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Zinc oxide is an inorganic compound with the formula Zn O.It is a white powder which is insoluble in water. ZnO is used as an additive in numerous materials and products including cosmetics, food supplements, rubbers, plastics, ceramics, glass, cement, lubricants, [12] paints, sunscreens, ointments, adhesives, sealants, pigments, foods, batteries, ferrites, fire retardants, semi conductors ...
Unit cell definition using parallelepiped with lengths a, b, c and angles between the sides given by α, β, γ [1]. A lattice constant or lattice parameter is one of the physical dimensions and angles that determine the geometry of the unit cells in a crystal lattice, and is proportional to the distance between atoms in the crystal.
It is a measure of the cohesive forces that bind ionic solids. The size of the lattice energy is connected to many other physical properties including solubility, hardness, and volatility. Since it generally cannot be measured directly, the lattice energy is usually deduced from experimental data via the Born–Haber cycle. [1]
ZnO can occupy multiple types of lattices, but is often found in a hexagonal wurtzite structure. In this lattice all of the octahedral sites are empty, hence there is space for intrinsic defects, Zn interstitials, and also external dopants to occupy gaps in the lattice, [1] even when the lattice is at a nanoscale. Zn interstitials occur when ...
The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
The calculated lattice energy gives a good estimation for the Born–Landé equation; the real value differs in most cases by less than 5%. Furthermore, one is able to determine the ionic radii (or more properly, the thermochemical radius) using the Kapustinskii equation when the lattice energy is known.
The constants listed here are known values of physical constants expressed in SI units; that is, physical quantities that are generally believed to be universal in nature and thus are independent of the unit system in which they are measured. Many of these are redundant, in the sense that they obey a known relationship with other physical ...
A force field is the collection of parameters to describe the physical interactions between atoms or physical units (up to ~10 8) using a given energy expression. The term force field characterizes the collection of parameters for a given interatomic potential (energy function) and is often used within the computational chemistry community. [ 50 ]