CALCULATION OF ELECTRONIC AND OPTICAL PROPERTIES OF DOPED TITANIUM DIOXIDE NANOSTRUCTURE

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KHALEGHI SHOKOUFEH

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Journal: JOURNAL OF NANOSTRUCTURES Year:2012 | Volume:2 | Issue:2 Page(s): 157-161

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Information Journal Paper

Title

CALCULATION OF ELECTRONIC AND OPTICAL PROPERTIES OF DOPED TITANIUM DIOXIDE NANOSTRUCTURE

Author(s)

KHALEGHI SHOKOUFEH | Issue Writer Certificate

Keywords

TIO2Q2

BAND-GAP ENGINEERINGQ2

ABSORPTION COEFFICIENTQ2

NANOSTRUCTURESQ2

Abstract

By means of first principles calculations we show that both rutile and anatase phases of bulk TiO2 doped by S, Se or Pb can display substantial decreasing in the band gap (up to 50%), while doping by Zr does not sizably affect the band-gap value. Moreover, the absorption edge is shifted (up to 1 eV) to the lower energy range in the case of TiO2 doped by S or Pb that opens a way to enhancing of absorption of sun’s radiation. We also discuss how our findings can improve efficiency of photovoltaic cells and photocatalytic cells for hydrogen generation.

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APA: Copy

KHALEGHI, SHOKOUFEH. (2012). CALCULATION OF ELECTRONIC AND OPTICAL PROPERTIES OF DOPED TITANIUM DIOXIDE NANOSTRUCTURE. JOURNAL OF NANOSTRUCTURES, 2(2), 157-161. SID. https://sid.ir/paper/394154/en

Vancouver: Copy

KHALEGHI SHOKOUFEH. CALCULATION OF ELECTRONIC AND OPTICAL PROPERTIES OF DOPED TITANIUM DIOXIDE NANOSTRUCTURE. JOURNAL OF NANOSTRUCTURES[Internet]. 2012;2(2):157-161. Available from: https://sid.ir/paper/394154/en

IEEE: Copy

SHOKOUFEH KHALEGHI, “CALCULATION OF ELECTRONIC AND OPTICAL PROPERTIES OF DOPED TITANIUM DIOXIDE NANOSTRUCTURE,” JOURNAL OF NANOSTRUCTURES, vol. 2, no. 2, pp. 157–161, 2012, [Online]. Available: https://sid.ir/paper/394154/en

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