Junction solar cells made with molecular beam glow discharge bombardment

Caine, E. J.; Charlson, E. J.

doi:10.1007/bf02656684

Cited by 10 publications

(3 citation statements)

References 25 publications

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“…The arsenic fluorides have received considerable attention because of their importance in the semiconductor industry: for example, AsF 3 and AsF 5 have been used as fluorinating reagents, and AsF 3 also as a dopant . Some other AsF n species have also been observed.…”

Section: Introductionmentioning

confidence: 99%

The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

Xu¹,

Li²,

Yu³

et al. 2002

J. Phys. Chem. A

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The molecular structures, electron affinities, and dissociation energies of the AsF n /AsF n -(n ) 1-6) species have been examined using four hybrid and pure density functional theory (DFT) methods. The basis set used in this work is of double-ζ plus polarization quality with additional diffuse s-and p-type functions, denoted DZP++. The geometries are fully optimized with each DFT method independently. Three types of energy separations reported in this work are the adiabatic electron affinity (EA ad ), the vertical electron affinity (EA vert ), and the vertical detachment energy (VDE). The first As-F dissociation energies D e (F n-1 As-F) for AsF n , and both D e (F n-1 As --F) and D e (F n-1 As-F -) for AsF nspecies have also been reported. The best method for predicting molecular structures was found to be BHLYP, while other methods generally overestimated bond lengths. For the closed-shell anions the As-F bond distances are ∼0.1 Å longer than those for the analogous neutrals. In contrast, when the neutral AsF n is a closed shell, the anion As-F distances is ∼0.2 Å longer. The most reliable adiabatic electron affinities, obtained at the DZP++ BHLYP level of theory, are 0.74 eV (As), 0.94 eV (AsF), 1.17 eV(AsF 2 ), 0.80 eV (AsF 3 ), 4.42 eV (AsF 4 ), and 2.79 eV (AsF 5 ), respectively. Those for As and AsF 2 are in good agreement with experiment, but that for AsF is smaller than the available experimental value (1.3 ( 0.1 eV). The predicted vertical detachment energy for AsF 6is remarkable, as large as 10.54 eV (BHLYP), indicating AsF 6is stable. The general trend for predicting the first dissociation energies is BP86 ∼ BLYP > B3LYP . BHLYP. The first dissociation energies for the neutral arsenic fluorides predicted by the DFT methods except BHLYP are 4.22-4.50 eV (AsF), 4.45-4.74 eV (AsF 2 ), 4.76-5.03 eV (AsF 3 ), 1.46-1.84 eV (AsF 4 ), and 3.87-4.11 eV (AsF 5 ). Compared to the experimental dissociation energies, the theoretical predictions are very reasonable. The anion bond dissociation energies are largely unknown experimentally. The dissociation energy for AsFf As + Fis predicted to be 1.73 eV (BHLYP), 1.82 eV (B3LYP), 1.93 eV (BP86), and 1.87 eV (BLYP), which values are in good agreement with experiment (1.9 ( 0.2 eV). The predicted bond dissociation energies for D e (F 3 As-F -) are in the range of 2.45-2.57 eV, which is close to the previous theoretical results using the HF and MP2/ECP methods. For the vibrational frequencies of the AsF n series, the BHLYP method also produces good predictions with the average error only about 10 cm -1 from available experimental values. The other three methods underestimate the vibrational frequencies, with the worst predictions given by the BLYP method.

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Section: Introductionmentioning

confidence: 99%

The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

Xu¹,

Li²,

Yu³

et al. 2002

J. Phys. Chem. A

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“…Most of these compounds are in fact extensively used in the electronic industry to perform etching and cleaning processes [1], to achieve the doping of semiconductors [2], and to deposit amorphous fluorinated materials [3]. All the MF 3 (M = N-Bi) have non-planar structures of C 3v symmetry and their bonding, properties, and reactivity have been extensively investigated, both experimentally and theoretically [4][5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Protonated MF3 (M=N–Bi): Structure, stability, and thermochemistry of the H–MF3+ and HF–MF2+ isomers

Giordani

Grandinetti

2009

Journal of Fluorine Chemistry

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“…AsF, has been used as a fluorinating reagent (Lindahl 1980) and as a dopant in semiconductor fabrication (e.g. Caine and Charlson 1984). It also serves the role of solvent for a conducting polymer solution (Frommer et a!…”

Section: Introductionmentioning

confidence: 99%

Quantitative photoabsorption and fluorescence spectroscopy of AsF₃in the vacuum ultraviolet

Wang

Suto

et al. 1988

J. Phys. B: At. Mol. Opt. Phys.

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The photoabsorption and fluorescence cross sections of AsF, were measured in the 105-218 nm region using synchrotron radiation as a light source. Vibrational progression is observed in the 119-127nm region and used to infer the molecular structure of the excited state. The absorption band at 153 nm shows Jahn-Teller splitting. Fluorescence appears at excitation wavelengths shorter than 152 nm. The fluorescence spectrum produced at 124 nm was dispersed. The emitter is tentatively attributed to the excited AsF, as based on the available excitation photon energy.

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Junction solar cells made with molecular beam glow discharge bombardment

Cited by 10 publications

References 25 publications

The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

Protonated MF3 (M=N–Bi): Structure, stability, and thermochemistry of the H–MF3+ and HF–MF2+ isomers

Quantitative photoabsorption and fluorescence spectroscopy of AsF₃in the vacuum ultraviolet

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Junction solar cells made with molecular beam glow discharge bombardment

Cited by 10 publications

References 25 publications

The Arsenic Fluorides AsFn (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

The Arsenic Fluorides AsFn (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

Protonated MF3 (M=N–Bi): Structure, stability, and thermochemistry of the H–MF3+ and HF–MF2+ isomers

Quantitative photoabsorption and fluorescence spectroscopy of AsF3in the vacuum ultraviolet

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The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

The Arsenic Fluorides AsF_n (n = 1−6) and Their Anions: Structures, Thermochemistry, and Electron Affinities

Quantitative photoabsorption and fluorescence spectroscopy of AsF₃in the vacuum ultraviolet