Ara
Toplam kayıt 48, listelenen: 31-40
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 ...
Shape Memory Behavior of [111]-Oriented NiTi Single Crystals After Stress-Assisted Aging
(Chinese Acad Sciences, Inst Metal Research, 2016)
The shape memory behavior of [111]-oriented Ni51Ti49 (at.%) single crystals was investigated after stress assisted aging at 500 degrees C for 1.5 h under a compressive stress of -150 MPa. It was found that a single family ...
Equilibrium limit of thermal conduction and boundary scattering in nanostructures
(Amer Inst Physics, 2014)
Determining the lattice thermal conductivity (kappa) of nanostructures is especially challenging in that, aside from the phonon-phonon scattering present in large systems, the scattering of phonons from the system boundary ...
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 ...
Gate induced monolayer behavior in twisted bilayer black phosphorus
(IOP Publishing LTD, 2017)
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the ...
Mo2C as a high capacity anode material: a first-principles study
(Royal Soc Chemistry, 2016)
The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. ...
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 ...
Peculiar Piezoelectric Properties of Soft Two-Dimensional Materials
(American Chemical Society, 2016)
Group II-VI semiconductor honeycomb monolayers have a noncentrosymmetric crystal structure and therefore are expected to be important for nano piezoelectric device applications. This motivated us to perform first principles ...
Mechanical and thermal properties of h-MX2 (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study
(Amer Inst Physics, 2014)
Using density functional theory, we obtain the mechanical and thermal properties of MX2 monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The C-centered phonon frequencies (i.e., A(1), A(2)'', E ', and E ''), relative ...
Electronic, phononic, and thermoelectric properties of graphyne sheets
(Amer Inst Physics, 2014)
Electron, phonon, and thermoelectric transport properties of a-, b-, c-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. a-, b-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, ...