A multi-wall carbon nanotube–molecular semiconductor composite for bi-layer organic solar cells
A water-soluble composite of oxidised multi-wall carbon nanotubes and sulphonic acid sodium salt derivatised copper phthalocyanine for application in bi-layer organic solar cells is reported. Measurements of the topography of thin films of this novel material and of the valence electronic structure of its two components are used to rationalise the photovoltaic characteristics of a model organic heterojunction utilising the nanocomposite as the hole-extracting electrode and donor layer.
Abstract The first-principles calculations have been performed to study the structural, elastic, mechanical and electronic properties of cubic OsTM (TM = Ti, Zr, and Hf) and hexagonal TMOs 2 compounds. The calculated structural parameters are in good agreement with the available experimental data. To the best of our knowledge, the elastic constants of OsTM and TMOs 2 compounds have been obtained for the first time. The calculated elastic and mechanical properties show that these compounds have no superhard character. These compounds are mechanically stable and behave in ductile manner. The electronic band structures and densities of states of OsTM and TMOs 2 compounds have been analysed. OsTM has a mixture of covalent-ionic and metallic character, and TMOs 2 has strong metallic nature.