Potassium Fluoride Research Articles

Simulation of dissolution of cerium trifluoride in a mixture of LIF–NaF–KF

The study of phase diagrams of multicomponent molten mixtures is traditionally carried out either by experimental measurements or thermodynamic calculations based on known experimental data. Atomistic modeling occupies a significantly smaller share in the methodology, and the capabilities of this approach have been poorly studied. In this work, we simulated the dissolution of cerium trifluoride in the ternary eutectic of lithium, sodium, and potassium fluorides using the molecular dynamics method. A time- and ensemble-scale simulation of the coexisting crystalline phase and melt at several temperatures was carried out. The influence of ensemble size was studied. The rate of dissolution was studied depending on temperature. The asymptote of the dependence agrees well with the experimental liquidus temperature for a given composition. A conclusion is given about the possibility of using molecular dynamics to determine the complete solubility of a melt component.

Controlled Release of Diborane from Alkali Metal Borohydride using Ionic Liquid-Based Lewis Acids.

Alkali metal borohydrides present a rich source of energy dense materials of boron and hydrogen, however their potential in propellants has been hitherto untapped. Potassium borohydride is a promising fuel with high gravimetric energy density and relatively low sensitivity to air and moisture. Problems arise due to the dehydrogenation of the borohydride on heating with minimal energy release. Common methods to extract both boron and hydrogen by means of borane species involve direct reaction of boron trifluoride species with alkali borohydrides. However, these methods face storage and safety issues due to rapid release of diborane on mixing the reactants. We propose a method of diborane release through controlled release of boron trifluoride by means of a tetrafluoroborate based ionic liquid. The trifluoride is released from the ionic liquid at elevated temperatures and enables safe mixture of the reactants at room temperature. It was found that the reaction between borohydride and boron trifluoride proceeds well above room temperature with potassium borohydride releasing diborane and potassium fluoride. The reaction pathway shows a primary reaction releasing diborane and potassium fluoride and a second less energy efficient step leading to the formation of potassium tetrafluoroborate. A 3D printed propellant formulation was also tested.

Controlled Release of Diborane from Alkali Metal Borohydride using Ionic Liquid‐Based Lewis Acids

AbstractAlkali metal borohydrides present a rich source of energy dense materials of boron and hydrogen, however their potential in propellants has been hitherto untapped. Potassium borohydride is a promising fuel with high gravimetric energy density and relatively low sensitivity to air and moisture. Problems arise due to the dehydrogenation of the borohydride on heating with minimal energy release. Common methods to extract both boron and hydrogen by means of borane species involve direct reaction of boron trifluoride species with alkali borohydrides. However, these methods face storage and safety issues due to rapid release of diborane on mixing the reactants. We propose a method of diborane release through controlled release of boron trifluoride by means of a tetrafluoroborate based ionic liquid. The trifluoride is released from the ionic liquid at elevated temperatures and enables safe mixture of the reactants at room temperature. It was found that the reaction between borohydride and boron trifluoride proceeds well above room temperature with potassium borohydride releasing diborane and potassium fluoride. The reaction pathway shows a primary reaction releasing diborane and potassium fluoride and a second less energy efficient step leading to the formation of potassium tetrafluoroborate. A 3D printed propellant formulation was also tested.

Interfacial Distribution Effects of Potassium Fluoride on Enhancing Performance and UV Stability of Perovskite Solar Cells

Interfacial Distribution Effects of Potassium Fluoride on Enhancing Performance and UV Stability of Perovskite Solar Cells

Influence of Sodium Chloride and Potassium Fluoride on Electrochemical Properties of Aluminum Copper Interdigital Structures

This paper evaluates the electrochemical properties of aluminum (0.5 w%) copper alloy metallized test chip surfaces with interdigital structures and distances between 3 and 20 μm, regarding sodium chloride and potassium fluoride contamination in the range of 1011–1016 ions per cm2 at high humidity (85%) and high temperature (85 °C). These accelerated tests result in leakage currents and impedance values which show a significant change above a contamination limit value of 1014 ions per cm2 for both salts i.e., the leakage current starts to increase well above a few pico amperes, and the impedance decreases significantly. This contamination level can be seen as a turning point, after which devices can undergo for example signal shifts or corroded metal tracks over lifetime. But not only the start point of an increase in leakage current decides about the harmfulness of the contamination, other important influences are deliquescence and how high the leakage current gets at its maximum. Therefore, even with the same starting point, the risk evaluation is not the same for sodium chloride and potassium fluoride.

The Effect of Mole Ratio Natural-CaCO₃/KF in the Synthesis of KCaF₃ Perovskite Base Catalyst

The KCaF3 perovskite catalyst was successfully synthesized by reacting limestone (natural-CaCO3) with potassium fluoride (KF). The synthesis of the KCaF3 catalyst was conducted with several variations in the mole ratio of CaCO3 to KF (1:1, 1:2, and 1:3). The research results showed that the addition of KF can affect the characteristics of the catalyst. The optimal catalyst is the KCaF3 catalyst with a mole ratio variation of 1:3. X-ray diffractometer analysis revealed that the highest KCaF3 phase composition reached 74.05%, while thermogravimetric analysis indicated a CaCO3 concentration of 34.50%. Surface Area Analyzer analysis shows that KCaF3 has the largest surface area, which is 187.1 m2/g. This catalyst efficiently facilitated the transesterification of palm oil, yielding 93.4% biodiesel.

Improved conditions for the synthesis of tertiary fluorides using a KF/H2SO4 combination

In this paper, we report the deoxyfluorination of tertiary alcohol using a simple combination of potassium fluoride and sulfuric acid. These cheap and widely available reagents allow for the synthesis of tertiary fluorides in good to excellent yields. Extension of the reaction to other functional groups such as alkenes, acetates and ethers have also been studied.

Study on the mechanism of potassium fluoride, magnesium fluoride and calcium fluoride on the crystal morphology and sintering performance of fluorapatite functional glass-ceramics

Fluorapatite glass-ceramics were prepared at lower temperatures by atmospheric pressure sintering method using KF, MgF2 and CaF2 as additives, respectively. Using XRD, SEM and mechanical property test to justify the effect of different fluorides on the sintering properties of fluorapatite composites. The results show that fluoride can be used as nucleating agent, react with wollastonite and phosphate glass to crystallize rod-like fluorapatite phase during heat treatment. The crystallization mechanism of fluorine-containing glass-ceramics was analyzed by crystallization thermodynamics and crystallization kinetics. KF with lower melting point is beneficial to promote the crystallization reaction and improve the morphology stability of the glass ceramic composite, but the volatile gas released during the reaction will affect the mechanical properties of it, resulting in a flexural strength of only 11.81 MPa at 900 °C. For the samples supplemented with MgF2 and CaF2, because of the formation of polycrystalline phase systems, the flexural strength of the composite at 900 °C increases to 62.79 and 52.6 MPa, respectively.

Green and Efficient Protocols for the Synthesis of Sulfonyl Fluorides Using Potassium Fluoride as the Sole Fluorine Source

Green and Efficient Protocols for the Synthesis of Sulfonyl Fluorides Using Potassium Fluoride as the Sole Fluorine Source

In-Flow Generation of Thionyl Fluoride (SOF2) Enables the Rapid and Efficient Synthesis of Acyl Fluorides from Carboxylic Acids.

Herein, we report an approach for generating thionyl fluoride (SOF2) from the commodity chemicals thionyl chloride (SOCl2) and potassium fluoride (KF). The methodology relies on a microfluidic device that can efficiently produce and dose this toxic gaseous reagent under extremely mild and safe conditions. Subsequently, the in situ-generated thionyl fluoride is reacted with an array of structurally and electronically differing carboxylic acids, leading to the direct and efficient synthesis of highly sought-after acyl fluorides. Importantly, our investigation also highlights the inherent modularity of this flow-based platform. We demonstrate the adaptability of this approach by not only synthesizing acyl fluorides but also directly converting carboxylic acids into a diverse array of valuable compounds such as esters, thioesters, amides, and ketones. This versatility showcases the potential of this approach for a wide range of synthetic applications, underscoring its significance in the realm of chemical synthesis.

Determination and Correlation of the Solubility of Potassium Fluoride in Eight Single Solvents and Four Binary Solvent Mixtures at Different Temperatures

Determination and Correlation of the Solubility of Potassium Fluoride in Eight Single Solvents and Four Binary Solvent Mixtures at Different Temperatures

Analysis of the technology of electrochemical production of hafnium

The paper analyzes promising industrial processes for obtaining electrolytic hafnium powder. It is shown that extraction and iodide refining are the main processes used to purify hafnium from impurities, achieving both reactor-grade and high purity. The conducted studies have demonstrated the possibility of creating an alternative, more economical, and environmentally safe technology for hafnium recovery, compared to the current magnesium-thermal method. Production of reactor hafnium by electrolysis from molten electrolyte K2HfF6–KCl–KF is possible due to obtaining hafnium oxynitrate salt of nuclear purity and the creation of a hermetic electrolyzer. It is shown that the process of electrolysis leads to the accumulation of potassium fluoride in the electrolyte and requires its periodic draining with deterioration of technological indicators associated with increased recycling of the electrolyte. It was found that along with hafnium, metallic potassium is released on the cathode, which additionally worsens the technical and economic indicators of production. Sealing the electrolyzer makes it possible to create an overpressure of anode gas and determine its quantitative and chemical composition. Processing hafnium cathode sludge with potassium carbonate solution preserves the potassium cycle in the system and eliminates the effluents generated by ammonium carbonate.

An electron-blocking interface for garnet-based quasi-solid-state lithium-metal batteries to improve lifespan

Garnet oxide is one of the most promising solid electrolytes for solid-state lithium metal batteries. However, the traditional interface modification layers cannot completely block electron migrating from the current collector to the interior of the solid-state electrolyte, which promotes the penetration of lithium dendrites. In this work, a highly electron-blocking interlayer composed of potassium fluoride (KF) is deposited on garnet oxide Li6.4La3Zr1.4Ta0.6O12 (LLZTO). After reacting with melted lithium metal, KF in-situ transforms to KF/LiF interlayer, which can block the electron leakage and inhibit lithium dendrite growth. The Li symmetric cells using the interlayer show a long cycle life of ~3000 hours at 0.2 mA cm−2 and over 350 hours at 0.5 mA cm−2 respectively. Moreover, an ionic liquid of LiTFSI in C4mim-TFSI is screened to wet the LLZTO|LiNi0.8Co0.1Mn0.1O2 (NCM) positive electrode interfaces. The Li|KF-LLZTO | NCM cells present a specific capacity of 109.3 mAh g−1, long lifespan of 3500 cycles and capacity retention of 72.5% at 25 °C and 2 C (380 mA g−1) with an average coulombic efficiency of 99.99%. This work provides a simple and integrated strategy on high-performance quasi-solid-state lithium metal batteries.

Post-treatment of Ti-MWW zeolite with potassium fluoride for propylene epoxidation

Post-treatment of Ti-MWW zeolite with potassium fluoride for propylene epoxidation

Leaching kinetics of ash impurities from aphanitic graphite by combining dual-ultrasound and hydrochloric acid–potassium hydrogen fluoride

The hydrochloric acid-fluoride salt is useful for purifying graphite. Ultrasonic-assisted technique can significantly reduce the leaching time and improve the leaching efficiency. Compared with single-frequency, dual-frequency ultrasound has the advantages of high energy efficiency and wide cavitation area. In this study, the combination of a dual-frequency ultrasound-assisted technique and hydrochloric acid–potassium hydrogen fluoride leaching agent was proposed for the leaching of aphanitic graphite to remove impurity minerals. First, the effects of probe-type ultrasonic power, tank-type ultrasonic power, temperature, HCl concentration, ultrasonication time, and KHF2 concentration on the purification efficiency of impurities from aphanitic graphite with the assistance of dual-frequency ultrasound were investigated. It was found that the combination of dual-frequency ultrasound and hydrochloric acid–potassium hydrogen fluoride can reduce the ash content of aphanitic graphite from 13.02 % to 1.02 % with an ash removal rate of 94.17 %. Second, volumetric reaction models and unreacted shrinkage nucleation models were used to fit the kinetics of impurities from aphanitic graphite with dual-frequency ultrasound-assisted HCl-KHF2 leaching. Kinetic analysis shows that the volumetric reaction model with chemical control was better to fit the leaching process. This is consistent with the calculation results of the activation energy of the reaction (Ea = 58.13 kJ/mol). Finally, laser particle size analyzer, X-ray diffraction (XRD), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), X-ray fluorescence spectroscopy (XRF), transmission electron microscopy-energy dispersive X-ray spectroscopy (TEM-EDS) were used to analyze the fugacity of impurity minerals during the process of dual-frequency ultrasound-assisted HCl-KHF2 leaching. It was revealed that combining ultrasonic cavitation fragmentation with chloric acid–potassium fluoride generated SiF4 with high solubility, thereby removing silica-bearing impurities more efficiently. The challenges in further reducing ash content from 1.02 % in the leached concentrate of aphanitic graphite could be attributed to the existence of titanium-bearing mineral impurities on the surface of graphite particles and the presence of silica-bearing minerals between graphite carbon layers.

Formation of Organic Monolayers on KF-Etched Si Surfaces

Silicon is the most commonly used material in the microelectronics industry, due to its inherent advantages of high natural abundance, low cost, and high purity, coupled with the chemical and electrical stability at the interface with its oxide. For molecular electronics applications, oxide-free Si surfaces are widely used because of the relative ease of removing the oxide (SiOx) by chemical means, yielding a surface which forms strong covalent bonds with a wide range of chemical functional groups; another advantage is that these surfaces remain oxide-free in the absence of oxidising agents. Standard procedures require the use of either HF, NH4F, or a mixture of both as the etching solution; however, these two chemicals are highly corrosive and toxic, posing a significant risk to the experimentalist. Here, we report that for silicon wafers etched by using potassium fluoride, a less toxic chemical, the resulting surface is free of oxides and can be functionalized by self-assembled monolayers of 1,8-nonadiyne. To demonstrate this, Si/SiOx wafers were etched by using either KF or NH4F, followed by hydrosilylation with 1,8-nonadiyne and a click reaction of the terminal alkyne with azidomethylferrocene. The surface coverages and electron transfer kinetics of the ferrocene-terminated KF-etched surfaces are comparable to those formed by acidic fluoride etching procedures. This is the first study comparing the differences between surfaces functionalized by self-assembled monolayers of 1,8-nonadiyne which were etched by KF and NH4F. KF could be used as a replacement chemical for etching silicon wafers when a less corrosive and toxic chemical is required.

Enhanced Electrical Transport Properties of Molybdenum Disulfide Field-Effect Transistors by Using Alkali Metal Fluorides as Dielectric Capping Layers.

The electronic properties of 2D materials are highly influenced by the molecular activity at their interfaces. A method was proposed to address this issue by employing passivation techniques using monolayer MoS2 field-effect transistors (FETs) while preserving high performance. Herein, we have used alkali metal fluorides as dielectric capping layers, including lithium fluoride (LiF), sodium fluoride (NaF), and potassium fluoride (KF) dielectric capping layers, to mitigate the environmental impact of oxygen and water exposure. Among them, the LiF dielectric capping layer significantly improved the transistor performance, specifically in terms of enhanced field effect mobility from 74 to 137 cm2/V·s, increased current density from 17 μA/μm to 32.13 μA/μm at a drain voltage of Vd of 1 V, and decreased subthreshold swing to 0.8 V/dec The results have been analytically verified by X-ray photoelectron spectroscopy (XPS) and Raman, and photoluminescence (PL) spectroscopy, and the demonstrated technique can be extended to other transition metal dichalcogenide (TMD)-based FETs, which can become a prospect for cutting-edge electronic applications. These findings highlight certain important trade-offs and provide insight into the significance of interface control and passivation material choice on the electrical stability, performance, and enhancement of the MoS2 FET.

Ion‐Dipole Interaction for Self‐Assembled Monolayers: A New Strategy for Buried Interface in Inverted Perovskite Solar Cells

AbstractNickel oxide (NiOX) has a crucial role in enhancing the efficiency and stability of p‐i‐n inverted perovskite solar cells (PSCs), which hold great potential for commercialization. However, improving contact passivation between perovskites and NiOX is a challenge due to a hindered buried interface. In order to address this issue, self‐assembled monolayers (SAMs) are introduced as a buffer layer to prevent direct contact and non‐radiative recombination. While, the large dipole moment of SAMs increases the work function of NiOX, which is crucial for enhancing hole transport performance, given the low interfacial potential barrier for hole transfer. By a combination of the first‐principles calculations, drive‐level capacitance profiling, and transient absorption spectrum characterization, the understanding of the ion‐dipole interactions and interface passivation mechanism of potassium fluoride (KF) ultra‐thin buffer layer between SAMs and perovskites is provided. The efficiency of inverted PSCs as high as 23.25% is obtained, and the unencapsulated devices kept 90% of initial efficiency following 1400 h aging under nitrogen, which demonstrate remarkable long‐term stability as well. This novel strategy highlights the significance of SAMs dipole moment at the NiOX/perovskites interface and provides a new approach to address buried interfaces for high‐efficiency and long‐term stability in inverted PSCs.

Selective O-Acylation of Enol Silyl Ethers with Acyl Fluorides Catalyzed by Fluoride Ions Derived from Potassium Fluoride and 18-Crown-6.

The fluoride ion-catalyzed selective O-acylation of enol silyl ethers with acyl fluorides using KF and 18-Crown-6 is described herein. This catalytic system facilitated the practical and facile reaction of a variety of enol silyl ethers derived from aromatic/aliphatic ketones and aldehydes with acyl fluorides to afford useful and valuable enol esters.

Mechanism of interaction between zirconium dioxide and fluoride melts

In this work, the mechanism of interaction between zirconium dioxide and fluoride melts was studied. Dissolution rates and maximum permissible oxide contents in the KF-AlF3 and NaF-AlF3 melts were determined under natural convection conditions at a temperature of 750 °C. The results of solubility measurement show that the limiting content of ZrO2 in the KF-AlF3 melt ([KF]/[AlF3] = 1.3) is 0.69 ± 0.10 mol. %, and in the NaF-AlF3 melt ([NaF]/[AlF3] = 1.3) at 800 °C it is 0.54 ± 0.04 mol. %. The calculated dissolution rate of zirconium oxide under these conditions in melts based on potassium fluoride and sodium fluoride is 0.022 mol/min and 0.017 mol/min, respectively. The influence of the cationic composition of the medium and the concentrations of additives on the liquidus temperatures of the melts was studied. It has been established that the increase in liquidus and solidus temperatures is facilitated by the addition of zirconium and aluminium oxides, as well as by the replacement of potassium fluoride with sodium fluoride while maintaining the molar ratio of the replaced cations. Analysis of thermal effects by differential scanning calorimetry (DSC) shows that, regardless of the molar ratio of the components, the onset of the thermal effect in melts based on potassium fluoride occurs at a temperature of 542 °C and in the systems with sodium fluoride additives at a temperature of 597 °C. Presumably, this dependence is associated with the melting of the KAlF4 and K2NaAl3F12 phases formed in the melts based on KF-AlF3 and KF-NaF-AlF3, respectively. It has been established that the melting of the KF-AlF3 mixture is accompanied with a mass loss of up to 1.3 wt. %, which is associated with partial evaporation of KAlF4.