I need to construct a nanocomposite 1D bulk material on graphene for its DFT study. Can anyone suggest some reference papers on DFT study on how to construct a 1D bulk material and graphene nanocomposite?
Ponniah Vajeeston
"Tuning the electronic properties of graphene-metal oxide nanocomposites: A DFT study" by X. Li and Y. Li, published in Applied Physics Letters (2015) "Structural and electronic properties of graphene–ZnO nanocomposites: A DFT study" by S. Mishra and R.K. Tiwary, published in Journal of Applied Physics (2015) "The effect of nitrogen doping on the mechanical and electronic properties of graphene–metal oxide nanocomposites: A DFT study" by X. Li, Y. Li, and Q. Lu, published in Journal of Applied Physics (2016) "Graphene-based nanocomposites: A first-principles study" by A. K. Singh and S. K. Pandey, published in Journal of Physics: Condensed Matter (2016) "Structural, mechanical, and electronic properties of graphene-semiconductor nanocomposites: A DFT study" by Y. Zhang, Y. Wang, and X. Li, published in Journal of Applied Physics (2017)
There are a number of recent papers that have used density functional theory (DFT) to study the electronic and mechanical properties of 1D bulk materials on graphene nanocomposites. Here are a few examples:
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