Methylammonium Lead Halide
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Methylammonium Lead Halide
Methylammonium lead halides (MALHs) are solid compounds with perovskite structure and a chemical formula of , where X = Cl, Br or I. They have potential applications in solar cells, lasers, light-emitting diodes, photodetectors, radiation detectors, scintillator, magneto-optical data storage and hydrogen production. Properties and synthesis The first MALHs to be synthesized were the methylammonium derivatives and . Their potential in the area of energy conversion wasn't realized until decades later. In the cubic crystal structure the methylammonium cation () is surrounded by octahedra. The X ions are not fixed and can migrate through the crystal with an activation energy of 0.6 eV; the migration is vacancy assisted. The methylammonium cations can rotate within their cages. At room temperature the ions have the CN axis aligned towards the face directions of the unit cells and the molecules randomly change to another of the six face directions on a 3 ps time scale. The solub ...
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Activation Energy
In the Arrhenius model of reaction rates, activation energy is the minimum amount of energy that must be available to reactants for a chemical reaction to occur. The activation energy (''E''a) of a reaction is measured in kilojoules per mole (kJ/mol) or kilocalories per mole (kcal/mol). Activation energy can be thought of as a magnitude of the potential barrier (sometimes called the energy barrier) separating minima of the potential energy surface pertaining to the initial and final thermodynamic state. For a chemical reaction to proceed at a reasonable rate, the temperature of the system should be high enough such that there exists an appreciable number of molecules with translational energy equal to or greater than the activation energy. The term "activation energy" was introduced in 1889 by the Swedish scientist Svante Arrhenius. Other uses Although less commonly used, activation energy also applies to nuclear reactions and various other physical phenomena. Temperature ...
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Perovskites
A perovskite is a crystalline material of formula ABX3 with a crystal structure similar to that of Perovskite, the mineral perovskite, this latter consisting of calcium titanium oxide (CaTiO3). The mineral was first discovered in the Ural Mountains, Ural mountains of Russia by Gustav Rose in 1839 and named after Russian mineralogist L. A. Perovski (1792–1856). In addition to being one of the most abundant structural families, perovskites have wide-ranging properties and applications. Structure Perovskite structures are adopted by many Chemical compound, compounds that have the chemical formula ABX3. 'A' and 'B' are positively charged ions (i.e. cations), often of very different sizes, and X is a negatively charged ion (an anion, frequently oxide) that bonds to both cations. The 'A' atoms are generally larger than the 'B' atoms. The ideal Cubic crystal system, cubic structure has the B cation in 6-fold coordination, surrounded by an octahedron of anions, and the A cation in 1 ...
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Lead(II) Compounds
Lead () is a chemical element; it has symbol Pb (from Latin ) and atomic number 82. It is a heavy metal that is denser than most common materials. Lead is soft and malleable, and also has a relatively low melting point. When freshly cut, lead is a shiny gray with a hint of blue. It tarnishes to a dull gray color when exposed to air. Lead has the highest atomic number of any stable element and three of its isotopes are endpoints of major nuclear decay chains of heavier elements. Lead is a relatively unreactive post-transition metal. Its weak metallic character is illustrated by its amphoteric nature; lead and lead oxides react with acids and bases, and it tends to form covalent bonds. Compounds of lead are usually found in the +2 oxidation state rather than the +4 state common with lighter members of the carbon group. Exceptions are mostly limited to organolead compounds. Like the lighter members of the group, lead tends to bond with itself; it can form chains and polyh ...
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Ammonia
Ammonia is an inorganic chemical compound of nitrogen and hydrogen with the chemical formula, formula . A Binary compounds of hydrogen, stable binary hydride and the simplest pnictogen hydride, ammonia is a colourless gas with a distinctive pungent smell. It is widely used in fertilizers, refrigerants, explosives, cleaning agents, and is a precursor for numeous chemicals. Biologically, it is a common nitrogenous waste, and it contributes significantly to the nutritional needs of terrestrial organisms by serving as a precursor to fertilisers. Around 70% of ammonia produced industrially is used to make fertilisers in various forms and composition, such as urea and diammonium phosphate. Ammonia in pure form is also applied directly into the soil. Ammonia, either directly or indirectly, is also a building block for the synthesis of many chemicals. In many countries, it is classified as an List of extremely hazardous substances, extremely hazardous substance. Ammonia is toxic, cau ...
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Methyl Iodide
Iodomethane, also called methyl iodide, and commonly abbreviated "MeI", is the chemical compound with the formula CH3I. It is a dense, colorless, volatile liquid. In terms of chemical structure, it is related to methane by replacement of one hydrogen atom by an atom of iodine. It is naturally emitted in small amounts by rice plantations. It is also produced in vast quantities estimated to be greater than 214,000 tons annually by algae and kelp in the world's temperate oceans, and in lesser amounts on land by terrestrial fungi and bacteria. It is used in organic synthesis as a source of methyl groups. Preparation and handling Iodomethane is formed via the exothermic reaction that occurs when iodine is added to a mixture of methanol with red phosphorus. The iodinating reagent is phosphorus triiodide that is formed ''in situ:'' :3 CH3OH + PI3 → 3 CH3I + H2PO3H Alternatively, it is prepared from the reaction of dimethyl sulfate with potassium iodide in the presence of ...
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Thermal Conductivity
The thermal conductivity of a material is a measure of its ability to heat conduction, conduct heat. It is commonly denoted by k, \lambda, or \kappa and is measured in W·m−1·K−1. Heat transfer occurs at a lower rate in materials of low thermal conductivity than in materials of high thermal conductivity. For instance, metals typically have high thermal conductivity and are very efficient at conducting heat, while the opposite is true for insulating materials such as mineral wool or Styrofoam. Metals have this high thermal conductivity due to free electrons facilitating heat transfer. Correspondingly, materials of high thermal conductivity are widely used in heat sink applications, and materials of low thermal conductivity are used as thermal insulation. The reciprocal of thermal conductivity is called thermal resistivity. The defining equation for thermal conductivity is \mathbf = - k \nabla T, where \mathbf is the heat flux, k is the thermal conductivity, and \nabla ...
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Bandgap
In solid-state physics and solid-state chemistry, a band gap, also called a bandgap or energy gap, is an energy range in a solid where no electronic states exist. In graphs of the electronic band structure of solids, the band gap refers to the energy difference (often expressed in electronvolts) between the top of the valence band and the bottom of the conduction band in Electrical insulation, insulators and semiconductors. It is the energy required to promote an electron from the valence band to the conduction band. The resulting conduction-band electron (and the electron hole in the valence band) are free to move within the crystal lattice and serve as charge carriers to conduct electric current. It is closely related to the HOMO/LUMO, HOMO/LUMO gap in chemistry. If the valence band is completely full and the conduction band is completely empty, then electrons cannot move within the solid because there are no available states. If the electrons are not free to move within the ...
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Methylammonium Halide
Methylammonium halides are organic halides with a formula of , where X is F for methylammonium fluoride, Cl for methylammonium chloride, Br for methylammonium bromide, or I for methylammonium iodide. Generally they are white or light colored powders. Applications These salts are components of perovskite solar cells, which are being evaluated for commercialization. The iodide is the most commonly used. Magneto-optical data storage concepts are also being testing based on various ammonium halides. Production These compounds are usually prepared by combining equimolar amounts of methylamine with the appropriate halide acid. For instance methylammonium iodide is prepared by combining methylamine and hydrogen iodide at 0 °C for 120 minutes followed by evaporation at 60 °C, yielding crystals of methylammonium iodide. : Crystallography These compounds' crystallography has been the subject of much investigation. J.S. Hendricks published an early paper on them in 1928. M ...
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