Preface

In the present scenario, the research in materials sciences are devoted to enslaving the solid-state materials and utilising their properties in devices to perform desired applications from nanotechnology. The introduction of new materials and manipulation of their exotic properties in device fabrication for advancing technology is crucial, which has urged me to think for this title, “Advanced Materials and Nanosystems: Theory and Experiment”. Nanomaterials and Nanoscience have taken this development in science and engineering to a new height for the well-being of humankind. This topic covers all sectors of research field like Physics, Chemistry, Engineering, Biosciences, etc. This will only be the possible book covering maximum relevant and latest topics both from a theory and the experimental point of view. The present compilation would help many students, scholars, teachers, scientists, etc., in their curriculum development and research work. This book highlighted the latest development and the significant role of different new materials in future technology.

In Chapter 1, Thakur et al., elucidated the theoretical progress of the emergent materials like Carbon and boron nitride nanostructures for hydrogen storage applications from the first-principles simulations. They discussed phenomenological models and explore the essential chemical and physical properties for integration into the applied sciences. The direct combinations of theory and model provide concise pictures in understanding the diverse phenomena of 2D nanomaterials for potential H₂-storage capability, they can thoroughly clarify the critical mechanisms in pristine subsystems and even the composite systems. Interestingly, there exist a lot of theoretical predictions on the stationary ion transport. However, how to develop a unified theoretical framework suitable for the very complicated and active chemical environments in ion-related batteries remains to be urgently solved during the near-future studies. The close relations between the optimal current density and the vanishing/slight/great asymmetries of crystal structures are expected to be a studying focus.

Chapter 2, discusses the prospective future nanomaterials for retinal implant technique. From a medical science point of view, this work would be of great interest in which the authors have discussed the artificial vision for blind patients suffering from retinal diseases with the help of advancement in CMOS technology. The materials such as titanium nitride (TiN), iridium oxide (IrOx), platinum grey, and carbon nanotube (CNT) were employed in recent years in many retinal prosthetic projects. This chapter discusses the important and desired physical properties of nanomaterials viz. conductivity, tensile strength, absorption of photons, and adsorption of water molecules for the subretinal implant technique.

Chapter 3, this chapter talks about the advancement of electrode materials for rechargeable batteries. The demand for high-performance batteries has exploded like never before. To meet such a prospect massive amount of research endeavours in the design and development of high-performance rechargeable batteries are being taken. Starting with such critical analysis, they discuss the fundamental principle that governs the performance of electrochemical devices. They reviewed the state-of-the-art advancement of various types of materials used in the fabrication of electrodes including a description of their structures and storage mechanisms.

Chapter 4, Kumar et al. reported the production of ammonia from Nitrogen Reduction Reaction (NRR) adopting an eco-friendly approach. They design cost-effective catalysts holding on a substrate for the nitrogen reduction reaction. As an alternative, the direct conversion of nitrogen has been carried out by photocatalysis and electrocatalysis. This chapter discusses the challenges faced by researchers to formulate righteous catalysts for the sustainable reduction of nitrogen by studying each of these types with a few examples.

Chapter 5, discusses the nanoparticles in environmental remediation. Nanocomposites offer an exclusive advantage over bulk materials in terms of efficiency on account of their greater surface area, higher reactivity, ease of modification, good dispersion and hence, multi-faceted applications. The various forms of nanocomposites derived from low-cost resources, especially carbon-based materials are of unique interest. Activated carbons offer a unique advantage as the matrix for nanocomposites synthesis, large surface area and porosity offer vivid applications in various fields such as environmental remediation as adsorbents, suitable sorbents in analytical determination of organics, targeted drug delivery, diagnostic agents, fuel cells and sensors, to name a few. The role of nanocomposites as sensors and environmental remediation tools includes adsorption, nano-catalysis, membrane filtration, etc., for pollutants ranging from inorganic ions, heavy metals, pesticides, dyes, anti-bacterial, oil spills and many more.

Chapter 6, reveals the concentration-dependent optical properties of aqueous, ethanol and toluene binary solutions, the refractometry method was used. The direct relation between the chemical bonds of the molecules and their chemical structure is discussed.

Chapter 7, overviews a description of the Nanotechnology-Based Nanomaterials focusing on the developments and challenges of Metal Oxide Nanoparticles such as chromium oxide (Cr₂O₃) nanoparticles, indium oxide nanoparticles (In₂O₃), and magnesium oxide (MgO) nanoparticles. These materials are considered novel materials for biological and smart applications such as antimicrobial, drug delivery systems and cancer therapy. The mechanism of anti-microbial activities of metal oxide nanoparticles is discussed here in detail.

Chapter 8, describes the analysis of the effect of load direction on the stress distribution in orthopaedic implants. Characteristics of implant materials such as rigidity, corrosion, biocompatibility, surface morphology, tissue receptivity, and stability are the key factors that influence the choice of the implant material. The mechanical properties of the implants are one of the significant factors for bone substitution. In this study, 3-dimensional modelling of implant and simulation using the finite element analysis software were incorporated to investigate the effect of load direction on the stress distribution in different orthopaedic implant materials.

Chapter 9, accentuates the latest breakthrough in the catalysis, sensing and wastewater treatment applications of advanced and smart materials. The number of catalytic and sensing operations of advanced and smart materials is discussed in detail. Catalysis and sensing phenomena involve the conversion of obtained signals into a readable format and advanced materials with their exemplary optical, semiconducting or physical properties are studied widely. With the advancement in the latest synthesis and functionalization methods, these advanced materials are becoming nanohybrid systems. It covers the implementation of these nanohybrid systems for catalysis, wastewater treatment and sensing.

Chapter 10, discusses the recent advancement of topological materials. Topological materials are characterized by a unique band topology that is prominently distinct from ordinary metals and insulators. This new type of quantum material exhibits insulating bulk and conducting surface states that are robust against time-reversal invariant perturbations. Bi₂Se₃, Sb₂Te₃ and Bi₂Te₃ were predicted as 3D Topological insulators (TIs) with a single Dirac cone at the surface state. For application purposes, however, bulk conductivity due to Se vacancy in Bi₂Se₃ or anti-site defects in Bi₂Te₃ has been a challenging issue. To achieve an enhanced surface conductivity over the bulk, nanomaterials are irreplaceable. Nanostructures' high surface to volume ratio provides a good platform for investigating the topological existence of surface states.

Chapter 11, is a final chapter that provides information about the hollow nanostructure materials, the most studied topics in current nanoscience research. These hollow structures can be in the form of nanospheres, nanocages, nanorods, nano boxes, single-layered, multi-layered, etc. All these variations in hollow structures like carbon buckyball, nanotubes, etc. open up several applications in various fields of research from biomedicines to optoelectronics. The observed properties of a material in a hollow shape, like better conductivity, trapping capacity, and catalytic effect, etc. This chapter covers the basic information about different kinds of hollow structures like carbon buckyball, variations in their properties along with recent developments, and their applications. Also, includes detailed research about buckyball structures of ZnO, ZnS, and Al-doped ZnO using simulations, with their comparative study and future applications.

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