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Table 2 Calculated adsorption energy, charge transfer, and binding distance of (1 0 1) defect surface

From: Preparation and Application of TiO2 Nanotube Array Gas Sensor for SF6-Insulated Equipment Detection: a Review

Surface

(1 0 1) defect surface

Structure

TiO2 (1 0 1)

SO2 (b)

SOF2 (c)

SOF2 (d)

SO2F2 (e)

SO2F2 (f)

E a (eV)

\

−2.150

−2.095

−3.037

−4.356

−4.686

Q (e)

\

−0.699

−0.183

−0.734

−0.978

−0.877

d (Å)

\

1.976

1.790

1.670

1.869

1.794

E g (eV)

1.888

1.524

1.250

1.283

1.932

1.935

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