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pro vyhledávání: '"Assadi, Mohammed H. N."'
Publikováno v:
Computational Mechanics 50,(2) 185-194 (2012)
Ab-initio density functional theory (DFT) calculations of the relative stability of anatase and rutile polymorphs of TiO2 were carried using all-electron atomic orbitals methods with local density approximation (LDA). The rutile phase exhibited a mod
Externí odkaz:
http://arxiv.org/abs/1210.7555
