Electronic Structure of Advanced Functional Materials
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Chemistry".
Deadline for manuscript submissions: closed (20 December 2023) | Viewed by 312
Special Issue Editor
Special Issue Information
Dear Colleagues,
Advanced functional materials are materials which exhibit superior physical and chemical properties due to their specific chemical structures. An electronic structure plays a key role in determining their properties. This Special Issue focuses on advanced functional materials and explores the electronic structure behind their remarkable characteristics.
The Special Issue is divided into two parts: part I reviews the fundamental principles of the electronic structure of materials, while part II presents more specialized topics such as electronic structure analysis methods, band structure calculations of various functional materials, and the application of these materials in various fields.
In Part I, articles discuss theoretical approaches to understanding an electronic structure, such as density functional theory (DFT). Other topics covered include related concepts such as chemical bonding, molecular shape and symmetry, electron–phonon interactions, and other aspects of quantum chemistry.
Part II includes applications of electronic structure analysis methods to various materials such as perovskites, kaolinite, hectorite, barium titanate, and ferroelectric materials. In addition, the charge transport mechanism of organic–inorganic hybrid materials for optoelectronic devices is discussed. Moreover, future directions of research regarding advanced materials in photonics, spintronics, topological materials, and water splitting are highlighted.
In summary, this Special Issue provides a comprehensive insight into the electronic structure of advanced functional materials. It covers both the fundamental principles of an electronic structure and their applications in real life scenarios.
It is our pleasure to invite you to submit a manuscript for this Special Issue. Full papers, communications, and reviews are all welcome.
Dr. Sanjeev Gautam
Guest Editor
Manuscript Submission Information
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Keywords
- electronic structure
- functional materials
- density functional theory
- as density functional theory
- molecular shape and symmetry
- electron–phonon interactions
- Near-Edge X-ray Absorption Fine Structure (NEXAFS)
- Extended X-ray Absorption Fine Structure (EXAFS)
- X-ray Photoelectron Spectroscopy (XPS)
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