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The adsorption effect of C₆H₅ on density of states for double wall carbon nanotubes by tight binding model

Fathalian A.^1,2,3

¹Department of Physics, Razi University, Kermanshah, Iran
²Nano Science and Technology Research Center, Razi University, Kermanshah, Iran
³Department of Nano Science, Institute for Studies in Theoretical Physics and Mathematics, Tehran,Iran

Поступила в редакцию: 14 ноября 2011 г.

Выставление онлайн: 20 мая 2012 г.

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A theoretical approach based on a tight-binding model is developed to study the effects of the adsorption of finite concentrations of C₆H₅ gas molecules on double-walled carbon nanotube (DWCNT) electronic properties. To obtain proper hopping integrals and random on-site energies for the case of one molecule adsorption, the local density of states for various hopping integrals and random on-site energies are calculated. Since C₆H₅ molecule is a donor with respect to the carbon nanotubes and their states should appear near the conduction band of the system, effects of various hopping integral deviations and on-site energies for one molecule adsorption are considered to find proper hopping and on-site energies consistent with expected n-type semiconductor. We found that adsorption of C₆H₅ gas molecules could lead to a (8.0)@(20.0) DWCNT n-type semiconductor. The width of impurity adsorbed gas states in the density of states could be controlled by adsorbed gas concentration.

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