Work

Atomistic Modeling of Graphene/PANI Nanocomposite

Year: 2018

Type: conference-paper

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.

Source: International Conference on Automation, Mechanical Control and Computational Engineering (AMCCE)

DOI: 10.2991/amcce-18.2018.50

Authors: Zhi Guo, Minhui Pan, Miao Zhang, Ningbo Liao

Institution: Wenzhou University

Language: English

Topic: Conducting polymers and applications

Subfield: Polymers and Plastics

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funder: National Natural Science Foundation of China

Award: G770741760