This thesis presents a series of experimental techniques based on scanning probe microscopy, which make it possible access the degree of freedom of protons both in real and energy space. These novel techniques and methods allow direct visualization of the concerted quantum tunneling of protons within the hydrogen-bonded network and quantification of the quantum component of a single hydrogen bond at a water-solid interface for the first time. Furthermore, the thesis demonstrates that the anharmonic quantum fluctuations of hydrogen nuclei further weaken the weak hydrogen bonds and strengthen the strong ones. However, this trend was reversed when the hydrogen bond coupled to the local environment. These pioneering findings substantially advance our understanding of the quantum nature of H bonds at the molecular level.

The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given in context of electronic and vibrational spectroscopy as well as chemical reactions following orbital symmetry rules. Exercises and examples compile and deepen the content in a lucid manner.

This book focuses on the widely used experimental techniques available for the structural, morphological, and spectroscopic characterization of materials. Recent developments in a wide range of experimental techniques and their application to the quantification of materials properties are an essential side of this book. Moreover, it provides concise but thorough coverage of the practical and theoretical aspects of the analytical techniques used to characterize a wide variety of functional nanomaterials. The book provides an overview of widely used characterization techniques for a broad audience: from beginners and graduate students, to advanced specialists in both academia and industry.

This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction. The book reports on a novel dimeric Pd-M (M = Pd or Ag) model for reaction (i), which successfully explains the meta-selectivity observed experimentally. For reaction (ii), with a combined DFT/MS method, the author successfully reveals the roles of MPAA ligands and a new C-H activation mechanism, which accounts for the improved reactivity and high meta-selectivity and opens new avenues for ligand design. She subsequently applies ion-mobility mass spectrometry to capture and separate the [Pd(MPAA)(substrate)] complex at different stages for the first time, providing support for the internal-base model for reaction (iii). Employing DFT studies, she then establishes a chirality relay model that can be widely applied to MPAA-assisted asymmetric C-H activation reactions. Lastly, for reaction (iv) the author conducts detailed computational studies on several plausible pathways for Cu/O2 and Cu/TBHP systems and finds a reliable method for calculating the single electron transfer (SET) process on the basis of benchmark studies.

This book provides microscopic insights into chemical properties of NO on metal surfaces. NO/metal systems have been studied intensively to understand heterogeneous catalysis to detox exhaust NOx gas. The identification and componential analysis of various and mixed chemical species of NO adsorbed onto the surfaces have been significant challenges faced by conventional experimental techniques, such as vibrational spectroscopies. The author investigated "individual" NO molecules on Cu surfaces using low-temperature scanning tunneling microscopy (STM). STM not only provides information on the geometric, electronic, and vibrational properties at the single-molecule level; it is also able to manipulate molecules on surfaces to induce chemical reaction. Exploiting those techniques, the author chemically identified individual NO-related species on the surfaces and discovered new reaction processes for NO reduction, which provides microscopic insights into the catalytic mechanisms. The author also visualized wave functions of electrons in a valence orbital of NO and demonstrated that the wave functions are modified by the formation of covalent bonding or hydrogen bonding. This is, namely, "the visualization of quantum mechanics in real space," which is certainly worth reading. Furthermore, the book demonstrates that direct observation of valence orbitals helps to elucidate the reactivity of molecules adsorbed onto surfaces. This innovative approach to studying molecular properties will contribute to further development of STM and its related methods.

This thesis experimentally demonstrates the much discussed electronic charge-glass states in solids. It focuses on quasi-two-dimensional organic conductors of the -(BEDT-TTF)2X family, which form anisotropic triangular lattices, and examines their electronic properties using various measurements: resistivity, time-resolved electric transport, X-ray diffraction analysis, and nuclear magnetic resonance spectroscopy. The hallmark of the charge glass caused by geometrical frustration of lattice structure for those materials is successfully observed for the first time. The thesis provides new insights into the exotic properties of matter driven by strong electron correlations and crystalline frustration. The introduction enables beginners to understand fundamentals of the charge-glass states and the organic-conductor family -(BEDT-TTF)2X. The comprehensive and detailed descriptions of the experimental demonstration make this a valuable resource.

This book presents methodological and application research in detecting cellular and molecular biophysical properties based on atomic force microscopy (AFM) nanorobotics. Series methods for in situ label-free visualizing and quantifying the multiple physical properties of single cells and single molecules were developed, including immobilization strategies for observing fine structures of living cells, measurements of single-cell mechanics, force recognition of molecular interactions, and mapping protein organizations on cell surface. The biomedical applications of these methods in clinical lymphoma treatments were explored in detail, including primary sample preparation, cancer cell recognition, AFM detection and data analysis. Future directions about the biomedical applications of AFM are also given.

This thesis reports a major breakthrough in discovering the superconducting mechanism in CeCoIn5, the "hydrogen atom" among heavy fermion compounds. By developing a novel theoretical formalism, the study described herein succeeded in extracting the crucial missing element of superconducting pairing interaction from scanning tunneling spectroscopy experiments. This breakthrough provides a theoretical explanation for a series of puzzling experimental observations, demonstrating that strong magnetic interactions provide the quantum glue for unconventional superconductivity. Additional insight into the complex properties of strongly correlated and topological materials was provided by investigating their non-equilibrium charge and spin transport properties. The findings demonstrate that the interplay of magnetism and disorder with strong correlations or topology leads to complex and novel behavior that can be exploited to create the next generation of spin electronics and quantum computing devices.

This open access book brings out the state of the art on how informatics-based tools are used and expected to be used in nanomaterials research. There has been great progress in the area in which "big-data" generated by experiments or computations are fully utilized to accelerate discovery of new materials, key factors, and design rules. Data-intensive approaches play indispensable roles in advanced materials characterization. "Materials informatics" is the central paradigm in the new trend. "Nanoinformatics" is its essential subset, which focuses on nanostructures of materials such as surfaces, interfaces, dopants, and point defects, playing a critical role in determining materials properties. There have been significant advances in experimental and computational techniques to characterize individual atoms in nanostructures and to gain quantitative information. The collaboration of researchers in materials science and information science is growing actively and is creating a new trend in materials science and engineering.

This book provides a comprehensive introduction to ferroics and frustrated materials. Ferroics comprise a range of materials classes with functionalities such as magnetism, polarization, and orbital degrees of freedom and strain. Frustration, due to geometrical constraints, and disorder, due to chemical and/or structural inhomogeneities, can lead to glassy behavior, which has either been directly observed or inferred in a range of materials classes from model systems such as artificial spin ice, shape memory alloys, and ferroelectrics to electronically functional materials such as manganites. Interesting and unusual properties are found to be associated with these glasses and have potential for novel applications. Just as in prototypical spin glass and structural glasses, the elements of frustration and disorder lead to non-ergodocity, history dependence, frequency dependent relaxation behavior, and the presence of inhomogeneous nano clusters or domains. In addition, there are new states of matter, such as spin ice; however, it is still an open question as to whether these systems belong to the same family or universality class. The purpose of this work is to collect in a single volume the range of materials systems with differing functionalities that show many of the common characteristics of geometrical frustration, where interacting degrees of freedom do not fit in a lattice or medium, and glassy behavior is accompanied by additional presence of disorder. The chapters are written by experts in their fields and span experiment and theory, as well as simulations. Frustrated Materials and Ferroic Glasses will be of interest to a wide range of readers in condensed matter physics and materials science.

This book focuses on the most recent, relevant, comprehensive and significant aspects in the well-established multidisciplinary field Laboratory Astrophysics. It focuses on astrophysical environments, which include asteroids, comets, the interstellar medium, and circumstellar and circumplanetary regions. Its scope lies between physics and chemistry, since it explores physical properties of the gas, ice, and dust present in those systems, as well as chemical reactions occurring in the gas phase, the bare dust surface, or in the ice bulk and its surface. Each chapter provides the necessary mathematical background to understand the subject, followed by a case study of the corresponding system. The book provides adequate material to help interpret the observations, or the computer models of astrophysical environments. It introduces and describes the use of spectroscopic tools for laboratory astrophysics. This book is mainly addressed to PhD graduates working in this field or observers and modelers searching for information on ice and dust processes.

This thesis presents various characteristics of 122-type iron pnictide (FeSC) such as crystal and electronic structure, carrier-doping effect, and impurity-scattering effect, using transport, magnetization, specific heat, single-crystal X-ray diffraction, and optical spectral measurements. Most notably the measurement on the magnetic fluctuation in the material successfully explains already known unusual electronic properties, i.e., superconducting gap symmetry, anisotropy of in-plane resistivity in layered structure, and charge dynamics; and comparing them with those of normal phase, the controversial problems in FeSCs are eventually settled. The thesis provides broad coverage of the physics of FeSCs both in the normal and superconducting phase, and readers therefore benefit from the efficient up-to-date study of FeSCs in this thesis. An additional attraction is the detailed description of the experimental result critical for the controversial problems remaining since the discovery of FeSC in 2008, which helps readers follow up recent developments in superconductor research.

A Century of Separation Science presents an extensive overview of the critical developments in separation science since 1900, covering recent advances in chromatography, electrophoresis, field-flow fractionation, countercurrent chromatography, and supercritical fluid chromatography for high-speed and high-throughput analysis.

Elemental Analysis is an excellent guide introducing cutting-edge methods for the qualitative and quantitative analysis of elements. Each chapter of the book gives an overview of a certain technique, such as AAS, AFS, ICP-OES, MIP-OES, ICP-MS and XRF. Readers will benefit from a balanced combination of theoretical basics, operational principles of instruments and their practical applications.

The book presents principles of electron magnetic resonance from a chemist's point-of-view, covering g-tensor theory, isotropical hyperfine structure, anisotropical hyperfine structure and fine structure of spectrum, and relaxation theory. Detailed explanations on quantitative determination of paramagnetic species are given to address readers' difficulties. Written as a physical chemistry graduate textbook, it is also suitable for industry users.

This monograph presents fundamental aspects of modern spectral and other computational methods, which are not generally taught in traditional courses. It emphasizes concepts as errors, convergence, stability, order and efficiency applied to the solution of physical problems. The spectral methods consist in expanding the function to be calculated into a set of appropriate basis functions (generally orthogonal polynomials) and the respective expansion coefficients are obtained via collocation equations. The main advantage of these methods is that they simultaneously take into account all available information, rather only the information available at a limited number of mesh points. They require more complicated matrix equations than those obtained in finite difference methods. However, the elegance, speed, and accuracy of the spectral methods more than compensates for any such drawbacks. During the course of the monograph, the authors examine the usually rapid convergence of the spectral expansions and the improved accuracy that results when nonequispaced support points are used, in contrast to the equispaced points used in finite difference methods. In particular, they demonstrate the enhanced accuracy obtained in the solutionof integral equations. The monograph includes an informative introduction to old and new computational methods with numerous practical examples, while at the same time pointing out the errors that each of the available algorithms introduces into the specific solution. It is a valuable resource for undergraduate students as an introduction to the field and for graduate students wishing to compare the available computational methods. In addition, the work develops the criteria required for students to select the most suitable method to solve the particular scientific problem that they are confronting.

This book presents the fundamentals of the thermoelectrical effect in silicon carbide (SiC), including the thermoresistive, thermoelectric, thermocapacitive and thermoelectronic effects. It summarizes the growth of SiC, its properties and fabrication processes for SiC devices and introduces the thermoelectrical sensing theories in different SiC morphologies and polytypes. Further, it reviews the recent advances in the characterization of the thermoelectrical effect in SiC at high temperatures. Discussing several desirable features of thermoelectrical SiC sensors and recent developments in these sensors, the book provides useful guidance on developing high sensitivity and linearity, fast-response SiC sensing devices based on thermoelectrical effects.

At the heart of this book is the matter of how isotopic landscapes combined with data mining enriches insights on prehistoric migration and cultural transfer. Isotopic mapping is an indispensable tool for the assessment of mobility and trade in the past, but is limited by eco-geographic redundancies. An interdisciplinary research group focuses on the archaeological isotopic landscape of a reference region of outstanding importance, namely the transalpine migration route via the Brenner Pass which has been in use since the Mesolithic. Over the period of several cultural epochs, cremation was either the most common or exclusive burial custom practiced. For the first time, a systematic and large scale investigation of cremated remains was being conducted in the field of prehistoric migration research.87Sr/86Sr, 208Pb/204Pb, 207Pb/204Pb, 206Pb/204Pb, 208Pb/207Pb, 206Pb/207Pb and - if applicable - also 18O were measured in human and animal skeletal finds, an isotopic map was established, and innovative methods of data mining and similarity research have been applied to accomplish this novel approach to studying prehistoric migration and culture transfer. The book has interdisciplinary appeal and scholars working in bioarchaeology, physical anthropology and computer applications in life sciences will find it of particular interest.

This thesis presents an experimental study of ordering phenomena in rare-earth nickelate-based heterostructures by means of inelastic Raman light scattering and elastic resonant x-ray scattering (RXS). Further, it demonstrates that the amplitude ratio of magnetic moments at neighboring nickel sites can be accurately determined by RXS in combination with a correlated double cluster model, and controlled experimentally through structural pinning of the oxygen positions in the crystal lattice. The two key outcomes of the thesis are: (a) demonstrating full control over the charge/bond and spin order parameters in specifically designed praseodymium nickelate heterostructures and observation of a novel spin density wave phase in absence of the charge/bond order parameter, which confirms theoretical predictions of a spin density wave phase driven by spatial confinement of the conduction electrons; and (b) assessing the thickness-induced crossover between collinear and non-collinear spin structures in neodymium nickelate slabs, which is correctly predicted by drawing on density functional theory.

This book offers a comprehensive introduction to confocal microscopy - with a particular focus on spectral confocal microscopy. Beginning with an introduction to optical lenses, it provides a guide to compound microscopes and explains related topics like microscopic resolution. It then presents an outline of fluorescence and its corresponding implications for microscopy. The following excursus on the confocal beam paths includes implementation of acousto-optical devices and modern sensor techniques. Complex relationships are explained in a comprehensible manner, supported by many graphical figures. Discussing the principles of magnifying optics and the technical fundamentals and modes of operation of modern laser scanning microscopes, it is a valuable resource for student and lab technicians as well as faculty members.

This book addresses the piezoresistance in p-type 3C-SiC, which it investigates using experimental characterization and theoretical analysis. The gauge factor, the piezoresistive coefficients in two-terminal and four-terminal resistors, the comparison between single crystalline and nanocrystalline SiC, along with the temperature dependence of the piezoresistive effect in p-type 3C-SiC are also discussed. Silicon carbide (SiC) is an excellent material for electronic devices operating at high temperatures, thanks to its large energy band gap, superior mechanical properties and extreme chemical inertness. Among the numerous polytypes of SiC, the cubic single crystal, which is also well known as 3C-SiC, is the most promising platform for microelectromechanical (MEMS) applications, as it can be epitaxially grown on an Si substrate with diameters of up to several hundred millimeters. This feature makes 3C-SiC compatible with the conventional Si-based micro/nano processing and also cuts down the cost of SiC wafers. The investigation into the piezoresistive effect in 3C-SiC is of significant interest for the development of mechanical transducers such as pressure sensors and strain sensors used for controlling combustion and deep well drilling. Although a number of studies have focused on the piezoresistive effect in n-type 3C-SiC, 4H-SiC and 6H-SiC, comparatively little attention has been paid to piezoresistance in p-type 3C-SiC. In addition, the book investigates the piezoresistive effect of top-down fabricated SiC nanowires, revealing a high degree of sensitivity in nanowires employing an innovative nano strain-amplifier. The large gauge factors of the p-type 3C-SiC at both room temperature and high temperatures found here indicate that this polytype could be suitable for the development of mechanical sensing devices operating in harsh environments with high temperatures.

This book sheds new light on the current state of knowledge concerning chromatin organization. Particular emphasis is given to the new imaging potential offered by super-resolution microscopy, which allows DNA imaging with a very high labeling density. From the early work on chromosomes by Walther Flemming in the nineteenth century to recent advances in genomics, the history of chromatin research now spans more than a century. The various milestones, such as the discovery of the double helix structure, the sequencing of the human genome, and the recent description of the genome in 3D space, show that understanding chromatin and chromosome function requires a clear understanding of its structure. Presenting cutting-edge data from super-resolution single molecule microscopy, the book demonstrates that chromatin manifests several levels of folding, from nucleosomes to chromosomes. Chromatin domains emerge as a new fundamental building block of chromatin architecture, with functions possibly related to gene regulation. A detailed description of chromatin folding in the pachytene stage of meiosis serves as a model for exploring this functionality, showing the apparent interplay between structure, function, and epigenetic regulation. Lastly, the book discusses possible new avenues of innovation to describe chromatin's organization and functions. Gathering essential insights on chromatin architecture, the book offers students an introduction to microscopy and its application to chromatin organization, while also providing advanced readers with new ideas for future research.

This textbook takes the reader on a tour of the most important landmarks of theoretical physics: classical, quantum, and statistical mechanics, relativity, electrodynamics, as well as the most modern and exciting of all: elementary particles and the physics of fractals. The second edition has been supplemented with a new chapter devoted to concise though complete presentation of dynamical systems, bifurcations and chaos theory. The treatment is confined to the essentials of each area, presenting all the central concepts and equations at an accessible level. Chapters 1 to 4 contain the standard material of courses in theoretical physics and are supposed to accompany lectures at the university; thus they are rather condensed. They are supposed to fill one year of teaching. Chapters 5 and 6, in contrast, are written less condensed since this material may not be part of standard lectures and thus could be studied without the help of a university teacher. An appendix on elementary particles lies somewhere in between: It could be a summary of a much more detailed course, or studied without such a course. Illustrations and numerous problems round off this unusual textbook. It will ideally accompany the students all along their course in theoretical physics and prove indispensable in preparing and revising the exams. It is also suited as a reference for teachers or scientists from other disciplines who are interested in the topic.

This book highlights the various topics in which luminescence and electrochemistry are intimately coupled. The topic of this book is clearly at the frontier between several scientific domains involving physics, chemistry and biology. Applications in these various fields naturally also need to be mentioned, especially concerning displays and advanced investigation techniques in analytical chemistry or for biomedical issues.

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases. Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica (R)), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica (R) codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road. Students who are not yet familiar with Mathematica (R) or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms.