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. 2023 Jun 8;13(25):17222–17229. doi: 10.1039/d3ra03343k

Optimized values of the lateral heterostructures (Ti2C)p/(Ta2C)q for p = q (2, 3, 4, 5, 10), lattice constants a and b (in Å), and formation energy Ef (in eV).

Composite (p/q) a b E f
(2/2) 12.15 6.08 0.29
(3/3) 18.25 6.08 −0.67
(4/4) 24.35 6.09 −0.51
(5/5) 30.44 6.085 −0.41
(10/10) 60.94 6.09 −0.20