Effect of chemical doping on thermal conductivity of zigzag phosphorene nanoribbon

摘要

Black phosphorene is the two-dimensional hexagonal counterpart of black phosphorous that has widely been studied in recent times. This study has focused on tuning the lattice thermal conductivity of phosphorene nanoribbon along zigzag direction via the chemical doping process. Two different atoms- carbon and germanium of various amounts have been inserted in the pristine structure at numerous positions. However, doping by carbon atoms increases the thermal conductivity of the ribbon while a reduced thermal conductivity has been found due to germanium doping. Also, the thermal conductivity strongly depends on doping configurations and offers higher value in case of double doping pattern. At relatively low temperatures and bigger width, the nanoribbon structure of doped phosphorene conducts more heat energy. Thus, the obtained results support the uprising possibility of phosphorene nanoribbon in various electronic, optoelectronic, and thermoelectric applications.