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3D carbon crystals: theoretical prediction and experimental preparation
Yanbo Zhang1,2, Fei Pan1,2, Kun Ni1,2
1Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei 230026, China.
National Science Review
|April 28, 2025
Summary
Researchers are exploring novel three-dimensional (3D) carbon allotropes by combining different carbon hybridization states. This review highlights recent advancements in designing and experimentally preparing these unique carbon crystals.
Area of Science:
- Materials Science
- Chemistry
- Solid State Physics
Background:
- Carbon atoms exhibit sp, sp2, or sp3 hybridization, leading to linear, triangular, or tetrahedral bonding geometries.
- Combining diverse hybridization states in a single structure enables the creation of novel 3D carbon allotropes with periodic crystal structures.
- Recent computational and experimental advancements have accelerated the discovery and synthesis of new 3D carbon materials.
Purpose of the Study:
- To review recent progress in the construction of three-dimensional (3D) carbon crystals.
- To summarize structural design principles for novel carbon allotropes.
- To highlight experimental preparation methods for 3D carbon crystals.
Main Methods:
- Review of computational predictions for new 3D carbon structures.
- Summary of experimental techniques for carbon crystal synthesis.
- Focus on template carbonization, organic synthesis, high-pressure processing, and charge injection methods.
Main Results:
- A variety of 3D carbon allotropes with unique properties and potential applications are being developed.
- Successful experimental preparation of several novel carbon crystals has been achieved.
- The field of 3D carbons is rapidly advancing, following the breakthroughs in 2D graphene.
Conclusions:
- Combining different carbon hybridization states is a key strategy for designing novel 3D carbon materials.
- Advanced synthesis techniques are crucial for realizing these predicted carbon structures.
- Continued research in 3D carbon allotropes promises new materials with significant technological potential.

