Tribo-piezoelectricity in Janus transition metal dichalcogenide bilayers: A first-principles study
Sign Up to like & getrecommendations! Published in 2019 at "Nano Energy"
DOI: 10.1016/j.nanoen.2018.11.027
Abstract: Abstract Semiconducting Janus transition metal dichalcogenides (TMDs) are attractive for application in nanoscale electricity harvesting devices as their strong out-of-plane piezoelectricity. Here our extensive first-principles calculations reveal that in-plane interlayer sliding of Janus MXY (M… read more here.
Keywords: janus transition; transition metal; piezoelectricity; janus ... See more keywords
Asymmetrically flexoelectric gating effect of Janus transition-metal dichalcogenides and their sensor applications
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Materials Chemistry C"
DOI: 10.1039/d0tc02610g
Abstract: High-performance nanodevices require fast and reversible tunability of electronic and optical properties under external stimuli. In the current work, using first-principles simulations and non-equilibrium Green function transport calculations, we demonstrate that bending can effectively and… read more here.
Keywords: flexoelectric gating; metal dichalcogenides; transition metal; janus transition ... See more keywords
van der Waals heterostructure for photocatalysis: Graphitic carbon nitride and Janus transition-metal dichalcogenides
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.3.095402
Abstract: Converting solar energy into chemical energy by splitting water is a promising means to generate a sustainable and renewable solution without detrimental environmental impact. The two-dimensional semiconductors serve as potential catalysts in this regard, and… read more here.
Keywords: janus transition; transition metal; van der; graphitic carbon ... See more keywords
High flexoelectric constants in Janus transition-metal dichalcogenides
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.3.125402
Abstract: Due to their combination of mechanical stiffness and flexibility, two-dimensional (2D) materials have received significant interest as potential electromechanical materials. Flexoelectricity is an electromechanical coupling between strain gradient and polarization. Unlike piezoelectricity, which exists only… read more here.
Keywords: metal dichalcogenides; transition metal; flexoelectric constants; janus transition ... See more keywords
Mechanical Behaviors in Janus Transition-Metal Dichalcogenides: A Molecular Dynamics Simulation
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12111910
Abstract: In this work, molecular dynamics simulations are performed to investigate the mechanical properties of Janus WSSe and MoSSe monolayers considering the effects of structural anisotropy, temperature, and tensile strain rates. The results demonstrate that Janus… read more here.
Keywords: metal dichalcogenides; transition metal; molecular dynamics; temperature ... See more keywords