Effect of adsorbates on field emission from carbon nanotubes |
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Authors: | Maiti A Andzelm J Tanpipat N von Allmen P |
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Institution: | Accelrys Inc., 9685 Scranton Road, San Diego, California 92121, USA. amaiti@accelrys.com |
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Abstract: | Recent experiments indicate that water molecules adsorbed on carbon nanotube tips significantly enhance field-emission current. Through first-principles density-functional theory calculations we show that the water-nanotube interaction is weak in zero electric field. However, under emission conditions large electric field present at the tube tip: (a) increases the binding energy appreciably, thereby stabilizing the adsorbate; and (b) lowers the ionization potential (IP), thereby making it easier to extract electrons. Lowering of IP is enhanced further through the formation of a water cluster on the nanotube tip. |
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