https://www.selleckchem.com/pr....oducts/CP-690550.htm
The reliability of our scheme was verified by taking VN as a probe to conduct the hybrid functional calculation, and the rescaled CTL is within the acceptable error range with the pure HSE results. Based on the results of CTLs, all the native point defects in the h-BN monolayer act as hole or electron trap centers under certain conditions and would suppress the p- or n-type electrical conduction of h-BN-based devices. Our rescale method is also suitable for other materials for defect charge transition level calculations.The research i
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