Comparative study on crystallographic representation of transition metal oxides polymorphs nanomaterials using VESTA software: Case study on Fe_2O_3 and TiO_2

摘要

Over the past decades, a rapidly increasing interest towards miniaturization of electronic devices, structures with a size in the nanometer realm have perked up intensive and worldwide research activities in transition metal oxides nanostructures (TMONs). Various TMONs (NiO, CuO, ZnO, TiO_2, ZrO_2, VO_2, V_2O5, Fe_2O_3 etc.) have excellent properties such as unique crystal structure, multi dimensionality and quantum size confinement effects. Currently they are the most promising oxides with Polymorphism (materials with same composition and different crystal structures) property and applied as sensors, impurity separators and electronic components, in magnetic storage, recording media, as well as antimicrobial agents for diagnosis of diseases, drug delivery systems, sun screens and ceramics in biomedical and pharmaceutical arena. Both experimental and theoretical aspects of highly ordered TMONs (in particular Fe_2O_3 and TiO_2) assemblies have received a great deal of attention in recent years. With the advancement of nanoscience and nanotechnology, the present work comprise of crystallographic representation of polymorphs Fe_2O_3 (α-Fe_2O_3) and TiO_2 (anatase-, brookite-, and rutile-TiO_2) nanomaterials using VESTA software. Herein, we constructed the visualization of different parameters in terms of crystal structures and lattice planes for transition metal oxide polymorphs material in particular Fe_2O_3 and TiO_2. By using VESTA software, we calculated the bond-length of iron (Fe) and titanium (Ti) materials with oxygen (O) and the calculated bond-length is in angstrom. This research work attempts to mainly elaborate the crystallographic information of Fe_2O_3 and TiO_2 polymorphs and their plausible potentials in bio-safety, health and drug delivery applications.