First-principles analysis of structural stability, electronic and phonon transport properties of lateral MoS2-WX2 heterostructures
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00389
Abstract: Abstract We performed first-principles-based methods to study the structural stability, electronic and phonon transport properties of lateral transition metal dichalcogenides. Specifically, we focused on the interface at the MoS2-WX2 heterostructures, where X = S or Se. The… read more here.
Keywords: phonon transport; first principles; electronic phonon; structural stability ... See more keywords
Improved Thermoelectric Performance of P-type SnTe through Synergistic Engineering of Electronic and Phonon Transports.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c23530
Abstract: SnTe has been regarded as a potential alternative to PbTe in thermoelectrics because of its environmentally friendly features. However, it is a challenge to optimize its thermoelectric (TE) performance as it has an inherent high… read more here.
Keywords: electronic phonon; thermoelectric performance; performance; phonon transports ... See more keywords
Improved Thermoelectric Performance of p-Type Argyrodite Cu8GeSe6 via the Simultaneous Engineering of the Electronic and Phonon Transports.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c02625
Abstract: Guided by the concept of "phonon-liquid electron-crystal", many n-type argyrodite compounds have been developed as candidates for thermoelectric (TE) materials. In recent years, the p-type Cu8GeSe6 (CGS) compound has attracted some attention in TEs due… read more here.
Keywords: electronic phonon; type argyrodite; phonon; phonon transports ... See more keywords
Impact of strain on the electronic, phonon, and optical properties of monolayer transition metal dichalcogenides XTe2 (X = Mo and W)
Sign Up to like & getrecommendations! Published in 2022 at "Physica Scripta"
DOI: 10.1088/1402-4896/ac57e0
Abstract: Here, we provide a systematic assessment of biaxial strain effects on the electronic, phonon, and optical properties of monolayer transition metal dichalcogenides (TMDs) XTe2 (X = Mo and W) using density functional theory calculations. We… read more here.
Keywords: properties monolayer; electronic phonon; strain; phonon optical ... See more keywords