Journal
CHEMICAL PHYSICS LETTERS
Volume 516, Issue 1-3, Pages 88-91Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2011.09.060
Keywords
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Funding
- National Natural Science Foundation of China [11074017]
- IHLB [PHR201007101]
- Beijing Nova Program [2008B10]
- Beijing Natural Science Foundation [1102006]
- Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry
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The work function modulations of AuCl4 -graphene system have been theoretically investigated. The calculated results of work function modulations are in agreement with the recent experiment [ACS Nano, 4(5) (2010) 2689]. However, the theoretical works are lack for revealing the mechanism of the work function modulation in AuCl4 -graphene system. Our simulation reveals the work function can be modulated by the adsorbed concentration. It should be originated from the Fermi level shifting and the emergence of charge redistribution. The behavior of charge redistribution can result in the enhancement of the surface dipole and further the modulation of the work function. (C) 2011 Elsevier B.V. All rights reserved.
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