Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.

Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the stru

This thesis focuses on the exploration of nontrivial spin dynamics in graphene-based devices and topological materials, using realistic theoretical models and state-of-the-art quantum transport methodologies. The main outcomes of this work are: (i) the analysis of the crossover from diffusive to ballistic spin transport regimes in ultraclean graphene nonlocal devices, and (ii) investigation of spin transport and spin dynamics phenomena (such as the (quantum) spin Hall effect) in novel topological materials, such as monolayer Weyl semimetals WeTe2 and MoTe2. Indeed, the ballistic spin transport results are key for further interpretation of ultraclean spintronic devices, and will enable extracting precise values of spin diffusion lengths in diffusive transport and guide experiments in the (quasi)ballistic regime. Furthermore, the thesis provides an in-depth theoretical interpretation of puzzling huge measured efficiencies of the spin Hall effect in MoTe2, as well as a prediction of a novel canted quantum spin Hall effect in WTe2 with spins pointing in the yz plane.

"a very detailed book on multiferroics that will be useful for PhD students and researchers interested in this emerging field of materials science" —Dr. Wilfrid Prellier, Research Director, CNRS, Caen, France Multiferroics has emerged as one of the hottest topics in solid state physics in this millennium. The coexistence of multiple ferroic/antiferroic properties makes them useful both for fundamental studies and practical applications such as revolutionary new memory technologies and next-generation spintronics devices. This book provides an historical introduction to the field, followed by a summary of recent progress in single-phase multiferroics (type-I and type-II), multiferroic composites (bulk and nano composites), and emerging areas such as domain walls and vortices. Each chapter addresses potential technological implications. There is also a section dedicated to theoretical approaches, both phenomenological and first-principles calculations.

This completely revised and expanded new edition covers the full range of techniques now available for the investigation of materials structure and accurate quantitative determination of microstructural features within materials. It continues to provide the best introductory resource for understanding the interrelationship between microstructure and physical, mechanical, and chemical properties, as well as selection and application of techniques for both basic and applied studies. In particular, changes have been made to reflect developments in analysis of nanoscale and biological materials.

FERROIC MATERIALS-BASED TECHNOLOGIES The book addresses the prospective, relevant, and original research developments in the ferroelectric, magnetic, and multiferroic fields. Ferroic materials have sparked widespread attention because they represent a broad spectrum of elementary physics and are employed in a plethora of fields, including flexible memory, enormous energy harvesting/storage, spintronic functionalities, spin caloritronics, and a large range of other multi-functional devices. With the application of new ferroic materials, strong room-temperature ferroelectricity with high saturation polarization may be established in ferroelectric materials, and magnetism with significant magnetization can be accomplished in magnetic materials. Furthermore, magnetoelectric interaction between ferroelectric and magnetic orderings is high in multiferroic materials, which could enable a wide range of innovative devices. Magnetic, ferroelectric, and multiferroic 2D materials with ultrathin characteristics above ambient temperature are often expected to enable future miniaturization of electronics beyond Moore’s law for energy-efficient nanodevices. This book addresses the prospective, relevant, and original research developments in the ferroelectric, magnetic, and multiferroic fields. Audience The book will interest materials scientists, physicists, and engineers working in ferroic and multiferroic materials.

This book provides an overview on nanostructured thermoelectric materials and devices, covering fundamental concepts, synthesis techniques, device contacts and stability, and potential applications, especially in waste heat recovery and solar energy conversion. The contents focus on thermoelectric devices made from nanomaterials with high thermoelectric efficiency for use in large scale to generate megawatts electricity. Covers the latest discoveries, methods, technologies in materials, contacts, modules, and systems for thermoelectricity. Addresses practical details of how to improve the efficiency and power output of a generator by optimizing contacts and electrical conductivity. Gives tips on how to realize a realistic and usable device or module with attention to large scale industry synthesis and product development. Prof. Zhifeng Ren is M. D. Anderson Professor in the Department of Physics and the Texas Center for Superconductivity at the University of Houston. Prof. Yucheng Lan is an associate professor in Morgan State University. Prof. Qinyong Zhang is a professor in the Center for Advanced Materials and Energy at Xihua University of China.

This comprehensive tutorial guide to silicon nanomaterials spans from fundamental properties, growth mechanisms, and processing of nanosilicon to electronic device, energy conversion and storage, biomedical, and environmental applications. It also presents core knowledge with basic mathematical equations, tables, and graphs in order to provide the reader with the tools necessary to understand the latest technology developments. From low-dimensional structures, quantum dots, and nanowires to hybrid materials, arrays, networks, and biomedical applications, this Sourcebook is a complete resource for anyone working with this materials: Covers fundamental concepts, properties, methods, and practical applications. Focuses on one important type of silicon nanomaterial in every chapter. Discusses formation, properties, and applications for each material. Written in a tutorial style with basic equations and fundamentals included in an extended introduction. Highlights materials that show exceptional properties as well as strong prospects for future applications. Klaus D. Sattler is professor physics at the University of Hawaii, Honolulu, having earned his PhD at the Swiss Federal Institute of Technology (ETH) in Zurich. He was honored with the Walter Schottky Prize from the German Physical Society, and is the editor of the sister work also published by Taylor & Francis, Carbon Nanomaterials Sourcebook, as well as the acclaimed multi-volume Handbook of Nanophysics.