Sol–gel synthesis and characterisation of nanoscopic strontium fluoride

Schmidt, Larisa; Emmerling, Franziska; Kirmse, Holm; Kemnitz, Erhard

doi:10.1039/c3ra43769h

Cited by 23 publications

(11 citation statements)

References 22 publications

(21 reference statements)

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“…Only recently, considerable attention has been devoted to metal fluorides [17][18][19], especially after the development of the sol-gel route to their synthesis [20]. Originally used for the synthesis of nanoscopic AlF 3 [21][22][23] and successfully applied to MgF 2 -based materials [24], fluorolytic sol-gel synthesis has been operated on many other fluorides [25,26], including ZnF 2 [27] and the alkaline-earth fluorides CaF 2 , SrF 2 and BaF 2 [28,29]. In a sol-gel procedure, a metal precursor reacts with hydrogen fluoride in a suitable organic solvent to form a transparent sol.…”

Section: Introductionmentioning

confidence: 99%

A Computational Study of AlF3 and ACF Surfaces

et al. 2018

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By applying first principles density functional theory (DFT) methods, different metal fluorides and their surfaces have been characterized. One of the most investigated metal fluorides is AlF3 in different polymorphs. Its chloride-doped analogon AlClxF3−x (ACF) has recently attracted much attention due to its application in catalysis. After presenting a summary of different first-principle studies on the bulk and surface properties of different main group fluorides, we will revisit the problem of the stability of different α -AlF3 surfaces and extend the investigation to chloride-doped counterparts to simulate the surface properties of amorphous ACF. For each material, we have considered ten different surface cuts with their respective terminations. We found that terminations of ( 01 1 ¯ 0 ) and ( 11 2 ¯ 0 ) yield the most stable surfaces for α -AlF3 and for the chlorine substituted surfaces. A potential equilibrium shape of the crystal for both α -AlF3 and ACF is visualized by a Wulff construction.

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Section: Introductionmentioning

confidence: 99%

A Computational Study of AlF3 and ACF Surfaces

et al. 2018

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“…Provided appropriate reaction conditions are established, a whole bunch of metal fluorides may be synthesized. In the simplest case, these are the binary fluorides like LiF, MgF 2 , CaF 2 , SrF 2 , ZnF 2 , AlF 3 , YbF 3 [30][31][32][33][34][35][36][37], but nanoparticles consisting of several multiphase systems like MgF 2 -CaF 2 , ZnF 2 -FeF 3 and others have also gained interest for several applications [38,39].…”

Section: Fluorolytic Sol-gel Synthesismentioning

confidence: 99%

“…Only the application of potassium alkoxides, K(OR), prevents the formation of KHF 2 since the latter is not stable in the presence of a strong base. Another example is the fluorination of SrCl 2 with two equivalents of HF, which results in a mixture of SrF 2 , SrClF and unreacted HF, and therefore SrCl 2 is an inappropriate precursor [36].…”

Section: Choice Of Precursor and Solventmentioning

confidence: 99%

Nano metal fluorides: small particles with great properties

2020

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The recently developed fluorolytic sol–gel route to metal fluorides opens a very broad range of both scientific and technical applications of the accessible high surface area metal fluorides, many of which have already been applied or tested. Specific chemical properties such as high Lewis acidity and physical properties such as high surface area, mesoporosity and nanosize as well as the possibility to apply metal fluorides on surfaces via a non-aqueous sol make the fluorolytic synthesis route a very versatile one. The scope of its scientific and technical use and the state of the art are presented.

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“…Particularly, they exhibit exceptional optical properties and are considered as excellent candidates for antireflective optical coatings, spectroscopy and laser applications, mainly due to their optical transmittance ranging from low UV up to the high IR region. Because of their low refractive index and their low solubility in water, CaF

and SrF

are often used as chemical resistant, weather-proof coating materials for high quality optical windows [ 1 ]. Moreover, they have shown to improve the mechanical and chemical properties of dental materials when they are used as inorganic fillers in dental composites [ 2 , 3 ].…”

Section: Introductionmentioning

confidence: 99%

On the Morphology of Group II Metal Fluoride Nanocrystals at Finite Temperature and Partial Pressure of HF

et al. 2017

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We have investigated the bulk and surface properties of the group II metal fluorides CaF2, SrF2 and BaF2 using periodic density functional theory (DFT) calculations and surface thermodynamics. Our bulk results show that the best agreement with experiment is achieved with the B3LYP and PBE functionals. We determined the relative importance of the low index surfaces in vacuum and found that an fluoride microcrystal exposes only the (111) surface in which the undercoordinated cations are sevenfold coordinated. With methods of ab initio surface thermodynamics, we analyzed the stability of different surfaces under hydrogen fluoride (HF) pressure and determined the presumable shape of the crystals with respect to different HF concentrations and temperatures. In the case of CaF2 and SrF2, the calculated shapes of the crystals agree well with TEM images of fluorolytic sol-gel synthesized nanocrystals at room temperature and high HF concentration.

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Sol–gel synthesis and characterisation of nanoscopic strontium fluoride

Cited by 23 publications

References 22 publications

A Computational Study of AlF3 and ACF Surfaces

A Computational Study of AlF3 and ACF Surfaces

Nano metal fluorides: small particles with great properties

On the Morphology of Group II Metal Fluoride Nanocrystals at Finite Temperature and Partial Pressure of HF

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