Impact of boron and indium doping on the structural, electronic and optical properties of SnO2

Abstract

Tin dioxide (SnO2), due to its non-toxicity, high stability and electron transport capability represents one of the most utilized metal oxides for many optoelectronic devices such as photocatalytic devices, photovoltaics (PVs) and light-emitting diodes (LEDs). Nevertheless, its wide bandgap reduces its charge carrier mobility and its photocatalytic activity. Doping with various elements is an efficient and low-cost way to decrease SnO2 band gap and maximize the potential for photocatalytic applications. Here, we apply density functional theory (DFT) calculations to examine the effect of p-type doping of SnO2 with boron (B) and indium (In) on its electronic and optical properties. DFT calculations predict the creation of available energy states near the conduction band, when the dopant (B or In) is in interstitial position. In the case of substitutional doping, a significant decrease of the band gap is calculated. We also investigate the effect of doping on the surface sites of SnO2. We find that B incorporation in the (110) does not alter the gap while In causes a considerable decrease. The present work highlights the significance of B and In doping in SnO2 both for solar cells and photocatalytic applications.

Bi-doped SnO2 transparent conducting thin films deposited by spray pyrolysis: structural, electrical, optical, and photo-thermoelectric properties

“…Recently, binary transparent oxides of n-type and p-type TCO materials have been developed such as n-Zn 2 SnO 4 [7,8], n-MgIn 2 O 4 [9], n-CdSb 2 O 6 :Y [10], n-ZnSnO 3 [11], p-CuAlO 2 [12], p-CuGaO 2 [13], p-SrCu 2 O 2 [14], p-ZnO:(Ga, N) [15] and p-NiO : Li [16,17]. Therefore, the use of n-type and p-type TCOs in the fabrication of active elements in optoelectronic devices as transparent p-n junctions is possible [18][19][20][21][22][23][24][25].…”

“…In addition, the new impurities for the study of modi ed properties of tin oxide thin lms such as Al [19,26], Li [20], Co, Ni [21], Cr [22,25], B [23], Cu [24], co-doped P and F and Sb [29][30][31][32][33] have been investigated; but there are few reports in our knowledge on the Bi-doping in SnO 2 transparent conducting thin lms deposited by spray pyrolysis.…”

Bi-Doped SnO2 Transparent Conducting Thin Films Deposited By Spray Pyrolysis: Structural, Electrical, Optical And Photo-Thermoelectric Properties

“…This problem may be related to creating holes in temperature difference more than ΔT = 80K, through oxygen vacancy due to releasing the O − 2 ions at high temperature (See Fig. 9) [22,23]. The highest Seebeck coe cient was obtained equal to 325 µVK − 1 for a prepared lm with x = 0.20.…”

“…Recently, binary transparent oxides of n-type and p-type TCO materials have been developed such as n-Zn 2 SnO 4 [7,8], n-MgIn 2 O 4 [9], n-CdSb 2 O 6 :Y [10], n-ZnSnO 3 [11], p-CuAlO 2 [12], p-CuGaO 2 [13], p-SrCu 2 O 2 [14], p-ZnO:(Ga, N) [15] and p-NiO : Li [16,17]. Therefore, the use of n-type and p-type TCOs in the fabrication of active elements in optoelectronic devices as transparent p-n junctions is possible [18][19][20][21][22][23][24][25].…”

“…In addition, the new impurities for the study of modi ed properties of tin oxide thin lms such as Al [19,26], Li [20], Co, Ni [21], Cr [22,25], B [23], Cu [24], co-doped P and F and Sb [29][30][31][32][33] have been investigated; but there are few reports in our knowledge on the Bi-doping in SnO 2 transparent conducting thin lms deposited by spray pyrolysis.…”