A5083172250- Graphene research and applications
- Advancements in Battery Materials
- Topological Materials and Phenomena
- 2D Materials and Applications
- Advanced Battery Materials and Technologies
- Quantum and electron transport phenomena
- Advanced Photocatalysis Techniques
- Fullerene Chemistry and Applications
- Covalent Organic Framework Applications
- Advanced Battery Technologies Research
- Electrocatalysts for Energy Conversion
- Boron and Carbon Nanomaterials Research
Sun Yat-sen University
2025
South China Agricultural University
2023-2024
Two-dimensional (2D) structures hold promise as advanced lithium-ion battery (LIB) anode materials. Recently synthesized 2D graphullerene faces challenges due to its large electronic insulating band gap. In this study, we construct a quasi-tetragonal graphullerene, C36, denoted GrF-C36, using C36 fullerenes with D6h symmetry the structural unit. First-principles calculations revealed that delocalized pz orbitals lead metallicity, combined intrinsic porosity, resulting in theoretical capacity...
The synthesis of C60-based two-dimensional (2D) fullerene networks has attracted wide interest in graphullerene. In this study, based on the C24 fullerenes, we theoretically construct quasi-tetragonal 2D graphullerene and its three-dimensional (3D) structures, denoted as GrF-C24 3D-C24, respectively. First-principles calculations reveal that both structures release energy during polymerization, together with double [2 + 2] cycloaddition bonding between C24s, promoting better stability....
Seeking for novel fermions in two-dimensional (2D) materials is of practical significance devices with extraordinary transport properties. In this work, 2D carbon nanotube arrays (CNTAs) formed by ‘fusible’ connection uniform CNTs are studied based on first-principles calculations. We find the coexistence multiple Dirac points and diverse nodal lines (including type I, II, III band crossing modes, both open closed forms) four entangled bands near Fermi levels. Such kind coexistence, which...