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.
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.
Bond lengthIn molecular geometry, bond length or bond distance is defined as the average distance between nuclei of two bonded atoms in a molecule. It is a transferable property of a bond between atoms of fixed types, relatively independent of the rest of the molecule. Bond length is related to bond order: when more electrons participate in bond formation the bond is shorter. Bond length is also inversely related to bond strength and the bond dissociation energy: all other factors being equal, a stronger bond will be shorter.
Rechargeable batteryA rechargeable battery, storage battery, or secondary cell (formally a type of energy accumulator), is a type of electrical battery which can be charged, discharged into a load, and recharged many times, as opposed to a disposable or primary battery, which is supplied fully charged and discarded after use. It is composed of one or more electrochemical cells. The term "accumulator" is used as it accumulates and stores energy through a reversible electrochemical reaction.
Local-density approximationLocal-density approximations (LDA) are a class of approximations to the exchange–correlation (XC) energy functional in density functional theory (DFT) that depend solely upon the value of the electronic density at each point in space (and not, for example, derivatives of the density or the Kohn–Sham orbitals). Many approaches can yield local approximations to the XC energy. However, overwhelmingly successful local approximations are those that have been derived from the homogeneous electron gas (HEG) model.
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.
Bond energyIn chemistry, bond energy (BE), also called the mean bond enthalpy or average bond enthalpy is a measure of bond strength in a chemical bond. IUPAC defines bond energy as the average value of the gas-phase bond-dissociation energy (usually at a temperature of 298.15 K) for all bonds of the same type within the same chemical species. The bond dissociation energy (enthalpy) is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D).
Lithium–sulfur batteryThe lithium–sulfur battery (Li–S battery) is a type of rechargeable battery. It is notable for its high specific energy. The low atomic weight of lithium and moderate atomic weight of sulfur means that Li–S batteries are relatively light (about the density of water). They were used on the longest and highest-altitude unmanned solar-powered aeroplane flight (at the time) by Zephyr 6 in August 2008. Lithium–sulfur batteries may displace lithium-ion cells because of their higher energy density and reduced cost.
Pi bondIn chemistry, pi bonds (π bonds) are covalent chemical bonds, in each of which two lobes of an orbital on one atom overlap with two lobes of an orbital on another atom, and in which this overlap occurs laterally. Each of these atomic orbitals has an electron density of zero at a shared nodal plane that passes through the two bonded nuclei. This plane also is a nodal plane for the molecular orbital of the pi bond. Pi bonds can form in double and triple bonds but do not form in single bonds in most cases.
Lithium metal batteryLithium metal batteries are primary batteries that have metallic lithium as an anode. These types of batteries are also referred to as lithium-metal batteries after lithium-ion batteries had been invented. Most lithium metal batteries are non-rechargeable. However, rechargeable lithium metal batteries are also under development. Since 2007, Dangerous Goods Regulations differentiate between lithium metal batteries (UN 3090) and lithium-ion batteries (UN 3480). They stand apart from other batteries in their high charge density and high cost per unit.
