Exploring carbides with rigid carbon frameworks – POLYCARBS

The main objective of this project is to explore new carbon compounds using high pressure as a stabilization tool for newly theoretically predicted “polymerized” anionic carbon states. For example 3-D clathrate superstructures are expected to have mechanical properties comparable to diamond, typical dielectric and highly covalent compound, and at the same time be metallic and even superconductors as some silicon clathrate analogs. Other phases are expected to be semiconductors with direct bandgap in visible domain, i.e. very promising materials for optoelectronics. In the framework of current project, we propose to study phase transformations and chemical interactions in a number of Carbon-Metal systems with promising precursors (Metal = Mg, Li and K) at high pressure-temperature conditions using “large volume” high-pressure synthesis techniques and ab initio calculations. Our research will be focused on the search of new advanced materials, their recovery at ambient conditions, and on the needful scalability to industrial production.