Electronegativity and doping in semiconductors

Schwingenschlögl, Udo; Chroneos, Alexander; Schuster, C.; Grimes, Robin W.

doi:10.1063/1.4747932

Cited by 4 publications

(4 citation statements)

References 29 publications

(34 reference statements)

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“…12 Especially, the higher Pauling electronegativity of dopant materials could enhance the electron density between the dopant ion and the nearest host ions that donate electrons. 13 Here, the electronegativity of tantalum oxide (2.4) is higher than that of titanium oxide (1.59) in a similar oxidation state. Furthermore, extra electrons can be easily generated by increasing the density of Ta 5þ ions whereas the Ti 4þ ions are relatively suppressed.…”

mentioning

confidence: 81%

The effect of Ta doping in polycrystalline TiOx and the associated thin film transistor properties

Park

Chung

et al. 2013

Applied Physics Letters

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Tantalum (Ta) is suggested to act as an electron donor and crystal phase stabilizer in titanium oxide (TiO x). A transition occurs from an amorphous state to a crystalline phase at an annealing temperature above 300 C in a vacuum ambient. As the annealing temperature increases from 300 C to 450 C, the mobility increases drastically from 0.07 cm 2 /Vs to 0.61 cm 2 /Vs. The remarkable enhancement of thin film transistor performance is suggested to be due to the splitting of Ti 3d band orbitals as well as the increase in Ta 5þ ions that can act as electron donors.

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mentioning

confidence: 81%

The effect of Ta doping in polycrystalline TiOx and the associated thin film transistor properties

Park

Chung

et al. 2013

Applied Physics Letters

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“…Interestingly, from Figure e, the adsorption energies of the OH/M-doped ZnO(0001) and the <EBO> of M–O bonds increase with an increase in the ions’ electronegativity of dopants in this work, demonstrating that doping with lower electronegativity metallic ions can decrease the covalency level of the bonds between the OH groups and ZnO slabs and result in the limited adsorption of OH groups on ZnO. Because when ZnO is doped by lower electronegativity metallic ions, the electrons will transfer from dopants to the nearest neighbor host atoms, leading to the formation of p-type oxides (acceptor). , Besides, the investigation of Cu/M-doped SnO 2 interfaces demonstrated that the hole carriers provided by the p-type SnO 2 (low-valence doping) would recombine with the electrons provided by the metal, leading to stronger interfacial bonding and interface adhesion . As opposed to Cu, which tends to lose electrons, the OH groups tend to gain electrons; thus, the OH groups would prefer to adsorb on the n-type ZnO (higher electronegativity dopants) rather than the p-type ZnO (lower electronegativity dopants).…”

Section: Resultsmentioning

confidence: 62%

“…Because when ZnO is doped by lower electronegativity metallic ions, the electrons will transfer from dopants to the nearest neighbor host atoms, leading to the formation of p-type oxides (acceptor). 56,57 Besides, the investigation of Cu/M-doped SnO 2 interfaces demonstrated that the hole carriers provided by the p-type SnO 2 (low-valence doping) would recombine with the electrons provided by the metal, leading to stronger interfacial bonding and interface adhesion. 58 As opposed to Cu, which tends to lose electrons, the OH groups tend to gain electrons; thus, the OH groups would prefer to adsorb on the n-type ZnO (higher electronegativity dopants) rather than the p-type ZnO (lower electronegativity dopants).…”

Section: Effect Of Doping On Electronic Structurementioning

confidence: 99%

Suppressing the Agglomeration of ZnO Nanoparticles in Air by Doping with Lower Electronegativity Metallic Ions: Implications for Ag/ZnO Electrical Contact Composites

Chen

Shao

et al. 2022

ACS Appl. Nano Mater.

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Due to the strong surface energy and polarity, ZnO nanoparticles are prone to adsorbing the OH groups dissociated from water in the air, leading to easy agglomeration and hence deteriorating the dispersion of ZnO in composites. In this work, it has been theoretically and experimentally demonstrated that doping with lower electronegativity metallic ions is an effective strategy to suppress the agglomeration of ZnO nanoparticles. By calculating the adsorption energies and electronic structures of OH/M-doped ZnO configurations (M = Li+, Cu2+, Al3+), it was found that metallic ion doping with a lower electronegativity (in comparison to that of the host Zn2+) can efficiently reduce the adsorption of OH groups on the ZnO surface due to the lower effective bond order of M–O bonds. Guided by the theoretical results, various M-doped ZnO nanoparticles (M = Li+, Cu2+, Al3+) were prepared and characterized by X-ray photoelectron spectroscopy and a laser particle sizer, which confirmed that the lower the electronegativity of dopants, the lower the OH groups’ adsorbed amounts and aggregate sizes of M-doped ZnO nanoparticles. This work provides a general avenue to design the composition of M-doped ZnO nanoparticles for suppressing agglomeration and enhance the dispersion of ZnO in composites.

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“…Moreover, according to the cluster formation model, thallium with the electronegativity of 1.62 against aluminum with 1.61 can result in a cluster system of TAZO with a higher possibility of electron donation than AZO. [30][31][32][33]…”

Section: Introductionmentioning

confidence: 99%

Effects of Thallium–Aluminum‐Codoped Zinc Oxide Thin Film as a New Transparent Conducting Oxide

Zamani-Meymian

Mousavi

Rabbani

et al. 2021

Physica Status Solidi (a)

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Herein, the electro–optical properties of sol–gel spin‐coated “thallium–aluminum‐codoped zinc oxide (TAZO)” focusing on the effects of thallium are investigated. It is shown that the amount of thallium (Tl) has a significant effect on improving the electrical properties of TAZO as a new transparent conducting oxide (TCO). The optimum results are achieved by adding 1 at% of Tl to aluminum‐doped zinc oxide (AZO), after which the sheet resistance (Rs) value is reduced from 30.21 to 2.832 KΩ sq−1. Although less Rs is recorded in all amounts of Tl used (from 1 to 4 at%) than in Tl‐free samples, Rs also increases as the amount of Tl increases, which is related to the degradation of the crystal structure at higher values of Tl. In view of a trade‐off between electrical conductivity and optical transparency, a decrease in transparency in the presence of Tl is a predictable issue, but while the Tl‐free samples record 90% transparency, the uniform thin film of 1 at% Tl‐AZO is able to achieve 85% transparency. This small amount of reduction in transparency shows the high potential of Tl to improve the properties of AZO as a TCO.

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Electronegativity and doping in semiconductors

Cited by 4 publications

References 29 publications

The effect of Ta doping in polycrystalline TiOx and the associated thin film transistor properties

The effect of Ta doping in polycrystalline TiOx and the associated thin film transistor properties

Suppressing the Agglomeration of ZnO Nanoparticles in Air by Doping with Lower Electronegativity Metallic Ions: Implications for Ag/ZnO Electrical Contact Composites

Effects of Thallium–Aluminum‐Codoped Zinc Oxide Thin Film as a New Transparent Conducting Oxide

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