Активацiя каталiтичних властивостей нанокластерiв металiв

• Date: 2018
• Main Authors: Balabai, R. M., Gorbanyuk, T. I., Litovchenko, V. G., Chernikova, H. N.
• Format: Article
• Language: English; Ukrainian
• Published: Publishing house "Academperiodika" 2018
• Subjects: функцiонал електронної густини; псевдопотенцiал; нанокаталiзатори; металiчнi кластери; активацiя
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018502
• Journal Title: Ukrainian Journal of Physics

Within the methods of electron density functional and ab initio pseudopotential, we have obtained the spatial distributions of the density of valence electrons and the electron energy spectra for metallic and oxidized small clusters from the atoms of Cu, Ni, and Co with the aim to determine the mech...