2008/04/29 by Woon Ih Choi, Jisoon Ihm, Gunn Kim · 1 citation
Chemistry · Materials Science · Physics and Astronomy · #Atom (system on chip) #Boron and Carbon Nanomaterials Research #Caesium #Carbon Nanotubes in Composites #Carbon nanotube #Carbon nanotube quantum dot #Chemical physics #Chemistry #Condensed matter physics #Density of states #Dopant #Doping #Electron #Electronic band structure #Electronic structure #Fermi level #Graphene research and applications #Inorganic chemistry #Materials science #Molecular physics #Nanotechnology #Nanotube #Optoelectronics #Physics #Trimer #Valence (chemistry) #cond-mat.mtrl-sci
paper · pdf · doi:10.1063/1.2929381
Applied Physics Letters (in press), 3 color figures
arxiv created 2008/04/29 · openalex publication_date 2008/05/12 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We present the first-principles study of effects of the charge dopants such as cesium and iodine encapsulated on the electronic structure of carbon nanotubes (CNTs). An encapsulated cesium atom donates an electron to the nanotube and produces donorlike states below the conduction bands. In contrast, an iodine trimer (I3) accepts an electron from the nanotube and produces an acceptorlike state above the valence band maximum. We find that a Cs atom inside a metallic armchair CNT gives rise to spatial oscillations of the density of states near the Fermi level.