Fig. 3: High-throughput computational identification of exfoliable 2D materials. | npj Computational Materials

Fig. 3: High-throughput computational identification of exfoliable 2D materials.

From: Elasticity-based-exfoliability measure for high-throughput computational exfoliation of two-dimensional materials

Fig. 3

a Tiered screening pipeline for discovery of easily and potentially exfoliable crystals. Tier 1: Filter out the crystals having non-positive definite stiffness tensor. Tier 2: Filter out the crystals which contain radioactive elements. Tier 3: Filter out the crystals with a measure less than Emin. Tier 4: Filter out the duplicate crystals. b Distribution of the minimum in-plane Young’s modulus [minxy(Yin)] and the out-of-plane Young’s modulus (Yout) for the most possible exfoliated plane of all 10,812 crystals. c Top 10 crystals with the largest elasticity-based-exfoliability measure.

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