Supported by the Key Program of Natural Science of Tianjin, China(No. 13JCZDJC26800), the National Natural Science Foundation of China(Nos.21503122, 21346002), the Shanxi Province Science Foundation for Youths, China(No.2014021016-2), the Scientific and Technological Programs in Shanxi Province, China(No.2015031017) and the Foundation of Key Laboratory of Advanced Energy Materials Chemistry of Ministry of Education of China.
Periodic density functional theory(DFT) calculations are presented to describe the adsorption and decomposition of CH3OH on Ru(0001) surfaces with different coverages, including p(3 ×2), p(2×2), and p(2× 1...
supported by the National Basic Research Program of China(Grant Nos.2013CBA01600 and 2011CB932700);the National Natural Science Foundation of China(Grant Nos.61222112 and 11334006)
High quality sub-monolayer, monolayer, and bilayer graphene were grown on Ru(0001). For the sub-monolayer graphene, the size of graphene islands with zigzag edges can be controlled by the dose of ethylene exposure. ...
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.
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 funct...
Project supported by the National Natural Science Foundation of China (Grant No. 10874219), the National Basic Research Program of China (Grant Nos. 2011CB921702 and 2011CB808401), and the Shanghai Supercomputing Center, China.
We calculate the configurations, electronic structures, vibrational properties at the coronene/Ru(0001) interface, and adsorption of a single Pt atom on coronene/Ru(0001) based on density functional theory calcula...
Supported by the Natural Science Foundation of Shandong Province,China(No.Y2006B29)
The adsorptions of nitrogen atoms on Ru(0001), (1010) low index surfaces and (1120), (1121) stepped surfaces were investigated by the five-parameter Morse potential(5-MP) method in details, Calculated result...
Supported by the National Natural Science Foundation of China (Grant Nos. 20603037, 20733008 and 20873143);Major State Basic Research Development Program of China (Grant No: 2007CB815205);One Hundred Talents Project of Chinese Academy of Sciences
Monolayer graphene was epitaxially grown on Ru(0001) through exposure of the Ru(0001) to ethylene at room temperature followed by annealing in ultrahigh vacuum at elevated temperatures. The resulting graphene structur...