Effect of halogens doping on transparent conducting properties of SnO2 rutile: an ab initio investigation

Slassi, Amine; Hammi, Maryama; Oumekloul, Z.; Nid-bahami, A.; Arejdal, M.; Ziat, Younes; Rhazouani, O. El

doi:10.1007/s11082-017-1262-6

Cited by 12 publications

(6 citation statements)

References 28 publications

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“…Furthermore, the lower segment of the CB was predominantly characterized by the 4s-Sn orbital at the G -point. 182…”

Section: Role Of Sn In the Etlmentioning

confidence: 99%

“…Furthermore, the lower segment of the CB was predominantly characterized by the 4s-Sn orbital at the G-point. 182 2.5. Recent progress of SnO 2 as an ETL Previously, attempts have been made to utilize SnO 2 in thirdgeneration solar cells.…”

Section: Electronic Propertiesmentioning

confidence: 99%

Section: Electronic Propertiesmentioning

confidence: 99%

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Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Shaikh,

Yadav,

Srivastava

et al. 2024

Energy Adv.

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“…Furthermore, the lower segment of the CB was predominantly characterized by the 4s-Sn orbital at the G -point. 182…”

Section: Role Of Sn In the Etlmentioning

confidence: 99%

Section: Electronic Propertiesmentioning

confidence: 99%

See 1 more Smart Citation

Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Shaikh,

Yadav,

Srivastava

et al. 2024

Energy Adv.

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“… ( a ) Molecular-orbital bonding structure, 2010 Elsevier [ 70 ], partial and total density of states calculated by ( b ) generalized gradient approximation by Perdrew et al [ 71 ] (GGAP–PBE) and ( c ) Tran and Blata [ 72 ] modified Becke and Johnson [ 73 ] potential (Tb–mBJ), 2017 Springer [ 74 ] for rutile SnO 2 . …”

Section: Figurementioning

confidence: 99%

Tailoring SnO2 Defect States and Structure: Reviewing Bottom-Up Approaches to Control Size, Morphology, Electronic and Electrochemical Properties for Application in Batteries

Ponte

Rauwel

2023

Materials

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Tin oxide (SnO2) is a versatile n-type semiconductor with a wide bandgap of 3.6 eV that varies as a function of its polymorph, i.e., rutile, cubic or orthorhombic. In this review, we survey the crystal and electronic structures, bandgap and defect states of SnO2. Subsequently, the significance of the defect states on the optical properties of SnO2 is overviewed. Furthermore, we examine the influence of growth methods on the morphology and phase stabilization of SnO2 for both thin-film deposition and nanoparticle synthesis. In general, thin-film growth techniques allow the stabilization of high-pressure SnO2 phases via substrate-induced strain or doping. On the other hand, sol–gel synthesis allows precipitating rutile-SnO2 nanostructures with high specific surfaces. These nanostructures display interesting electrochemical properties that are systematically examined in terms of their applicability to Li-ion battery anodes. Finally, the outlook provides the perspectives of SnO2 as a candidate material for Li-ion batteries, while addressing its sustainability.

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“…The F doping resulted in a successful structural transition from P-type to n-type. Slassi [21] used first principles to research the influence of halogen doping on the electronic structure of SnO2. It was shown that the thermodynamic stability of SnO2 was improved after F doping.…”

Section: Introductionmentioning

confidence: 99%

Biaxial strain modulation of the optoelectronic properties of F-doped defective monolayer SnS₂

Ma,

Liu,

Yang

et al. 2024

Phys. Scr.

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The first principles approach calculates the geometrical structure, stability, and optoelectronic properties of F-atom doped S vacancy defective SnS2 systems under biaxial tensile and compressive deformation. The calculations show that all systems can be formed stably, and defects and F doping cause a tiny increase in the average bond length of the systems. The formation of defects converts an indirect bandgap system into a direct one. Substitutional doping of F atoms transforms the SnS2 structure into a p-type semiconductor. The doped system's valence band mainly originates from S-3p orbitals, Sn-5p orbitals, and F-2p orbitals. The conduction bands mainly originate from the S-3p, Sn-5s, and F-2p orbitals. The absorption and reflection peaks of the doped system with applied strain are blueshifted at the maximum peak. The biaxial compressive strain increases the band gap and decreases the doped system's refractive index and extinction coefficient. The biaxial tensile strain increases the band gap of the doped system, the hybridization of the valence band of the system is enhanced, the conductivity of the real part of the complex dielectric function of the system is increased, and the refractive index of the system is elevated. The biaxial stretching strain can better change the sensitivity of the F-doped system to visible light.

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Effect of halogens doping on transparent conducting properties of SnO2 rutile: an ab initio investigation

Cited by 12 publications

References 28 publications

Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Tailoring SnO2 Defect States and Structure: Reviewing Bottom-Up Approaches to Control Size, Morphology, Electronic and Electrochemical Properties for Application in Batteries

Biaxial strain modulation of the optoelectronic properties of F-doped defective monolayer SnS₂

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Effect of halogens doping on transparent conducting properties of SnO2 rutile: an ab initio investigation

Cited by 12 publications

References 28 publications

Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Dynamic synergy of tin in the electron-transfer layer and absorber layer for advancing perovskite solar cells: a comprehensive review

Tailoring SnO2 Defect States and Structure: Reviewing Bottom-Up Approaches to Control Size, Morphology, Electronic and Electrochemical Properties for Application in Batteries

Biaxial strain modulation of the optoelectronic properties of F-doped defective monolayer SnS2

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Product

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Biaxial strain modulation of the optoelectronic properties of F-doped defective monolayer SnS₂