h

Publication Date (Web): November 26, 2002

†

Open Laboratory of Bond Selective Chemistry, University of Science and Technology of China.

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

‡

Structure Research Laboratory, University of Science and Technology of China.

Chinese Academy of Sciences.

The Rowland Institute for Science.

, jlyang@ustc.edu.cn and jghou@ustc.edu.cn

Abstract

Orientationally ordered structures of two-dimensional (2D) C₆₀ 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 1×1 lattices as well as 2×2 lattices. The energies of the orientational domain boundaries of the 1×1 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 C₆₀ array supported on a self-assembled monolayer.

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Published In Issue January 08, 2003
Received January 31, 2002

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Article

Low-Temperature Orientationally Ordered Structures of Two-Dimensional C₆₀