Thermoelectric properties of bulk and bilayer two-dimensional （2D） MoS2/MoSe2 het- erostructures are investigated using density functional theory in conjunction with semi- classical Boltzmann transport theory. It is...Thermoelectric properties of bulk and bilayer two-dimensional （2D） MoS2/MoSe2 het- erostructures are investigated using density functional theory in conjunction with semi- classical Boltzmann transport theory. It is predicted that the bulk 2D heterostructures could considerably enhance the thermoelectric properties as compared with the bulk MoSe2. The enhancement originates from the reduction in the band gap and the presence of interlayer van der Waals interactions. We therefore propose the 2D MoS2/MoSe2 heterostructures as a possible candidate material for thermoelectric applications.展开更多
The author generalized the propagator function theory introduced first by Sigmund, and gave a explicitly proof of a equivalence between forward and backward Boltzmann equations in a multi component medium by using the...The author generalized the propagator function theory introduced first by Sigmund, and gave a explicitly proof of a equivalence between forward and backward Boltzmann equations in a multi component medium by using the generalized propagator function theory.展开更多
文摘Thermoelectric properties of bulk and bilayer two-dimensional （2D） MoS2/MoSe2 het- erostructures are investigated using density functional theory in conjunction with semi- classical Boltzmann transport theory. It is predicted that the bulk 2D heterostructures could considerably enhance the thermoelectric properties as compared with the bulk MoSe2. The enhancement originates from the reduction in the band gap and the presence of interlayer van der Waals interactions. We therefore propose the 2D MoS2/MoSe2 heterostructures as a possible candidate material for thermoelectric applications.
基金The scientific research fund from the Educational Bureau of Anhui ProvinceP.R.C.(2 0 0 1Kj2 2 6)
文摘The author generalized the propagator function theory introduced first by Sigmund, and gave a explicitly proof of a equivalence between forward and backward Boltzmann equations in a multi component medium by using the generalized propagator function theory.
