Preface

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

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.

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

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 knowledge sources.

**II**

**Chapter 6 99**

Titanium Aluminide Coating: Structural and Elastic Properties

by DFT Approach *by Ouahiba Ouadah*

> **Sajjad Haider** Department of Chemical Engineering, King Saud University, Riyadh, Saud Arabia

**Adnan Haider** Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Punjab, Pakistan

**1**

Section 1

Metal Oxides

Section 1 Metal Oxides

**3**

**Chapter 1**

Oxides

*and Atif Ashfaq*

**Abstract**

**1. Introduction**

Rational Design and Advance

*Muhammad Ikram, Ali Raza, Jahan Zeb Hassan,* 

*Arslan Ahmed Rafi, Asma Rafiq, Shehnila Altaf* 

electrochemical energy storage methods are also displayed.

lithium-ion batteries, gas−sensing, photovoltaics

**Keywords:** transition−metal oxides nanostructures, oxides structures,

One of the motivating classes of material comprises transition metal oxides (TMO) that display an assortment of properties and structure as well (0–3). The nature of bonding present among metal and oxygen can be fluctuating from partially ionic to extremely covalent (or metallic). Owing to possess outer d-electron nature the properties of TMO are unusual. The remarkable wonder of TMO is its phenomenal array of electronic as well as magnetic properties. Therefore, oxides exhibiting metallic behavior such as RuO2, LaNiO3, and ReO3 are found at one class while oxides displaying extremely insulating properties including BaTiO3 are recognized as the other one [1, 2]. TMOs can be documented as the class of oxides that comprises of cation which has incompletely or partially filled d shell. This nature is due to their marvelous feature as they are motivating and scientifically supreme category of versatile solids. This class contains a wide-range of color, magnetic, and electric properties along with most researched classes to progress their

Applications of Transition Metal

An attractive class of transition metal oxides (TMOs) have been freshly concerned with increasing research interest worldwide concerning stoichiometric and non-stoichiometric configurations as well, that usually exhibits a spinel structure. These TMOs will contribute substantial roles in the production of eco-friendly and low-cost energy conversion (storage) devices owing to their outstanding electrochemical properties. The current chapter involves the summary of the latest research and fundamental advances in the effectual synthesis and rational design of TMOs nanostructures with meticulous size, composition, shape, and micro as well as nanostructures. Also applications of TMOs such as effective photocatalyst, gas sensing, biomedical, and as an electrode material that can be utilized for lithium-ion batteries, and photovoltaic applications. Additionally, certain future tendencies and visions for the development of next-generation advanced TMOs for
