Yayıncı "Amer Physical Soc" Makale Koleksiyonu için listeleme
Toplam kayıt 5, listelenen: 1-5
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Assessment on lattice thermal properties of two-dimensional honeycomb structures: Graphene, h-BN, h-MoS2, and h-MoSe2
(Amer Physical Soc, 2014)The linear thermal expansion coefficients of two-dimensional honeycomb structures graphene, h-BN, h-MoS2, and h-MoSe2 are systematically studied by using first-principles based quasiharmonic approximation. This approach ... -
Piezoelectricity in two-dimensional materials: Comparative study between lattice dynamics and ab initio calculations
(Amer Physical Soc, 2017)The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using ... -
Significant effect of stacking on the electronic and optical properties of few-layer black phosphorus
(Amer Physical Soc, 2015)The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first-principles calculations within the ... -
Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/Graphene Heterostructures by Functionalization of Graphene
(Amer Physical Soc, 2019)Using first-principles calculations, we evaluate the electrochemical performance of heterostructures made up of Ti2CO2 and chemically modified graphene for Li batteries. We find that heteroatom doping and molecule intercalation ... -
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach
(Amer Physical Soc, 2015)Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical ...