Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Crystalline siliconCrystalline silicon or (c-Si) Is the crystalline forms of silicon, either polycrystalline silicon (poly-Si, consisting of small crystals), or monocrystalline silicon (mono-Si, a continuous crystal). Crystalline silicon is the dominant semiconducting material used in photovoltaic technology for the production of solar cells. These cells are assembled into solar panels as part of a photovoltaic system to generate solar power from sunlight. In electronics, crystalline silicon is typically the monocrystalline form of silicon, and is used for producing microchips.
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.
Amorphous siliconAmorphous silicon (a-Si) is the non-crystalline form of silicon used for solar cells and thin-film transistors in LCDs. Used as semiconductor material for a-Si solar cells, or thin-film silicon solar cells, it is deposited in thin films onto a variety of flexible substrates, such as glass, metal and plastic. Amorphous silicon cells generally feature low efficiency.
Protein secondary structureProtein secondary structure is the local spatial conformation of the polypeptide backbone excluding the side chains. The two most common secondary structural elements are alpha helices and beta sheets, though beta turns and omega loops occur as well. Secondary structure elements typically spontaneously form as an intermediate before the protein folds into its three dimensional tertiary structure. Secondary structure is formally defined by the pattern of hydrogen bonds between the amino hydrogen and carboxyl oxygen atoms in the peptide backbone.
User interfaceIn the industrial design field of human–computer interaction, a user interface (UI) is the space where interactions between humans and machines occur. The goal of this interaction is to allow effective operation and control of the machine from the human end, while the machine simultaneously feeds back information that aids the operators' decision-making process. Examples of this broad concept of user interfaces include the interactive aspects of computer operating systems, hand tools, heavy machinery operator controls and process controls.
International System of UnitsThe International System of Units, internationally known by the abbreviation SI (for Système International), is the modern form of the metric system and the world's most widely used system of measurement. Established and maintained by the General Conference on Weights and Measures (CGPM), it is the only system of measurement with an official status in nearly every country in the world, employed in science, technology, industry, and everyday commerce.
MetalloidA metalloid is a type of chemical element which has a preponderance of properties in between, or that are a mixture of, those of metals and nonmetals. There is no standard definition of a metalloid and no complete agreement on which elements are metalloids. Despite the lack of specificity, the term remains in use in the literature of chemistry. The six commonly recognised metalloids are boron, silicon, germanium, arsenic, antimony and tellurium. Five elements are less frequently so classified: carbon, aluminium, selenium, polonium and astatine.
Propylene oxidePropylene oxide is an acutely toxic and carcinogenic organic compound with the molecular formula CH3CHCH2O. This colourless volatile liquid with an odour similar to ether, is produced on a large scale industrially. Its major application is its use for the production of polyether polyols for use in making polyurethane plastics. It is a chiral epoxide, although it is commonly used as a racemic mixture. This compound is sometimes called 1,2-propylene oxide to distinguish it from its isomer 1,3-propylene oxide, better known as oxetane.
Schizotypal personality disorderSchizotypal personality disorder (StPD or SPD), also known as schizotypal disorder, is a cluster A personality disorder. The Diagnostic and Statistical Manual of Mental Disorders (DSM) classification describes the disorder specifically as a personality disorder characterized by thought disorder, paranoia, a characteristic form of social anxiety, derealization, transient psychosis, and unconventional beliefs.
Angle-resolved photoemission spectroscopyAngle-resolved photoemission spectroscopy (ARPES) is an experimental technique used in condensed matter physics to probe the allowed energies and momenta of the electrons in a material, usually a crystalline solid. It is based on the photoelectric effect, in which an incoming photon of sufficient energy ejects an electron from the surface of a material. By directly measuring the kinetic energy and emission angle distributions of the emitted photoelectrons, the technique can map the electronic band structure and Fermi surfaces.
Salt (chemistry)In chemistry, a salt is a chemical compound consisting of an ionic assembly of positively charged cations and negatively charged anions, which results in a compound with no net electric charge. A common example is table salt, with positively charged sodium ions and negatively charged chloride ions. The component ions in a salt compound can be either inorganic, such as chloride (Cl−), or organic, such as acetate (CH3COO−). Each ion can be either monatomic, such as fluoride (F−), or polyatomic, such as sulfate (SO42−).
