Field emission properties of capped carbon nanotubes doped by alkali metals:a theoretical investigation |
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Authors: | Jin Lei Fu Hong-Gang Xie Ying Yu Hai-Tao |
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Institution: | a. School of Chemical Engineering and Technology, Harbin Institute of Technology, Harbin 150001, China;
b. Key Laboratory of Functional Inorganic Material Chemistry of Ministry of Education, Heilongjiang University, Harbin 150080, China |
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Abstract: | The electronic structures and field emission properties of capped CNT55 systems with or without alkali metal atom adsorption were systematically investigated by density functional theory calculation. The results indicate that the adsorption of alkali metal on the center site of a CNT tip is energetically favorable. In addition, the adsorption energies increase with the introduction of the electric field. The excessive negative charges on CNT tips make electron emittance much easier and result in a decrease in work function. Furthermore, the inducing effect by positively charged alkali metal atoms can be reasonably considered as the dominant reason for the improvement in field emission properties. |
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Keywords: | field emission density functional theory carbon nanotube alkali metal |
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