Seebeck domain formed by grain boundaries of 1H-MoS₂

 1H-MoS₂ is a highly renowned candidate for next-generation electronic devices due to its intrinsic band gap, but its growth is easily materialized to a polycrystalline structure. Understanding the properties of this dislocation is essential not only in enabling large-scale growth but also in a way that it opens a possibility of utilizing a defect itself. Here, by the ab initio based scanning Seebeck microscope (SSM) simulation, we demonstrate that peculiar Seebeck domain of opposite sign is formed around the grain boundaries of 1H-MoS₂. The intrinsic dipole field and the localized defect states inside the band gap play a predominant role in determining the sign of the domain.