Transformation from ultradense/ultrahard/weakly-metallic sql-C6 to dense/superhard/insulating Diamond-like dia-C8 inscribed in a series of “C4+2” allotropes (m: odd or even integer); Crystal Chemistry and DFT investigations

Key Points

• Transformation results in dense and superhard diamond-like dia-C8 allotropes, expanding material options.
• Key evidence shows ultradense sql-C6 evolving into dia-C8 under specific conditions and theoretical models.
• Crystal chemistry and density functional theory are used to explore phase changes among carbon allotropes.
• Insights highlight emerging material characteristics that could impact fields like electronics and coatings.