Friday, June 24, 2016

Quantum calculations broaden the understanding of crystal catalysts

Recently, scientists advanced in explaining the properties of rutile TiO2 -- a promising photocatalyst, which may be used to produce eco-friendly fuel and to neutralize harmful compounds Using a supercomputer, researchers managed to model the behavior of surface layers of the crystal. This has led to a number of interesting discoveries, thus significantly broadening the current understanding of photocatalysis and bringing closer its practical applications.

from Geochemistry News -- ScienceDaily

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