Atomistic Modeling of Graphene/PANI Nanocomposite

DOI

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.

Copyright

© 2018, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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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  - Proceedings of the 2018 3rd International Conference on Automation, Mechanical Control and Computational Engineering (AMCCE 2018)
PB  - Atlantis Press
SP  - 288
EP  - 292
SN  - 2352-5401
UR  - https://doi.org/10.2991/amcce-18.2018.50
DO  - 10.2991/amcce-18.2018.50
ID  - Guo2018/05
ER  -