Fig. 3: The carrier mobility and scattering rate of bilayer MoS2 under varying NH3 concentrations.
From: Accurate first-principles simulation for the response of 2D chemiresistive gas sensors
a The band structure of bilayer MoS2 unit cell. b The phonon dispersion of bilayer MoS2 unit cell. c The logarithm of the electron–phonon limited mobility (blue points), electron-ionized impurity limited mobility (red points), and total mobility (orange points) of MoS2 as a function of NH3 concentrations. The total mobility can be determined by Matthiessen’s rule: \(\frac{1}{{\mu }_{{{{\rm{total}}}}}}=\frac{1}{{\mu }_{{{{\rm{e}}}}-{{{\rm{ph}}}}}}+\frac{1}{{\mu }_{{{{\rm{e}}}}-{{{\rm{imp}}}}}}\). d The electron-phonon scattering rate (blue pints), electron-ionized impurity scattering rate (red points) and total scattering rate (orange points) of MoS2 as a function of electron energy at 1000 ppm NH3 concentration. Zero points are at the conduction band minimum. The total scattering rate (i.e. the reciprocal of relaxation time) can be determined via: \(\frac{1}{{\tau }_{{{{\rm{total}}}}}}=\frac{1}{{\tau }_{{{{\rm{e}}}}-{{{\rm{ph}}}}}}+\frac{1}{{\tau }_{{{{\rm{e}}}}-{{{\rm{imp}}}}}}\).
