  We systematically study the effect of high pressure on the structure,
electronic structure and transport properties of 2H-MoS$_2$, based on
first-principles density functional calculations and the Boltzmann transport
theory. Our calculation shows a vanishing anisotropy in the rate of structural
change at around 25 GPa, in agreement with the experimental data. A conversion
from van der Waals(vdW) to covalent-like bonding is seen. Concurrently, a
transition from semiconductor to metal occurs at 25 GPa from band structure
calculation. Our transport calculations also find pressure-enhanced electrical
conductivities and significant values of the thermoelectric figure of merit
over a wide temperature range. Our study supplies a new route to improve the
thermoelectric performance of MoS$_2$ and of other transition metal
dichalcogenides by applying hydrostatic pressure.
