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Author Katoch, Neha ♦ Kapoor, Pooja ♦ Sharma, Munish ♦ Ahluwalia, P. K. ♦ Kumar, Ashok
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword NANOSCIENCE AND NANOTECHNOLOGY ♦ ADSORPTION ♦ BENZENE ♦ COMPUTERIZED SIMULATION ♦ CONFIGURATION ♦ DENSITY ♦ DENSITY FUNCTIONAL METHOD ♦ ELECTRIC CONDUCTIVITY ♦ GOLD ♦ LAYERS ♦ MOLECULES ♦ NANOSTRUCTURES ♦ SENSORS ♦ STABILITY
Abstract We report stability and electronic properties of benzene molecule adsorbed on the Au atomic layer within the framework of density function theory (DFT). Horizontal configuration of benzene on the top site of Au monolayer prefers energetically over other studied configurations. On the adsorption of benzene, the ballistic conductance of Au monolayer is found to decrease from 4G{sub 0} to 2G{sub 0} suggesting its applications for the fabrications of organic sensor devices based on the Au atomic layers.
ISSN 0094243X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-23
Publisher Place United States
Volume Number 1731
Issue Number 1


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