A Strong Deviation from Vegard’s Rule: X-Ray Powder Investigations of the Three Quasi-Binary Phase Systems BiOX–BiOY (X, Y = Cl, Br, I)

Keller, Egbert; Krämer, V.

doi:10.1515/znb-2005-1207

Cited by 62 publications

(44 citation statements)

References 15 publications

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“…Therefore, the final reaction product will not be a simple single phase solid such as PbX 2 (X = Cl, I), but rather a complex phase or even multi-phase mixture where iodine and chlorine are probably present in anionic form. It seems plausible that in such a solid, iodine and chlorine could be bound in a similar way as in the oxyhalogenides of Pb and Bi [25], which are a well-known class of stable compounds, some of the mixed Pb/Bi phases even occurring as minerals, e.g. PbBiClO 2 [26] or PbBiIO 2 [27].…”

Section: Discussionmentioning

confidence: 99%

Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Hammer-Rotzler¹,

Neuhausen

Vockenhuber

et al. 2015

Radiochimica Acta

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Abstract:The concentrations of the long-lived nuclear reaction products 129 I and 36 Cl have been measured in samples from the MEGAPIE liquid metal spallation target. Samples from the bulk target material (lead-bismuth eutectic, LBE), from the interface of the metal free surface with the cover gas, from LBE/steel interfaces and from noble metal absorber foils installed in the cover gas system were analysed using Accelerator Mass Spectrometry at the Laboratory of Ion beam Physics at ETH Zürich. The major part of 129 I and 36 Cl was found accumulated on the interfaces, particularly at the interface of LBE and the steel walls of the target container, while bulk LBE samples contain only a minor fraction of these nuclides. Both nuclides were also detected on the absorber foils to a certain extent (≪ 1% of the total amount). The latter number is negligible concerning the radio-hazard of the irradiated target material; however it indicates a certain affinity of the absorber foils for halogens, thus proving the principle of using noble metal foils for catching these volatile radionuclides. The total amounts of 129 I and 36 Cl in the target were estimated from the analytical data by averaging within the different groups of samples and summing up these averages over the total target. This estimation could account for about half of the amount of 129 I and 36 Cl predicted to be produced using nuclear physics modelling codes for both nuclides. The significance of the results and the associated uncertainties are discussed.

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Section: Discussionmentioning

confidence: 99%

Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Hammer-Rotzler¹,

Neuhausen

Vockenhuber

et al. 2015

Radiochimica Acta

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“…The structure of BiOX belongs to the tetragonal space group P4/nmm (number 129). The experimental lattice constants and atomic positions [41,42] were applied to the species of BiOCl and BiOI in the present calculations.…”

Section: Theorymentioning

confidence: 99%

Preparation and first-principles study for electronic structures of BiOI/BiOCl composites with highly improved photocatalytic and adsorption performances

Yang

Zhang

et al. 2016

Journal of Molecular Catalysis A: Chemical

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“…In other words, each primitive cell contains two bismuth atoms, two oxygen atoms, and two iodine atoms. The corresponding crystallographic parameters of the optimized crystal structure by the different methods (GGA, GGA + U, and HSE06) are listed in Table 1, in which the experimental measurements are also provided for comparison [31]. Compared with the experimental results, the cell volumes obtained by the GGA and GGA + U methods are slightly larger because all of the lattice constants are slightly larger.…”

Section: Introductionmentioning

confidence: 99%

Electronic Structure and Optical Properties of BiOI as a Photocatalyst Driven by Visible Light

Dai

Zhao

2016

Catalysts

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Bismuth oxyiodide (BiOI) is an important photoelectric functional material that has a wide range of applications. In particular, it can be used as a photocatalyst that shows photocatalytic activity under visible-light irradiation. The synthesis procedure and related photocatalytic performance of BiOI have been reported. However, some of its fundamental properties still need to be further investigated. In this article, density functional theory calculations were performed to investigate the crystal structure, electronic properties, and optical properties of BiOI. Furthermore, the relationship between the intrinsic properties and the photocatalytic performance of BiOI was investigated. Based on the calculated results of the band structure, density of states, and projected wave function, the molecular-orbital bonding structure of BiOI is proposed. As a semiconductor photocatalyst, BiOI shows slight optical anisotropy in the visible-light region, indicating that it can efficiently absorb visible light if the morphology of BiOI is controlled. After comparing several computational methods, it was found that the generalized-gradient approximation corrected for on-site Coulomb interactions (GGA + U) is a suitable computational method for large sized BiOI models (e.g., impurity doping, the surface, and the interface) because it can significantly reduce the computational time while maintaining calculation accuracy. Thus, this article not only provides an in-depth understanding of the fundamental properties of BiOI as a potential efficient photocatalyst driven by visible light, but it also suggests a suitable computational method to investigate these properties.

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A Strong Deviation from Vegard’s Rule: X-Ray Powder Investigations of the Three Quasi-Binary Phase Systems BiOX–BiOY (X, Y = Cl, Br, I)

Cited by 62 publications

References 15 publications

Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Preparation and first-principles study for electronic structures of BiOI/BiOCl composites with highly improved photocatalytic and adsorption performances

Electronic Structure and Optical Properties of BiOI as a Photocatalyst Driven by Visible Light

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A Strong Deviation from Vegard’s Rule: X-Ray Powder Investigations of the Three Quasi-Binary Phase Systems BiOX–BiOY (X, Y = Cl, Br, I)

Cited by 62 publications

References 15 publications

Radiochemical determination of 129I and 36Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Radiochemical determination of 129I and 36Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Preparation and first-principles study for electronic structures of BiOI/BiOCl composites with highly improved photocatalytic and adsorption performances

Electronic Structure and Optical Properties of BiOI as a Photocatalyst Driven by Visible Light

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Product

Resources

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Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target

Radiochemical determination of ¹²⁹I and ³⁶Cl in MEGAPIE, a proton irradiated lead-bismuth eutectic spallation target