Ge and III–V compounds, semiconductors with high carrier mobilities, are candidates to replace Si as the channel in MOS devices. 2D materials – like graphene and MoS_2 – are also envisioned to replace Si in the future. This thesis is devoted to the first-principles modeling of the vibrational properties of these novel channel materials. The first part of the thesis focuses on the vibrational properties of various oxides on Ge, making it possible to identify the vibrational signature of specific defects which could hamper the proper functioning of MOSFETs. The second part of the thesis reports on the electronic and vibrational properties of novel 2D materials like silicene and germanene, the Si and Ge 2D counterparts of graphene. The interaction of these 2D materials with metallic and non-metallic substrates is investigated. It was predicted, for the first time, and later experimentally confirmed, that silicene could be grown on a non-metallic template like MoS_2, a breakthrough that could open the door to the possible use of silicene in future nanoelectronic devices.

Nano-scale materials have unique electronic, optical, and chemical properties that make them attractive for a new generation of devices. In the second edition of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics, and Energy Applications, leading experts review the latest advances in research in the understanding, prediction, and methods of production of current and emerging nanomaterials for key applications. The chapters in the first half of the book cover applications of different modeling techniques, such as Green's function-based multiscale modeling and density functional theory, to simulate nanomaterials and their structures, properties, and devices. The chapters in the second half describe the characterization of nanomaterials using advanced material characterization techniques, such as high-resolution electron microscopy, near-field scanning microwave microscopy, confocal micro-Raman spectroscopy, thermal analysis of nanoparticles, and applications of nanomaterials in areas such as electronics, solar energy, catalysis, and sensing. The second edition includes emerging relevant nanomaterials, applications, and updated modeling and characterization techniques and new understanding of nanomaterials. - Covers the close connection between modeling and experimental methods for studying a wide range of nanomaterials and nanostructures - Focuses on practical applications and industry needs through a solid outlining of the theoretical background - Includes emerging nanomaterials and their applications in spintronics and sensing

Recent Advances in Analytical Techniques is a series of updates in techniques used in chemical analysis. Each volume presents information about a selection of analytical techniques. Readers will find information about developments in analytical methods such as chromatography, electrochemistry, optical sensor arrays for pharmaceutical and biomedical analysis. Novel Developments in Pharmaceutical and Biomedical Analysis is the second volume of the series and covers the following topics: o Chromatographic assays of solid dosage forms and their drug dissolution studies o UHPLC method for the estimation of bioactive compounds o HILIC based LC/MS for metabolite analysis o In vitro methods for the evaluation of oxidative stress o Application of vibrational spectroscopy in studies of structural polymorphism of drugs o Electrochemical sensors based on conductive polymers and carbon nanotubes o Optical sensor arrays for pharmaceutical and biomedical analyses o Chemical applications of ionic liquids o New trends in enantioanalysis of pharmaceutical compounds

Fundamentals and Sensing Applications of 2D Materials provides a comprehensive understanding of a wide range of 2D materials. Examples of fundamental topics include: defect and vacancy engineering, doping and advantages of 2D materials for sensing, 2D materials and composites for sensing, and 2D materials in biosystems. A wide range of applications are addressed, such as gas sensors based on 2D materials, electrochemical glucose sensors, biosensors (enzymatic and non-enzymatic), and printed, stretchable, wearable and flexible biosensors. Due to their sub-nanometer thickness, 2D materials have a high packing density, thus making them suitable for the fabrication of thin film based sensor devices. Benefiting from their unique physical and chemical properties (e.g. strong mechanical strength, high surface area, unparalleled thermal conductivity, remarkable biocompatibility and ease of functionalization), 2D layered nanomaterials have shown great potential in designing high performance sensor devices. - Provides a comprehensive overview of 2D materials systems that are relevant to sensing, including transition metal dichalcogenides, metal oxides, graphene and other 2D materials system - Includes information on potential applications, such as flexible sensors, biosensors, optical sensors, electrochemical sensors, and more - Discusses graphene in terms of the lessons learned from this material for sensing applications and how these lessons can be applied to other 2D materials

Major developments in the semiconductor industry are on the horizon through the use of two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides, for integrated circuits (ICs). 2D Materials for Nanoelectronics is the first comprehensive treatment of these materials and their applications in nanoelectronic devices.Compris

Xenes: 2D Synthetic Materials Beyond Graphene includes all the relevant information about Xenes thus far reported, focusing on emerging materials and new trends. The book's primary goal is to include full descriptions of each Xene type by leading experts in the area. Each chapter will provide key principles, theories, methods, experiments and potential applications. The book also reviews the key challenges for synthetic 2D materials such as characterization, modeling, synthesis, and integration strategies. This comprehensive book is suitable for materials scientists and engineers, physicists and chemists working in academia and R&D in industry. The discovery of silicene dates back to 2012. Since then, other Xenes were subsequently created with synthetic methods. The portfolio of Xenes includes different chemical elements of the periodic table and hence the related honeycomb-like lattices show a wealth of electronic and optical properties that can be successfully exploited for applications. Introduces the most important Xenes, including silicene, germanene, borophene, gallenene, phosphorene, and more Provides the fundamental principles, theories, experiments and applications for the most relevant synthetic 2D materials Addresses techniques for the characterization, synthesis and integration of synthetic 2D materials

An important introduction to graphene, its physics and potentially significant applications, for graduate students, physicists and materials science researchers.