First principles study on the properties of p-type conducting In:SnO2

Qin, Guoqiang; Li, Dongchun; Feng, Zhijun; Liu, Shimin

doi:10.1016/j.tsf.2008.12.030

Cited by 40 publications

(16 citation statements)

References 32 publications

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“…2a. It shows that the band gap of SnO 2 is 1.23 eV which is consistent with the previous calculations [26][27][28], much lower than the experimental value of 3.60 eV [29] because the band gap is underestimated by the standard DFT calculation due to the poor description of the correlation interaction in multi-electronic system [32]. Around Fermi level, the valence bands of intrinsic SnO 2 mainly originated from the O 2p and Sn 5p orbitals, and the conduction bands are from O 2p and Sn 5p,5s orbitals.…”

Section: Electronic Structuressupporting

confidence: 92%

Electronic structure and optical properties of Bi,N co-doped SnO2

Feng

Huang

et al. 2015

J Mater Sci

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The geometry, electronic structure, and optical properties of Bi and N co-doped SnO 2 are investigated by first-principles calculations. The calculated results show that the N and Bi atoms can be introduced to intrinsic SnO 2 with reasonable formation energy (8.95-9.61 eV/cell) at different sites. Interestingly, the BiSn 15 O 31 N presents the character of indirect gap semiconductor with n-type conductivity. Increasing the doping concentration of N or Bi, BiSn 15 O 32-x N x (x = 2,3) behaves like a hole-rich semiconductor, while Bi y Sn 16-y O 31 N (y = 2,3) possesses the characteristic of metal. Moreover, the band gap of doped structures becomes smaller than intrinsic SnO 2 due to the emergence of energy bands contributing from doping elements near the Fermi level. The absorption intensity is enhanced in UV region, and the optical absorption edge shows red-shift phenomenon for all the doped systems. Our results on Bi,N co-doped SnO 2 display the improved capacity of absorption and broadened absorption region. These findings can be utilized in light sensor and solar cell.

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Section: Electronic Structuressupporting

confidence: 92%

Electronic structure and optical properties of Bi,N co-doped SnO2

Feng

Huang

et al. 2015

J Mater Sci

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“…For discussing this result, a diagram of the energy level alignment through the whole heterostructure of MDMO-PPV based OLEDs with silver cathode is depicted in figure 7. This diagram considers ITO as a degenerated semiconductor (4,6) and is based on the reported values of ITO bandgap 7, ITO work function (8), PEDOT:PSS ionization potential (9), PEDOT bandgap (10), MDMO-PPV bandgap (11), MDMO-PPV ionization potential (12), and the work function of silver and aluminum (13). This diagram assumes a vacuum level alignment; nevertheless dipole formation at organic / inorganic interfaces does affect the energy level alignment and carrier injection.…”

Section: Resultsmentioning

confidence: 99%

Análisis de la característica corriente-voltaje de diodos orgánicos emisores de luz (OLEDs) basados en polímeros depositados por spin coating.

et al. 2010

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Polymer-based organic light-emitting diodes (OLEDs) with the structure ITO / PEDOT:PSS / MDMO-PPV / Metal were prepared by spin coating. It is known that electroluminescence of these devices is strongly dependent on the material used as cathode and on the deposition parameters of the polymer electroluminescent layer MDMO-PPV. Objective. In this work the effect of i) the frequency of the spin coater (1000-8000 rpm), ii) the concentration of the MDMO-PPV: Toluene solution, and iii) the material used as cathode (Aluminium or Silver) on the electrical response of the devices, was evaluated through current-voltage (I-V) measurements. Materials and methods. PEDOT:PPS and MDMO-PPV organic layers were deposited by spin coating on ITO substrates, and the OLED structure was completed with cathodes of aluminium and silver. The electric response of the devices was evaluated based on the I-V characteristics. Results. Diodes prepared with thinner organic films allow higher currents at lower voltages; this can be achieved either by increasing the frequency of the spin coater or by using concentrations of MDMO-PPV: Toluene lower than 2% weight. A fit of the experimental data showed that the diodes have two contributions to the current. The first one is attributed to parasitic currents between anode and cathode, and the other one is a parallel current through the organic layer, in which the carrier injection mechanism is mediated by thermionic emission. Conclusions. The results fitting and the energy level alignment through the whole structure show that PPV-based OLEDs are unipolar devices, with current mainly attributed to hole transport. Key words: organic semiconductors, OLEDs, electroluminescent polymers, MDMO-PPV, PEDOT:PSS, Spin coating, HOMO, LUMO, carrier injection, thermionic emission.

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“…There have been a few reports regarding films prepared using spray pyrolysis, sputtering, and sol-gel methods, and elements such as In [4][5][6], Ga [7][8][9][10], Al [11][12], Sb [13][14][15], Zn [16][17][18], Fe [19], Cu [20], N [21][22], or In-Ga co-doping [23] used as acceptor dopants. Among these dopants, Ga seems to be the most effective p-type dopant for SnO 2 , as its ionic radius (0.62 Å) is nearly equal to that of Sn 4+ (0.69 Å).…”

Section: Introductionmentioning

confidence: 99%