Title: Principles of Computational Modeling: For the Analysis of NanostructuredMaterials
Publisher: LAP LAMBERT Academic Publishing
Publication Date: 2024
Language: English
ISBN 10: 6208172160
ISBN 13: 9786208172169
Binding: Soft cover
Condition: New

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Synopsis

The book deals with the contribution of theoretical calculations and predictions in the development of advanced high-performance thermoelectrics. The work has been increasingly significant and has successfully guided experiments to understand as well as achieve record-breaking results. In this review, recent developments in high-performance nanostructured bulk thermoelectric materials are discussed from the viewpoint of theoretical calculations. An effective emerging strategy for boosting thermoelectric performance involves minimizing electron scattering while maximizing heat-carrying phonon scattering on many length scales. We present several important strategies and key examples that highlight the contributions of first-principles-based calculations in revealing the intricate but tractable relationships for this synergistic optimization of thermoelectric performance.

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