Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Lithium–air batteryThe lithium–air battery (Li–air) is a metal–air electrochemical cell or battery chemistry that uses oxidation of lithium at the anode and reduction of oxygen at the cathode to induce a current flow. Pairing lithium and ambient oxygen can theoretically lead to electrochemical cells with the highest possible specific energy. Indeed, the theoretical specific energy of a non-aqueous Li–air battery, in the charged state with Li2O2 product and excluding the oxygen mass, is ~40.1 MJ/kg = 11.14 kWh/kg of lithium.
Optimal controlOptimal control theory is a branch of mathematical optimization that deals with finding a control for a dynamical system over a period of time such that an objective function is optimized. It has numerous applications in science, engineering and operations research. For example, the dynamical system might be a spacecraft with controls corresponding to rocket thrusters, and the objective might be to reach the moon with minimum fuel expenditure.
Lithium-ion batteryA lithium-ion or Li-ion battery is a type of rechargeable battery which uses the reversible reduction of lithium ions to store energy. The negative electrode of a conventional lithium-ion cell is typically graphite, a form of carbon. This negative electrode is sometimes called the anode as it acts as an anode during discharge. The positive electrode is typically a metal oxide; the positive electrode is sometimes called the cathode as it acts as a cathode during discharge.
Lithium iron phosphateLithium iron phosphate or lithium ferro-phosphate (LFP) is an inorganic compound with the formula LiFePO4. It is a gray, red-grey, brown or black solid that is insoluble in water. The material has attracted attention as a component of lithium iron phosphate batteries, a type of Li-ion battery. This battery chemistry is targeted for use in power tools, electric vehicles, solar energy installations and more recently large grid-scale energy storage.
Thematic mapA thematic map is a type of map that portrays the geographic pattern of a particular subject matter (theme) in a geographic area. This usually involves the use of map symbols to visualize selected properties of geographic features that are not naturally visible, such as temperature, language, or population. In this, they contrast with general reference maps, which focus on the location (more than the properties) of a diverse set of physical features, such as rivers, roads, and buildings.
Period 2 elementA period 2 element is one of the chemical elements in the second row (or period) of the periodic table of the chemical elements. The periodic table is laid out in rows to illustrate recurring (periodic) trends in the chemical behavior of the elements as their atomic number increases; a new row is started when chemical behavior begins to repeat, creating columns of elements with similar properties. The second period contains the elements lithium, beryllium, boron, carbon, nitrogen, oxygen, fluorine, and neon.
BerylBeryl (ˈbɛrəl ) is a mineral composed of beryllium aluminium silicate with the chemical formula Be3Al2Si6O18. Well-known varieties of beryl include emerald and aquamarine. Naturally occurring, hexagonal crystals of beryl can be up to several meters in size, but terminated crystals are relatively rare. Pure beryl is colorless, but it is frequently tinted by impurities; possible colors are green, blue, yellow, pink, and red (the rarest). It is an ore source of beryllium.
Alkaline earth metalThe alkaline earth metals are six chemical elements in group 2 of the periodic table. They are beryllium (Be), magnesium (Mg), calcium (Ca), strontium (Sr), barium (Ba), and radium (Ra). The elements have very similar properties: they are all shiny, silvery-white, somewhat reactive metals at standard temperature and pressure. Together with helium, these elements have in common an outer s orbital which is full— that is, this orbital contains its full complement of two electrons, which the alkaline earth metals readily lose to form cations with charge +2, and an oxidation state of +2.
HeteroatomIn chemistry, a heteroatom () is, strictly, any atom that is not carbon or hydrogen. In practice, the term is usually used more specifically to indicate that non-carbon atoms have replaced carbon in the backbone of the molecular structure. Typical heteroatoms are nitrogen (N), oxygen (O), sulfur (S), phosphorus (P), chlorine (Cl), bromine (Br), and iodine (I), as well as the metals lithium (Li) and magnesium (Mg). It can also be used with highly specific meanings in specialised contexts.
