This book is an introduction to the concept of symmetries in electromagnetism and explicit symmetry breaking. It begins with a brief background on the origin of the concept of symmetry and its meaning in fields such as architecture, mathematics and physics. Despite the extensive developments of symmetry in these fields, it has yet to be applied to the context of classical electromagnetism and related engineering applications. This book unravels the beauty and excitement of this area to scientists and engineers.

This book focuses on the computational modeling of organometallic reactivity. In recent years, computational methods, particularly those based on Density Functional Theory (DFT) have been fully incorporated into the toolbox of organometallic chemists' methods. Nowadays, energy profiles of multistep processes are routinely calculated, and detailed mechanistic pictures of the reactions arise from these calculations. This type of analysis is increasingly performed even by experimentalists themselves. The volume aims to connect established computational organometallics with the more recent theoretical and methodological developments applied to this field. This would allow broadening of the simulation scope toward emergent organometallic areas (as ligand design or photoactivated processes), to narrow the gap between calculations and experiments (microkinetic models) and even to discover new reactions (automated methods). Given the broad interest and extensive application that computational methods have reached within the organometallic community, this new volume will attract the interest of both experimental and computational organometallic chemists.

The thesis focuses on the syntheses, structural characterizations and chemical bonding analyses for several ternary R-M-Ge (R = rare earth metal; M = another metal) intermetallics. The challenges in understanding the main interactions governing the chemistry of these compounds, which lead to our inability to predict their formation, structure and properties, are what provided the motivation for this study. In particular, the R2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag), R4MGe10-x (M = Li, Mg), R2Pd3Ge5, Lu5Pd4Ge8, Lu3Pd4Ge4 and Yb2PdGe3 phases were synthesized and structurally characterized. Much effort was put into the stabilization of metastable phases, employing the innovative metal flux method, and into the accurate structure solution of twinned crystals. Cutting-edge position-space chemical bonding techniques were combined with new methodologies conceived to correctly describe the Ge-M, Ge-La and also La-M polar-covalent interactions for the La2MGe6 (M = Li, Mg, Al, Cu, Zn, Pd, Ag) series. The present results constitute a step forward in our comprehension of ternary germanide chemistry as well as providing a good playground for further investigations.

"Perovskite-Based Solar Cells: From Fundamentals to Tandem Devices" gives fundamental understanding of perovskite solar cells from the chemical composition of each thin layer composing the different stacks to the whole device. Special attention has been given to the development of the materials forming the perovskite solar cell and their effect on the device performance, in addition to the recent progress of this emerging technology. Moreover, light has been shed on the perovskite elaboration techniques, in addition to the several techniques proposed to improve both the efficiency and the stability of perovskite solar cells. Furthermore, special emphasis was given to the three types of tandem solar cells and their recent advances starting from Perovskite/perovskite tandem solar cells to Perovskite/ CIGS tandem cells to perovskite/ heterojunction silicon tandem solar cells. The latter constitute a promising solution to improve photovoltaic solar cells performance.

This new volume "Iridium Catalysts for Organic Reactions" in the series "Topics in Organometallic Chemistry" intends to update several representative well-known reactions and to introduce other less known or new reactions in particular covering sustainability aspects. Iridium complexes are efficient in many catalytic homogeneous transformations providing high efficiency in both results, activity and selectivity. The interest of the book lies in the presentation of the advances, new perspectives and application in a variety of representative iridium-catalysed reaction. All chapters in the volume are contributed by relevant international experts in the field. The book is aimed at researchers, graduate students and synthetic chemists at all levels in academia and industry.

This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.

Polaritonic chemistry is an emergent interdisciplinary field in which the strong interaction of organic molecules with confined electromagnetic field modes is exploited in order to manipulate the chemical structure and reactions of the system. In the regime of strong light-matter coupling the interaction with the electromagnetic vacuum obliges us to redefine the concept of a molecule and consider the hybrid system as a whole. This thesis builds on the foundations of chemistry and quantum electrodynamics in order to provide a theoretical framework to describe these organic light-matter hybrids. By fully embracing the structural complexity of molecules, this theory allows us to employ long-established quantum chemistry methods to understand polaritonic chemistry. This leads to predictions of substantial structural changes in organic molecules and the possibility of significantly influencing chemical reactions both in the excited and ground states of the system.

This book covers a diverse cross section of this interdisciplinary research field, with contributions grouped into four categories: laser-induced filamentation; atoms and molecules in a laser field; interaction of solid materials with a coherent light field; and ion acceleration and ionization of atoms in super intense laser fields. This book series presents up-to-date reviews of advances in this interdisciplinary research field, spanning atomic and molecular physics, as well as molecular and optical science, which have been stimulated by the recent developments in ultrafast laser technologies. Each book compiles peer-reviewed articles by researchers at the forefront of their particular subfields. All the chapters include an overview to allow graduate students and researchers unfamiliar with the subfield to grasp the importance and attractions of the topic covered, followed by reports of cutting-edge discoveries.

This book presents new data on combustion processes for practical applications, discussing fire safety issues in the development of flame arresters and the use of noble metals in hydrogen recombiners for nuclear power plants. It establishes the basic principles of production of metal nanostructures, namely nanopowders of metals and compact products made of them, with the preservation of the unique properties of nanoproducts.

This book presents a comprehensive overview of state-of-the-art quantum dot photodetectors, including device fabrication technologies, optical engineering/manipulation strategies, and emerging photodetectors with building blocks of novel quantum dots (e.g. perovskite) as well as their hybrid structured (e.g. 0D/2D) materials. Semiconductor quantum dots have attracted much attention due to their unique quantum confinement effect, which allows for the facile tuning of optical properties that are promising for next-generation optoelectronic applications. Among these remarkable properties are large absorption coefficient, high photosensitivity, and tunable optical spectrum from ultraviolet/visible to infrared region, all of which are very attractive and favorable for photodetection applications. The book covers both fundamental and frontier research in order to stimulate readers' interests in developing novel ideas for semiconductor photodetectors at the center of future developments in materials science, nanofabrication technology and device commercialization. The book provides a knowledge sharing platform and can be used as a reference for researchers working in the fields of photonics, materials science, and nanodevices.

This volume highlights the latest research in frustrated Lewis pair (FLP) chemistry and its applications. The contributions present the recent developments of the use of FLPs in asymmetric catalysis, polymer synthesis, homogeneous and heterogeneous catalysis, as well as demonstrating their use as a pedagogical tool. The book will be of interest to researchers in academia and industry alike.

This book is dedicated to recent advancements in theoretical and computational studies on the interactions of hydrogen and hydrogenated molecules with metal surfaces. These studies are driven by the development of high-performance computers, new experimental findings, and the extensive work of technological applications towards the realization of a sustainable hydrogen economy. Understanding of the elementary processes of physical and chemical reactions on the atomic scale is important in the discovery of new materials with high chemical reactivity and catalytic activity, as well as high stability and durability. From this point of view, the book focuses on the behavior of hydrogen and hydrogenated molecules on flat, stepped, and reconstructed metal surfaces. It also tackles the quantum mechanical properties of hydrogen and related adsorbates; namely, molecular orbital angular momentum (spin) and diffusion along the minimum potential energy landscape on metal surfaces. All of these profoundly influence the outcomes of (1) catalytic reactions that involve hydrogen; (2) hydrogen storage in metals; and (3) hydrogen purification membranes. Lastly, it surveys the current status of the technology, outlook, and challenges for the long-desired sustainable hydrogen economy in relation to the topics covered in the book.

This book presents photoelectron spectroscopy as a valuable method for studying the electronic structures of various solid materials in the bulk state, on surfaces, and at buried interfaces. This second edition introduces the advanced technique of high-resolution and high-efficiency spin- and momentum-resolved photoelectron spectroscopy using a novel momentum microscope, enabling high-precision measurements down to a length scale of some tens of nanometers. The book also deals with fundamental concepts and approaches to applying this and other complementary techniques, such as inverse photoemission, photoelectron diffraction, scanning tunneling spectroscopy, as well as photon spectroscopy based on (soft) x-ray absorption and resonance inelastic (soft) x-ray scattering. This book is the ideal tool to expand readers' understanding of this marvelously versatile experimental method, as well as the electronic structures of metals and insulators.

This book systematically describes the design and synthesis of MOF-related materials and the electrochemical energy storage-related research in the field of batteries. It starts with an introduction to the synthesis of MOF-based materials and various MOF derivatives, such as MOF-derived porous carbon and MOF-derived metal nanoparticles. This is followed by highlighting the interesting examples for electrochemical applications, illustrating recent advances in battery, supercapacitor, and water splitting. This book is interesting and useful to a wide readership in the various fields of chemical science, materials science, and engineering.

This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.

This book focuses on theoretical and computational studies by the editor's group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry. These studies of more than 20 years include gas-phase reactions by transition-metal oxide ions, enzymatic reactions by two types of methane monooxygenase (soluble and particulate MMO), catalytic reactions by metal-exchanged zeolites, and methane C-H activation by metal oxide surfaces. Catalyst chemistry has been mostly empirical and based on enormous experimental efforts. The subject of the title has been tackled using the orbital interaction and computations based on extended Huckel, DFT, and band structure calculations. The strength of the theoretical studies is in the synergy between theory and experiment. Therefore, the group has close contacts with experimentalists in physical chemistry, catalyst chemistry, bioinorganic chemistry, inorganic chemistry, and surface chemistry. This resulting book will be useful for the theoretical analysis and design of catalysts.

The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. The chapter "Mechanochemical Forces as a Synthetic Tool for Zero and One-Dimensional Titanium Oxide-Based Nano-photocatalysts" is available open access under a CC BY 4.0 License via link.springer.com.

Proteins are exposed to various interfacial stresses during drug product development. They are subjected to air-liquid, liquid-solid, and, sometimes, liquid-liquid interfaces throughout the development cycle-from manufacturing of drug substances to storage and drug delivery. Unlike small molecule drugs, proteins are typically unstable at interfaces where, on adsorption, they often denature and form aggregates, resulting in loss of efficacy and potential immunogenicity. This book covers both the fundamental aspects of proteins at interfaces and the quantification of interfacial behaviors of proteins. Importantly, this book introduces the industrial aspects of protein instabilities at interfaces, including the processes that introduce new interfaces, evaluation of interfacial instabilities, and mitigation strategies. The audience that this book targets encompasses scientists in the pharmaceutical and biotech industry, as well as faculty and students from academia in the surface science, pharmaceutical, and medicinal chemistry areas.

This thesis focuses on experimental studies on collective motion using swimming bacteria as model active-matter systems. It offers comprehensive reviews of state-of-the-art theories and experiments on collective motion from the viewpoint of nonequilibrium statistical physics. The author presents his experimental studies on two major classes of collective motion that had been well studied theoretically. Firstly, swimming filamentous bacteria in a thin fluid layer are shown to exhibit true, long-range orientational order and anomalously strong giant density fluctuations, which are considered universal and landmark signatures of collective motion by many numerical and theoretical works but have never been observed in real systems. Secondly, chaotic bacterial turbulence in a three-dimensional dense suspension without any long-range order as described in the first half is demonstrated to be capable of achieving antiferromagnetic vortex order by imposing a small number of constraints with appropriate periodicity. The experimental results presented significantly advance our fundamental understanding of order and fluctuations in collective motion of motile elements and their future applications.