Unusual Changes in Electronic Band-Edge Energies of the Nanostructured Transparent n-Type Semiconductor Zr-Doped Anatase TiO2 (Ti1-xZrxO2; X <0.3)

Daniel G. Mieritz, Adèle Renaud, Dong Kyun Seo

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

By the establishment of highly controllable synthetic routes, electronic band-edge energies of the n-type transparent semiconductor Zr-doped anatase TiO2 have been studied holistically for the first time up to 30 atom % Zr, employing powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, nitrogen gas sorption measurements, UV/vis spectroscopies, and Mott-Schottky measurements. The materials were produced through a sol-gel synthetic procedure that ensures good compositional homogeneity of the materials, while introducing nanoporosity in the structure, by achieving a mild calcination condition. Vegard's law was discovered among the homogeneous samples, and correlations were established between the chemical compositions and optical and electronic properties of the materials. Up to 20% Zr doping, the optical energy gap increases to 3.29 eV (vs 3.19 eV for TiO2), and the absolute conduction band-edge energy increases to -3.90 eV (vs -4.14 eV). The energy changes of the conduction band edge are more drastic than what is expected from the average electronegativities of the compounds, which may be due to the unnatural coordination environment around Zr in the anatase phase.

Original languageEnglish
Pages (from-to)6574-6585
Number of pages12
JournalInorganic Chemistry
Volume55
Issue number13
DOIs
Publication statusPublished - Jul 5 2016

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n-type semiconductors
anatase
Semiconductor materials
Conduction bands
conduction bands
electronics
Electronegativity
Ultraviolet spectroscopy
Electronic properties
Calcination
roasting
X ray powder diffraction
sorption
homogeneity
Sol-gels
energy
Sorption
chemical composition
Energy gap
Nitrogen

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Unusual Changes in Electronic Band-Edge Energies of the Nanostructured Transparent n-Type Semiconductor Zr-Doped Anatase TiO2 (Ti1-xZrxO2; X <0.3). / Mieritz, Daniel G.; Renaud, Adèle; Seo, Dong Kyun.

In: Inorganic Chemistry, Vol. 55, No. 13, 05.07.2016, p. 6574-6585.

Research output: Contribution to journalArticle

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