Contents


**Chapter 6 99** Titanium Aluminide Coating: Structural and Elastic Properties by DFT Approach *by Ouahiba Ouadah*

Preface

This book explores synthesis, structural changes, properties, and potential applications of transition metal (TM) compounds. It is categorized into three

The first section discusses metal oxides. The synthesis of TM compounds dates back 135 years when pentoxide vanadium (V2O5) was synthesized as a gel. Since then, the synthesis of V2O5 has piqued the interest of scientists and technologists in a variety of fields. Several different structures of V2O5 have been obtained using a variety of methods. These include sol-gel, hydrothermal/solvothermal synthesis, electrospinning, chemical vapor deposition (CVD), physical vapor deposition (PVD), template-based methods, reverse micelle techniques, Pechini method, and electrochemical deposition. The development of various V2O5 structures and phases has resulted in a lamellar structure with large interlayer spacing, strong chemical

and thermal stability, and thermoelectric and electrochromic properties.

power transmission, bio-magnetism, and high magnetic field tokamaks.

The second section describes the effect of TM compounds on structural, dielectric properties and high-temperature superconductors. The solid-state approach is considered the easiest synthetic approach. Furthermore, the section also discusses the use of novel high-temperature superconductors in research applications such as

The third and last section discusses TM-doped nanocrystals (NCs) and how doping and concentration influence applications and biocompatibility. TM-doped NCs result in a strong interaction of sp-d exchange between the NCs' charge carriers and the unpaired electrons of the TM, generating new and exciting properties. This section also covers the stability, elastic, and electronic properties of titanium aluminide compounds systematically studied by first-principle calculation.

This book is useful for students and teachers alike for its thoughtful account of core concepts, as well as a source of interpretations and references to additional

**Sajjad Haider**

**Adnan Haider**

King Saud University, Riyadh, Saud Arabia

Department of Chemical Engineering,

Department of Biological Sciences, National University of Medical Sciences,

Rawalpindi, Punjab, Pakistan

sections.

knowledge sources.
