Фотореакції макроциклічних сполук на поверхні вюрциту (1010) – взаємовплив конформації та електронних ефектів

• Date: 2019
• Main Authors: Golovanova, V. V., Nazarchuk, B. V., Postnyi, O. V., Rantala, T. T., Tkachenko, N. V., Golovanov, V. V.
• Format: Article
• Language: English
• Published: Publishing house "Academperiodika" 2019
• Online Access: https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018114
• Journal Title: Ukrainian Journal of Physics

Macrocyclic dyes such as phthalocyanine and porphyrin molecules are modeled on (1010) wurzite surfaces using the DFT and molecular dynamics approaches. It is found that the single dye anchored on the wurtzite surface stabilizes in an inclined geometry with its core facing the surface at a tilting an...