Carbon nanotubes (CNTs) were coated TiO 2 nanoparticles via sol-gel process using titanium tetra-isoproxide Ti[OCH(CH 3 ) 2 ] 4 (TTIP). The structure of TiO 2 /CNT hybrid samples was determined by x-ray diffractometer D5005 (Siemen) with CuKα radiation. Their morphology and sizes were investigated with FE-SEM and HR-TEM, which shows that nanoparticles were coated on CNTs. The UV-vis absorption results indicate interaction between TiO 2 and CNTs, the composite material can absorb at higher

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... ngth and the absorption even covers the whole range of visible region. By investigating different addition ratios of CNT on the photocatalytic activity of TiO 2 /CNTs, we find that the higher ratio in TiO 2 /CNT will decrease the photocatalytic activity. We have calculated the electronic structure of the anatase TiO 2 and single-wall carbon nanotube (SWCNT) by first-principles stimulation. We investigate the property in hybrid structure: molecular and small clusters of TiO 2 adsorbed on SWCNT support using density functional calculation. The energy and charge distribution calculations show that SWCNT can make TiO 2 clusters become more stable in the hybrid system.