Atomistic Modeling of Graphene/PANI Nanocomposite
- 10.2991/amcce-18.2018.50How to use a DOI?
- Graphene/PANI, Nanocomposite, Electronic Property, High Sensitivity, Adsorption
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.
- © 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/).
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 - 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 -