Ab-initio proposal of nature-inspired structure for functionalization Y. J. Sheng, W. A. Zoubi, Y. G. Ko*
Materials Electrochemistry Group, School of Materials Science and Engineering, Yeungnam University, Gyeongsan 38541, Republic of Korea
Abstract
The functionalization of the inorganic surface by growing organic coating plays a critical role in improving the structural stability and catalytic activity of valve metals. However, the formation mechanism of hybrid architecture on the coating surface has remained less understood with respect to the configuration behavior of spatial structures. For this purpose, the present work aims at controlling the nucleation and self-assembly of hybrid architecture on the top of defective inorganic layer (IL) by utilizing micro-arc oxidation (MAO) and deep chemical coating (DCC). Then the self-assembly and chronological formation of 8-hydroxyquinoline (8-HQ) organic structure on the IL would be studied via a combination of experimental and theoretical approaches. 8-HQ is an appropriate candidate for the formation of well-organized 3D architectures due to its electron transfer behavior, which might be the important factor for the coordination and rearrangement of 8-HQ during nucleation and self-assemble. Lastly, catalysis property would be carried out under the exist of UV light to assess its photocatalysis performance.
