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Two-dimensional layered transition metal dichalcogenides are potential thermoelectric candidates with application in on-chip integrated nanoscale cooling and power generation. Here, we report a comprehensive experimental and theoretical study on the in-plane thermoelectric transport properties of thin 2H-MoTe2 flakes prepared in field-effect transistor geometry to enable electrostatic gating and modulation of the electronic properties. The thermoelectric power factor is enhanced by up to 45% using electrostatic modulation. The in-plane thermal conductivity of 9.8 ± 3.7 W m−1 K−1 is measured using the heat diffusion imaging method in a 25 nm thick flake. First-principles calculations are used to obtain the electronic band structure, phonon band dispersion, and electron–phonon scattering rates. The experimental electronic properties are in agreement with theoretical results obtained within energy-dependent relaxation time approximation. The thermal conductivity is evaluated using both the relaxation time approximation and the full iterative solution to the phonon Boltzmann transport equation. This study establishes a framework to quantitively compare first-principle-based calculations with experiments in 2D layered materials. 

We report on the synthesis of self-intercalated Nb1+xSe2 thin films by molecular beam epitaxy. Nb1+xSe2 is a metal-rich phase of NbSe2 where additional Nb atoms populate the van der Waals gap. The grown thin films are studied as a function of the Se to Nb beam equivalence pressure ratio (BEPR). X-ray photoelectron spectroscopy and x-ray diffraction indicate that BEPRs of 5:1 and greater result in the growth of the Nb1+xSe2 phase and that the amount of intercalation is inversely proportional to the Se to Nb BEPR. Electrical resistivity measurements also show an inverse relationship between BEPR and resistivity in the grown Nb1+xSe2 thin films. A second Nb-Se compound with a stoichiometry of ∼1:1 was synthesized using a Se to Nb BEPR of 2:1; in contrast to the Nb1+xSe2 thin films, this compound did not show evidence of a layered structure. 

Among group VI transition metal dichalcogenides, MoTe 2 is predicted to have the smallest energy offset between semiconducting 2H and semimetallic 1T′ states. This makes it an attractive phase change material for both electronic and optoelectronic applications. Here, we report fast, nondestructive, and full phase change in Al 2 O 3 -encapsulated 2H-MoTe 2 thin films to 1T′-MoTe 2 using rapid thermal annealing at 900 °C. Phase change was confirmed using Raman spectroscopy after a short annealing duration of 10 s in both vacuum and nitrogen ambient. No thickness dependence of the transition temperatures was observed for flake thickness ranging from 1.5 to 8 nm. These results represent a major step forward in understanding the structural phase transition properties of MoTe 2 thin films using external heating and underline the importance of surface encapsulation for avoiding thin film degradation.