Inspired by the excellent stability exhibited by experimentally synthesized two-dimensional(2D)MoSi_(2)N_(4) layered material,the thermal and electronic transport,and thermoelectric(TE)properties of MgAl2Te4 monolayer...Inspired by the excellent stability exhibited by experimentally synthesized two-dimensional(2D)MoSi_(2)N_(4) layered material,the thermal and electronic transport,and thermoelectric(TE)properties of MgAl2Te4 monolayer are systematically investigated using the First-principles calculations and Boltzmann transport theory.The mechanical stability,dynamic stability,and thermal stability(900 K)of the MgAl_(2)Te_(4) monolayer are demonstrated,respectively.The MgAl_(2)Te_(4) monolayer exhibits a bandgap of 1.35 eV using the HSE06 functional in combination with spin-orbit coupling(SOC)effect.Band convergence in the valence band is favorable to improve the thermoelectric properties.The rattling thermal damping effect caused by the weak bonding of Mgsingle bondTe bonds in MgAl2Te4 monolayer leads to ultra-low lattice thermal conductivity(0.95/0.38 W/(m·K)@300 K along the x-/y-direction),which is further demonstrated by the phonon group velocities,phonon relaxation time,Grüneisen parameters,and scattering mechanisms.The optimal zT of 3.28 at 900 K is achieved for the p-type MgAl_(2)Te_(4) monolayer,showing the great promising prospect for the excellent p-type thermoelectric material.Our current work not only reveals the underlying mechanisms responsible for the excellent TE properties,but also elaborates on the promising thermoelectric application of MgAl_(2)Te_(4) monolayer material at high temperature.展开更多
The Late Triassic is one of the key breakup periods of the eastern Gondwana margin and early-stage evolution of the Neo-Tethys,which traversed Laurasia and Gondwana at that time.A series of Late Triassic marine sedime...The Late Triassic is one of the key breakup periods of the eastern Gondwana margin and early-stage evolution of the Neo-Tethys,which traversed Laurasia and Gondwana at that time.A series of Late Triassic marine sedimentary sequences,preserved within the Himalaya(e.g.Tethyan Himalaya)of southern Tibet,provides crucial and reliable information for understanding geological evolution processes.展开更多
基金Financial supports from the National Natural Science Foundation of China(21503039)Department of Science and Technology of Liaoning Province(2019MS164)+1 种基金Department of Education of Liaoning Province(LJ2020JCL034)Discipline Innovation Team of Liaoning Technical University(LNTU20TD-16)are greatly acknowledged.
文摘Inspired by the excellent stability exhibited by experimentally synthesized two-dimensional(2D)MoSi_(2)N_(4) layered material,the thermal and electronic transport,and thermoelectric(TE)properties of MgAl2Te4 monolayer are systematically investigated using the First-principles calculations and Boltzmann transport theory.The mechanical stability,dynamic stability,and thermal stability(900 K)of the MgAl_(2)Te_(4) monolayer are demonstrated,respectively.The MgAl_(2)Te_(4) monolayer exhibits a bandgap of 1.35 eV using the HSE06 functional in combination with spin-orbit coupling(SOC)effect.Band convergence in the valence band is favorable to improve the thermoelectric properties.The rattling thermal damping effect caused by the weak bonding of Mgsingle bondTe bonds in MgAl2Te4 monolayer leads to ultra-low lattice thermal conductivity(0.95/0.38 W/(m·K)@300 K along the x-/y-direction),which is further demonstrated by the phonon group velocities,phonon relaxation time,Grüneisen parameters,and scattering mechanisms.The optimal zT of 3.28 at 900 K is achieved for the p-type MgAl_(2)Te_(4) monolayer,showing the great promising prospect for the excellent p-type thermoelectric material.Our current work not only reveals the underlying mechanisms responsible for the excellent TE properties,but also elaborates on the promising thermoelectric application of MgAl_(2)Te_(4) monolayer material at high temperature.
文摘The Late Triassic is one of the key breakup periods of the eastern Gondwana margin and early-stage evolution of the Neo-Tethys,which traversed Laurasia and Gondwana at that time.A series of Late Triassic marine sedimentary sequences,preserved within the Himalaya(e.g.Tethyan Himalaya)of southern Tibet,provides crucial and reliable information for understanding geological evolution processes.
