This is a graduate level textbook in nanoscale heat transfer and energy conversion that can also be used as a reference for researchers in the developing field of nanoengineering. It provides a comprehensive overview of microscale heat transfer, focusing on thermal energy storage and transport. Chen broadens the readership by incorporating results from related disciplines, from the point of view of thermal energy storage and transport, and presents related topics on the transport of electrons, phonons, photons, and molecules. This book is part of the MIT-Pappalardo Series in Mechanical Engineering.

In this thesis, ab initio molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory was adopted to investigate nanoscale heat transfer and energy conversions for semiconductors. The first one investigates the heat conduction process occurring in Si/Ge superlattices at selected stages from the initial point of nonzero temperature gradient to the final state of thermal equilibrium. The second one studies the thermal energy transportation phenomena spanning from heat conduction of thermal radiation with the modeling of variable gap distances in different thin layer systems. The third one presents an ab initio molecular dynamics study of femtosecond laser processing of germanium. As the first work of studying the nanoscale energy transport spanning from heat conduction to thermal radiation and the femtosecond laser material interaction in mechanical engineering, the simulation results highlight the promising application of the first-principles molecular dynamics in thermal engineering. We believe our results and the conclusion drawn will be quite useful in helping to resolving the heat transfer and energy conversion problem during the miniaturization of integrated circuits and molecular electronics.

This book brings together leading names in the field of nanoscale energy transport to provide a comprehensive and insightful review of this developing topic. The text covers new developments in the scientific basis and the practical relevance of nanoscale energy transport, highlighting the emerging effects at the nanoscale that qualitatively differ from those at the macroscopic scale. Throughout the book, microscopic energy carriers are discussed, including photons, electrons and magnons. State-of-the-art computational and experimental nanoscale energy transport methods are reviewed, and a broad range of materials system topics are considered, from interfaces and molecular junctions to nanostructured bulk materials. Nanoscale Energy Transport is a valuable reference for researchers in physics, materials, mechanical and electrical engineering, and it provides an excellent resource for graduate students.

Ultrafast Dynamics at the Nanoscale provides a combined experimental and theoretical insight into the molecular-level investigation of light-induced quantum processes in biological systems and nanostructured (bio)assemblies. Topics include DNA photostability and repair, photoactive proteins, biological and artificial light-harvesting systems, plasmonic nanostructures, and organic photovoltaic materials, whose common denominator is the key importance of ultrafast quantum effects at the border between the molecular scale and the nanoscale. The functionality and control of these systems have been under intense investigation in recent years in view of developing a detailed understanding of ultrafast nanoscale energy and charge transfer, as well as fostering novel technologies based on sustainable energy resources. Both experiment and theory have made big strides toward meeting the challenge of these truly complex systems. This book, thus, introduces the reader to cutting-edge developments in ultrafast nonlinear optical spectroscopies and the quantum dynamical simulation of the observed dynamics, including direct simulations of two-dimensional optical experiments. Taken together, these techniques attempt to elucidate whether the quantum coherent nature of ultrafast events enhances the efficiency of the relevant processes and where the quantum–classical boundary sets in, in these high-dimensional biological and material systems. The chapters contain well-illustrated accounts of the authors’ research work, including didactic introductory material, and address a multidisciplinary audience from chemistry, physics, biology, and materials sciences. The book is, therefore, a must-have for graduate- and postgraduate-level researchers who wish to learn about molecular nanoscience from a combined spectroscopic and theoretical viewpoint.

The use of nanomaterials in energy conversion and storage represents an opportunity to improve the performance, density and ease of transportation in renewable resources. This book looks at the most recent research on the topic, with particular focus on artificial photosynthesis and lithium-ion batteries as the most promising technologies to date. Research on the broad subject of energy conversion and storage calls for expertise from a wide range of backgrounds, from the most fundamental perspectives of the key catalytic processes at the molecular level to device scale engineering and optimization. Although the nature of the processes dictates that electrochemistry is a primary characterization tool, due attention is given to advanced techniques such as synchrotron studies in operando. These studies look at the gap between the performance of current technology and what is needed for the future, for example how to improve on the lithium-ion battery and to go beyond its capabilities.Suitable for students and practitioners in the chemical, electrochemical, and environmental sciences, Nanomaterials for Energy Conversion and Storage provides the information needed to find scalable, economically viable and safe solutions for sustainable energy.