Theoretical prediction of thermoelectric properties of n-type binary Zintl compounds (KSb and KBi)

Twisted grain boundary leads to high thermoelectric performance in tellurium crystals

“…The electrical transport properties were calculated using the Boltzmann transport theory within the relaxation time approximation. The relaxation time for electron–phonon scattering was calculated as 52,53 where N ( ε ) is the electronic density of states, k B is the Boltzmann constant, T L is the lattice temperature, ρ is the density of Te (= 6.050 g cm −3 ), ν s is the speed of sound (= 2000 m s −1 ) and E D is the deformation potential of the electronic band (= 4.0 eV). The thermoelectric coefficients were calculated from the transport distribution function given by 54 where ν k is the component of the group velocity of each carrier in the transport direction, E k is the energy of that electronic state, and τ k is total relaxation time.…”

Theoretical Design of Highly Efficient 2D Thermoelectric Device Based on Janus MoSSe and Graphene Heterostructure

“…The lattice thermal conductivity under relaxation time approximation is, where the sum is over all phonon bands b , v b , q is the group velocity of the phonon mode along the particular direction, τ b , q is the phonon mode relaxation time, and C b , q is the mode heat capacity. The relaxation time for the anharmonic scattering of phonons is calculated using the quasi-harmonic approximation as , where the adjustable parameter p is defined in our earlier reports. , …”

“…where the adjustable parameter p is defined in our earlier reports. 34,35 ■ RESULTS AND DISCUSSION Electrical Transport. The electronic band structures with atomistic contributions for MoSSe, PC, C-MoSSe, and PC-MoSSe heterostructure are shown in Figure 1.…”

Recent advances in designing thermoelectric materials

“…2 shows the maximum ZT achieved for bulk thermoelectric materials over the past six years as a function of temperature. 33–234…”