First-principles calculations of phosphorus-doped SnO2 transparent conducting oxide: Structural, electronic, and electrical properties

Mondaca, F.; Calderón, Francisco García; Conejeros, Sergio; Mtz-Enríquez, A.I.

doi:10.1016/j.commatsci.2022.111877

Cited by 5 publications

(1 citation statement)

References 48 publications

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“…The highly curved conduction band implies a small effective mass of electrons [53] [54], as can be seen from the comparison of the degree of conduction band curvature in figures 1(a) and (b), the doping of Nb has few perturbations on the CBM, and the electrons' effective mass is similar to that of the undoped case [55]. The electron mobility for Nbdoped SnO 2 is 25 cm 2 V −1 s −1 [56].…”

Section: Conductivity Of Nb-doped Snomentioning

confidence: 96%

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂

Wang,

Kang,

Chen

et al. 2024

J. Phys.: Condens. Matter

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Based on the density functional theory, the defective band structures (DBSs), ionization energy and formation energy for Niobium (Nb), Molybdenum (Mo) and Tungsten (W)-doped SnO2 are calculated. The DBSs show Nb, Mo and W substituting Sn (labeled as NbSn, MoSn and WSn) could form the localized impurity states which are above the conduction band minimum (CBM). These characteristics can be attributed to the energy of dopants′ d-orbitals are much higher than that of Sn-s and -d orbital as well as O-2p orbitals, and the dopants with their neighboring atoms would form the non-bonding impurity states. The DBSs confirm NbSn, MoSn and WSn are typical n-type defects in SnO2. The ionization energies ε(0/+) for NbSn, MoSn and WSn are higher than 0.22 eV above CBM, indicating these defects could be fully ionized. We find the NbO and MoO3 are promising dopant sources, as the thermodynamic equilibrium fabrication scheme is considered. Taking Nb-doped SnO2 as an example, we find a few NbSn could induce high conductivity (541 S cm-1). These results suggest that SnO2 containing NbSn, MoSn and WSn are promising n-type semiconductors. Our findings would provide a better understanding of the n-type properties in Nb, Mo and W-doped SnO2.

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Section: Conductivity Of Nb-doped Snomentioning

confidence: 96%

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂

Wang,

Kang,

Chen

et al. 2024

J. Phys.: Condens. Matter

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Synthesis and Characterization of Al-Doped SnO2 Semiconducting Thin Films on Glass Substrate by Sol–Gel Technique for Gas Sensors in Aerospace Applications

Bay,

Celik

2024

Arab J Sci Eng

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Efficient and durable iridium-doped SnO2 anode for reactive chlorine species-mediated urine wastewater treatment

Hong,

Choi,

Thi Yen Phan

et al. 2024

Chemical Engineering Journal

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First-principles calculations of phosphorus-doped SnO2 transparent conducting oxide: Structural, electronic, and electrical properties

Cited by 5 publications

References 48 publications

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂

Synthesis and Characterization of Al-Doped SnO2 Semiconducting Thin Films on Glass Substrate by Sol–Gel Technique for Gas Sensors in Aerospace Applications

Efficient and durable iridium-doped SnO2 anode for reactive chlorine species-mediated urine wastewater treatment

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First-principles calculations of phosphorus-doped SnO2 transparent conducting oxide: Structural, electronic, and electrical properties

Cited by 5 publications

References 48 publications

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO2

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO2

Synthesis and Characterization of Al-Doped SnO2 Semiconducting Thin Films on Glass Substrate by Sol–Gel Technique for Gas Sensors in Aerospace Applications

Efficient and durable iridium-doped SnO2 anode for reactive chlorine species-mediated urine wastewater treatment

Contact Info

Product

Resources

About

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂

Understanding the role of Niobium, Molybdenum and Tungsten in realizing of the transparent n-type SnO₂