Computational Study of Planar Clusters and Materials
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".
Deadline for manuscript submissions: 31 July 2025 | Viewed by 1779
Special Issue Editor
Interests: computational chemistry; materials chemistry; theoretical design; photoelectron spectroscopy; structural chemistry
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The plane is beautiful! Clusters and materials with unique planar structures often have novel properties and potential application prospects which attract great attention from theoretical and experimental researchers. Plane chemistry has become one of the hot topics of today. The discovery of the Kekule structure of benzene molecules in 1865 spiked the interest of chemists in planar aromatic organic molecules. In 1970, Hoffmann proposed the concept of “planar tetracoordinate carbon”, which became the foundation of planar hypercoordination chemistry. Based on photoelectron spectroscopy experiments, Lai-Sheng Wang et al. confirmed that the boron clusters within 40 atoms possess mainly planar or quasi-planar structures. The discovery of single-layer graphene in 2004 gave new impetus to the study of planar materials. The theoretical study of the structures, stabilities, bonding, aromaticity, spectral properties, and adsorption properties of planar clusters and materials is of great significance for chemistry and materials science.
Planar structures contain too many mysteries, and we need to uncover them one by one! The aim of this Special Issue is to provide a platform to present the latest research on planar clusters and materials.
Prof. Dr. Jinchang Guo
Guest Editor
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Keywords
- planar cluster
- chemical bonding
- planar material
- aromaticity
- stability
- adsorptive property
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