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Methylammonium Lead Halide
Methylammonium lead halides (MALHs) are solid compounds with perovskite structure and a chemical formula of CH3NH3PbX3, where X = I, Br or Cl. 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 In the CH3NH3PbX3 cubic crystal structure the methylammonium cation (CH3NH3+) is surrounded by PbX6 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 solubility of MALHs strongly decreases with increased temperature: from 0.8 g/mL at 20 °C to 0.3 g/mL at 80 °C for CH3NH3PbBr3 ...
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Bandgap
In solid-state physics, a band gap, also called an energy gap, is an energy range in a solid where no electronic states can exist. In graphs of the electronic band structure of solids, the band gap generally refers to the energy difference (in electron volts) between the top of the valence band and the bottom of the conduction band in insulators and semiconductors. It is the energy required to promote a valence electron bound to an atom to become a conduction electron, which is free to move within the crystal lattice and serve as a charge carrier to conduct electric current. It is closely related to the 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 crystal lattice, then there is no generated current due to no net charge carrier mobility. However, if some electrons transfer from the ...
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Perovskites
A perovskite is any material with a crystal structure following the formula ABX3, which was first discovered as the mineral called perovskite, which consists of calcium titanium oxide (CaTiO3). The mineral was first discovered in the Ural mountains of Russia by Gustav Rose in 1839 and named after Russian mineralogist L. A. Perovski (1792–1856). 'A' and 'B' are two 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 structure has the B cation in 6-fold coordination, surrounded by an octahedron of anions, and the A cation in 12-fold cuboctahedral coordination. Additional perovskite forms may exist where either/both the A and B sites have a configuration of A1x-1A2x and/or B1y-1B2y and the X may deviate from the ideal coordination configuration as ions within the A and B sites undergo changes in the ...
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Lead(II) Compounds
Lead is a chemical element with the symbol Pb (from the 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 toxic, even in small amounts, especially to children. 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, le ...
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Mass Spectrometry
Mass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are presented as a ''mass spectrum'', a plot of intensity as a function of the mass-to-charge ratio. Mass spectrometry is used in many different fields and is applied to pure samples as well as complex mixtures. A mass spectrum is a type of plot of the ion signal as a function of the mass-to-charge ratio. These spectra are used to determine the elemental or isotopic signature of a sample, the masses of particles and of molecules, and to elucidate the chemical identity or structure of molecules and other chemical compounds. In a typical MS procedure, a sample, which may be solid, liquid, or gaseous, is ionized, for example by bombarding it with a beam of electrons. This may cause some of the sample's molecules to break up into positively charged fragments or simply become positively charged without fragmenting. These ions (fragments) are then separated accordin ...
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X-ray Photoelectron Spectroscopy
X-ray photoelectron spectroscopy (XPS) is a surface-sensitive quantitative spectroscopic technique based on the photoelectric effect that can identify the elements that exist within a material (elemental composition) or are covering its surface, as well as their chemical state, and the overall electronic structure and density of the electronic states in the material. XPS is a powerful measurement technique because it not only shows what elements are present, but also what other elements they are bonded to. The technique can be used in line profiling of the elemental composition across the surface, or in depth profiling when paired with Ion beam#Ion beam etching or sputtering, ion-beam etching. It is often applied to study chemical processes in the materials in their as-received state or after cleavage, scraping, exposure to heat, reactive gasses or solutions, ultraviolet light, or during ion implantation. XPS belongs to the family of Photoemission spectroscopy, photoemission spect ...
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Ammonia
Ammonia is an inorganic compound of nitrogen and hydrogen with the formula . A stable binary hydride, and the simplest pnictogen hydride, ammonia is a colourless gas with a distinct pungent smell. Biologically, it is a common nitrogenous waste, particularly among aquatic organisms, and it contributes significantly to the nutritional needs of terrestrial organisms by serving as a precursor to 45% of the world's food and fertilizers. Around 70% of ammonia 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 pharmaceutical products and is used in many commercial cleaning products. It is mainly collected by downward displacement of both air and water. Although common in nature—both terrestrially and in the outer planets of the Solar System—and in wide use, ammonia is both caust ...
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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 by rice plantations in small amounts. 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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Perovskite Solar Cell
A perovskite solar cell (PSC) is a type of solar cell that includes a perovskite-structured compound, most commonly a hybrid organic–inorganic lead or tin halide-based material as the light-harvesting active layer. Perovskite materials, such as methylammonium lead halides and all-inorganic caesium lead halide, are cheap to produce and simple to manufacture. Efficiencies of laboratory-scale devices using these materials have increased from 3.8% in 2009 to 25.7% in 2021 in single-junction architectures, and, in silicon-based tandem cells, to 29.8%, exceeding the maximum efficiency achieved in single-junction silicon solar cells. Perovskite solar cells have therefore been the fastest-advancing solar technology . With the potential of achieving even higher efficiencies and very low production costs, perovskite solar cells have become commercially attractive. Core problems and research subjects include their short- and long-term stability. Advantages The raw materials used and th ...
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Thermal Conductivity
The thermal conductivity of a material is a measure of its ability to conduct heat. It is commonly denoted by k, \lambda, or \kappa. 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 like Rockwool or Styrofoam. 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 T is the temperature gradient. This is known as Fourier's Law for heat conduction. Although commonly expressed as a scalar, the most general form of th ...
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Methylammonium Halide
Methylammonium halides are organic halides with a formula of , where X is 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. Methylammonium chloride was investi ...
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Perovskite (structure)
A perovskite is any material with a crystal structure following the formula ABX3, which was first discovered as the mineral called perovskite, which consists of calcium titanium oxide (CaTiO3). The mineral was first discovered in the Ural mountains of Russia by Gustav Rose in 1839 and named after Russian mineralogist L. A. Perovski (1792–1856). 'A' and 'B' are two 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 structure has the B cation in 6-fold coordination, surrounded by an octahedron of anions, and the A cation in 12-fold cuboctahedral coordination. Additional perovskite forms may exist where either/both the A and B sites have a configuration of A1x-1A2x and/or B1y-1B2y and the X may deviate from the ideal coordination configuration as ions within the A and B sites undergo changes in thei ...
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