We are thrilled to announce the completion of our first milestone: “First theoretical identification of new 2D materials with properties chosen for printed electronic applications”. A core portfolio of novel exfoliable materials has been identified through extensive high-throughput calculations using van der Waals DFT. The current 2D material portfolio has been expanded by relying on the experimental bulk 3D materials extracted from the ICSD, the COD and the MPDS databases. First-principles prediction of mechanical properties (e.g., elastic constant and bending rigidities), charge carrier mobilities, optical properties, and defect formation energies were used to identify the best 2D candidates from earth-abundant elements.
The openly available Materials Cloud two-dimensional crystal database (MC2D) housing over 2000 easily exfoliable 2D materials can be found here:
Materials Cloud two-dimensional crystals database table
Explore the MC2D database and stay tuned for more groundbreaking updates from 2D-PRINTABLE!
