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Title: Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer

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.

Authors:
; ; ;  [1];  [2]
  1. Physics Department, Himachal Pradesh University, Shimla, Himachal Pradesh, India 171005 (India)
  2. Center for Physical Sciences, School of Basic and Applied Sciences, Central University of Punjab, Bathinda, India, 151001 (India)
Publication Date:
OSTI Identifier:
22608761
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1731; Journal Issue: 1; Conference: DAE solid state physics symposium 2015, Uttar Pradesh (India), 21-25 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; ADSORPTION; BENZENE; COMPUTERIZED SIMULATION; CONFIGURATION; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; GOLD; LAYERS; MOLECULES; NANOSTRUCTURES; SENSORS; STABILITY

Citation Formats

Katoch, Neha, Kapoor, Pooja, Sharma, Munish, Ahluwalia, P. K., and Kumar, Ashok. Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer. United States: N. p., 2016. Web. doi:10.1063/1.4948003.
Katoch, Neha, Kapoor, Pooja, Sharma, Munish, Ahluwalia, P. K., & Kumar, Ashok. Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer. United States. doi:10.1063/1.4948003.
Katoch, Neha, Kapoor, Pooja, Sharma, Munish, Ahluwalia, P. K., and Kumar, Ashok. Mon . "Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer". United States. doi:10.1063/1.4948003.
@article{osti_22608761,
title = {Stability, structural and electronic properties of benzene molecule adsorbed on free standing Au layer},
author = {Katoch, Neha and Kapoor, Pooja and Sharma, Munish and Ahluwalia, P. K. and Kumar, Ashok},
abstractNote = {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.},
doi = {10.1063/1.4948003},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1731,
place = {United States},
year = {2016},
month = {5}
}