References
Lattice Strain Formation through Spin-Coupled Shells of MoS2 on Mo2C for Bifunctional Oxygen Reduction and Oxygen Evolution Reaction Electrocatalysts Adv. Mater. Interfaces 2019, 6, 1900948
Calculate lattice strain
Relative strain in MoS2 of core-shell structures is calculated by the Williamson-Hall method (W-H method) (Acta Metall. 1, 22-31 (1953)). W-H method based on the principle in which approximate formulae for size broadening, βL, and strain broadening, βe, vary quite differently with respect to Bragg angle, θ:

Size broadening varies as 1/cosθ and the starin broading as tanθ. If both contributions are present then their combined effect should be determined by convolution. The simplification of Williamson-Hall method is to assume the convolution is either a simple sum or sum of squares as:

After multiplication 𝑐𝑜𝑠𝜃on both side, we get final equation for calculating relative strain in the lattice:


Leave a comment