20-22 May 2015
Asia/Bangkok timezone
The Centennial Celebration of General Relativity Theory and 80 Years of Thai Physics Graduate

Electronic band structure of Hydrazine-water doped Single-Walled Carbon Nanotubes as n-Type Semiconductor

21 May 2015, 08:00
3h
Board: CON-13
Poster presentation Condensed Matter Physics Poster-2

Speaker

Wutthisak Prachamon (School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand)

Description

We have studied the electronic band structure of single-walled carbon nanotubes (SWCNTs), (8,0) 3 primitive cells 96 carbon (C) atoms doped with hydrazine (N${}_2$H${}_4$) and water (H${}_2$O). Van der Waals corrected density functional theory calculations using plane wave approach with periodic boundary conditions were carried out for the adsorption of the intermolecular interaction. The results indicate that hydrazine physisorbs to the surface of SWCNTs and carbon atoms still retains the formal sp2 hybridization. Furthermore, the electronic structures and Bader charge analysis of the considered complex reveal the band gap of intrinsic semiconductor changed from 0.6 to 0.4 eV, as n-type semiconductor. The configuration of hydrazine and water, hydrogen bonding network supported, are important key to occur donor state in physisorption doping process.

Primary author

Dr sittipong KOMIN (Department of Physics, Faculty of Science, Ubonratchathani University, Ubon Ratchathani 34190, Thailand)

Co-authors

Wutthisak Prachamon (School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand) Prof. sukit LIMPIJUMNONG (School of Physics, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand)

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