Preface
This book collects review chapters of theoretical chemistry for advanced nanomaterials from the points of view of both computational and experimental chemistry.
It is written for computational and experimental chemists, including undergraduate
students, who are working with advanced nanomaterials, where collaboration and
interplay between computation and experiment are essential.
This book consists of five parts:
– Part I Introduction
– Part II Computational Approach
– Part III Interplay Between Computational and Experimental Approaches
– Part IV Experimental Approach
– Part V Forthcoming Theoretical Approach
In Part I, the scientific meaning of nanomaterials is clearly defined. The
key point is that nanomaterials stand for not only nanosize materials but also
materials with nanoscale functionalities. After the explanation of computational
and experimental approaches for functional analysis, nanoscale functionalities are
introduced.
Part II: Functional Analysis from Computational Approach
• Hydride Ion Conducting Nanomaterials (Onishi)
• High-κ Dielectric Nanomaterials (Senami et al.)
• Organic Electronics (Yanagisawa et al.)
Part III: Functional Analysis from the Interplay Between Computational
and Experimental Approaches
• 0D–3D Carbon-based Nanomaterials (Taioli)
• Oligomers (Timoshkin et al.)
• Carbon Nanomaterials (Lin et al.)
• Sandwich Clusters (Nakajima et al.)
v