Cation mono- and co-doped anatase TiO$_2$ nanotubes: An {\em ab initio} investigation of electronic and optical properties
Mohamed M. Fadlallah; Ulrich Eckern · 2017 · arXiv
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
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Abstract (excerpt)
The structural, electronic, and optical properties of metal (Si, Ge, Sn, and Pb) mono- and co-doped anatase TiO$_{2}$ nanotubes are investigated, in order to elucidate their potential for photocatalytic applications. It is found that Si doped TiO$_{2}$ nanotubes are more stable than those doped with Ge, Sn, or Pb. All dopants lower the band gap, except the (Ge, Sn) co-doped structure, the decrease depending on the concentration and the type of dopant. Correspondingly, a redshift in the optical properties for all kinds of dopings is obtained. Even though a Pb mono- and co-doped TiO$_{2}$ nanotu
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Metadata source: arXiv