A comparative study on the linear scaling relations for the diffusion of S-vacancies on MoS2 and WS2
Po-Yuan Wang,
Chun-Chi Yeh,
Ming-Jia Chiu
et al.
Abstract:This work uses density functional theory (DFT) calculations and kinetic Monte Carlo (kMC) simulations to compare the diffusion of S-vacancies on defective MoS2 and WS2, two structures that are often...
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