New 2D Carbon Allotrope, Electronic Structure, Mechanical and Thermal Properties, Density Functional Theory, Reactive Molecular Dynamics.
Fullerene Network, Charge Transport, Organic Semiconductors, Polaron, Holstein-Polaron Model
Hemiporphyrazine, Two-dimensional Materials, Nanoporous Material, New 2D Material, Density Functional Theory
2D Silicates, Biotite and Rhodonite, Nanomechanical properties, Friction
Polymerized Pyracyclene Graphyne (PolyPyGY), 2D Carbon Allotropes, Energy Storage Efficiency, Lithium-ion Storage Capacity, Optoelectronic Properties