Енергія зв'язку СО з чистою та модифікованою киснем поверхнею Мо(110)

• Date: 2010
• Main Author: Petrova, N. V.
• Format: Article
• Language: English
• Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2010
• Online Access: https://www.cpts.com.ua/index.php/cpts/article/view/26
• Journal Title: Chemistry, Physics and Technology of Surface

The interaction of CO molecules with clean and oxygen-modified Mo(110) surface has been investigated by means of density functional (DFT) calculations. It has been found that on both clean and oxygen-covered Mo(110) surfaces CO molecules are tilted with respect to the normal to the surface and adsor...