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Nevertheless, anatase is often the first titanium dioxide phase to form in many processes due to its lower surface energy, with a transformation to rutile taking place at elevated temperatures. [7] Although the degree of symmetry is the same for both anatase and rutile phases, there is no relation between the interfacial angles of the two ...
Efforts to develop functional photocatalysts often emphasize extending exciton lifetime, improving electron-hole separation using diverse approaches that may rely on structural features such as phase hetero-junctions (e.g. anatase-rutile interfaces), noble-metal nanoparticles, silicon nanowires and substitutional cation doping. [23]
In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities , such as bond length or bond angle .
Chemical graph theory is the topology branch of mathematical chemistry which applies graph theory to mathematical modelling of chemical phenomena. [1] The pioneers of chemical graph theory are Alexandru Balaban, Ante Graovac, Iván Gutman, Haruo Hosoya, Milan Randić and Nenad Trinajstić [2] (also Harry Wiener and others). In 1988, it was ...
A generic phase diagram with unspecified axes; the invariant point is marked in red, metastable extensions labeled in blue, relevant reactions noted on stable ends of univariant lines. This rule is geometrically sound in the construction of phase diagrams since for every metastable reaction, there must be a phase that is relatively stable. This ...
Rutile is an oxide mineral composed of titanium dioxide (TiO 2), the most common natural form of TiO 2. Rarer polymorphs of TiO 2 are known, including anatase, akaogiite, and brookite. Rutile has one of the highest refractive indices at visible wavelengths of any known crystal and also exhibits a particularly large birefringence and high ...
In this case, the heat of formation (Δ f H) of the metal formate salt was used for the x axis because studies showed that the reaction intermediate was a surface formate. For the y axis, the temperature at which the reaction reaches a specific rate was used (the y axis is plotted in reverse to preserve the conventional "volcano" shape).
The Ellingham diagram plots the Gibbs free energy change (ΔG) for each oxidation reaction as a function of temperature. For comparison of different reactions, all values of ΔG refer to the reaction of the same quantity of oxygen, chosen as one mole O (1 ⁄ 2 mol O 2) by some authors [2] and one mole O 2 by others. [3] The diagram shown ...