Proceedings of the 2018 3rd International Conference on Automation, Mechanical Control and Computational Engineering (AMCCE 2018)

Atomistic Modeling of Graphene/PANI Nanocomposite

Authors
Zhi Guo, Minhui Pan, Miao Zhang, Ningbo Liao
Corresponding Author
Zhi Guo
Available Online May 2018.
DOI
https://doi.org/10.2991/amcce-18.2018.50How to use a DOI?
Keywords
Graphene/PANI, Nanocomposite, Electronic Property, High Sensitivity, Adsorption
Abstract
Understanding the structure properties of Graphene/PANI are important in developing polyaniline-based materials for different fields. In this study, the electronic property of Graphene/PANI are investigated by density functional theory. Analyses of the band structure and density of states indicated that the Graphene/PANI has excellent conductivity. By molecular dynamics caclulations, the Graphene/PANI exhibit excellent adsorption capacity towards gas molecules. These results imply that the Graphene/PANI is more favorable in detecting gas because of its high sensitivity and adsorption.
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This is an open access article distributed under the CC BY-NC license.

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Proceedings
2018 3rd International Conference on Automation, Mechanical Control and Computational Engineering (AMCCE 2018)
Part of series
Advances in Engineering Research
Publication Date
May 2018
ISBN
978-94-6252-508-5
ISSN
2352-5401
DOI
https://doi.org/10.2991/amcce-18.2018.50How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Zhi Guo
AU  - Minhui Pan
AU  - Miao Zhang
AU  - Ningbo Liao
PY  - 2018/05
DA  - 2018/05
TI  - Atomistic Modeling of Graphene/PANI Nanocomposite
BT  - 2018 3rd International Conference on Automation, Mechanical Control and Computational Engineering (AMCCE 2018)
PB  - Atlantis Press
SN  - 2352-5401
UR  - https://doi.org/10.2991/amcce-18.2018.50
DO  - https://doi.org/10.2991/amcce-18.2018.50
ID  - Guo2018/05
ER  -