Template-directed assembly of pentacene molecules on epitaxial graphene on Ru（0001）  

作　　者：Haitao Zhou Lizhi Zhang Jinhai Mao Geng Li Yi Zhang Yeliang Wang Shixuan Du Werner A. Hofer Hong-Jun Gao 

机构地区：[1]Institute of Physics, Chinese Academy of Sciences, Belling 100190, China [2]Stephenson Institute for Renewable Energy, University of Liverpool, Liverpool L69 3BX, UK

出　　处：《Nano Research》2013年第2期131-137,共7页纳米研究（英文版）

基　　金：This work was financially supported by the Ministry of Science and Technology （MOST Nos. 2011CB921702 and 2011CB932700）, National Natural Science Foundation of China （NSFC No. 61222112）, Multilevel Molecular Assemblies： Structure, Dynamics, and Functions （TRR61）, Shanghai Supercomputer Center （SSC）, and Chinese Academy of Sciences （CAS） in China. WAH acknowledges support from the UK Car-Parinello consortium, grant No. EP/F037783/1.

摘　　要：The template-directed assembly of planar pentacene molecules on epitaxial graphene grown on Ru（0001） （G/Ru） has been investigated by means of low-temperature scanning tunneling microscopy （STM） and density functional theory （DFT） calculations. STM experiments find that pentacene adopts a highly selective and dispersed growth mode in the initial stage. By using DFT calculations including van der Waals interactions, we find that the configuration with pentacene adsorbed on face-centered cubic （fcc） regions of G/Ru is the most stable one, which accounts for the selective adsorption at low coverage. Moreover, at high coverage, we have successfully controlled the molecular assembly from amorphous, local ordering, to long-range order by optimizing the deposition rate and substrate temperature.

关 键 词：graphene Ru（0001） PENTACENE SELF-ASSEMBLY scanning tunnelingmicroscopy （STM） density functionaltheory （DFT） 

分 类 号：O613.71[理学—无机化学] TB383[理学—化学]