Abstract Metal-free phthalocyanine (H 2 Pc) has been widely used as photosensitive semiconductors in the organic optoelectronics field because of its unique planar molecular structure and high photocarriers’ generation efficiency. Herein, this paper related to a new facile efficient one-step method for preparing specific crystal form H Pc with crystallinity through ball-milling process, which α...

Crystal structure prediction calculations have been performed for the a-amino acid alanine with the intention of developing reliable computational methods for flexible molecules and, specifically, to study the crystal packing of the more flexible amino acids. For the a-amino acids, the density functional theory geometry optimised conformations of the isolated molecules are considerably differen...

ticl4, ammonia, inorganic salts as raw material, nanometer composite-crystal tio2 powders were synthesized by two-step chemical method. precursors were crystallized with different phase and stable composite-crystal tio2 with anatase and rutile phase was prepared at low temperature. quantitative control of crystal phase was realized. remarkable factors including reaction ph value, reaction time,...