|
Quantum-chemical simulation of the electronic structure and chemical bonding in the new ‘superstoichiometric’ titanium carbonitride Ti2CN4
M. V. Ryzhkov, A. L. Ivanovskii
Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russian Federation
Аннотация:
The electronic properties and the nature of interatomic interactions in the new 'superstoichiometric’ metal-like titanium carbonitride Ti2CN4 with the spinel structure have been predicted using the ab initio DFT-DV calculaions of large clusters.
Образец цитирования:
M. V. Ryzhkov, A. L. Ivanovskii, “Quantum-chemical simulation of the electronic structure and chemical bonding in the new ‘superstoichiometric’ titanium carbonitride Ti2CN4”, Mendeleev Commun., 11:5 (2001), 184–186
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc4284 https://www.mathnet.ru/rus/mendc/v11/i5/p184
|
|
Обратная связь: