相关论文: Interfacial Strain Effects on Lithium Diffusion Pa…
Room-temperature (RT) conductivity of most candidates for solid electrolytes of miniaturized lithium-ion batteries is still 1-2 orders of magnitude below commercial requirements, therefore several approaches are being pursued aiming the…
The interrelation between the epitaxial strain and oxygen deficiency in La0.7Ca0.3MnO3-{\delta} thin films was studied in terms of structural and functional properties. The films with a thickness of 1000{\AA} were prepared using a PLD…
We report on surface effects on the electronic properties of interfaces in epitaxial LaAlO$_3$/SrTiO$_3$ heterostructures. Our results are based on first-principles electronic structure calculations for well-relaxed multilayer…
The sensitive dependence of electronic and thermoelectric properties of MoS$_2$ on the applied strain opens up a variety of applications in the emerging area of straintronics. Using first principles based density functional theory…
We have studied electrical transport and magnetic properties of epitaxial La_0.66 Sr_0.33 Mn O_3 thin films grown on different substrates having different lattice strains induced by different film-substrate lattice-mismatch. Both electrical…
Tuning physical properties of transition metal dichalcogenide (TMD) monolayers by strain engineering have most widely studied, and recently Janus TMD monolayer MoSSe has been synthesized. In this work, we systematically study biaxial strain…
Strain engineering can modulate the material properties of two-dimensional (2D) semiconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron…
We report a strong thickness dependence of the complex frequency-dependent optical dielectric function in epitaxial CaMnO3(001) thin films on SrTiO3(001), LaAlO3(001), and SrLaAlO4(001) substrates. A doubling of the peak value of the…
The crystal structure of bulk SrTiO$_3$(STO) transitions from cubic to tetragonal at around 105K. Recent local scanning probe measurements of LaAlO$_3$/SrTiO$_3$ (LAO/STO) interfaces indicated the existence of spatially inhomogeneous…
The effect of the curvature of bilayer graphene on the interlayer diffusion of Li atoms is investigated using molecular dynamics simulations. A spectacular enhancement of the diffusion constant parallel to the folding axis is found. The…
The impact of epitaxial strain on the structural, electronic, and thermoelectric properties of p-type transparent Sr-doped LaCrO3 thin films has been investigated. For this purpose, high-quality fully strained La0.75Sr0.25CrO3 (LSCO)…
Use of lithium as a surface coating in fusion devices improves plasma performance, but the change in wall properties affects the secondary electron emission properties of the material. Lithium oxidizes easily, which drives the emission…
Experimentally the spin dependence of inelastic collisions between ytterbium (Yb) in the metastable 3P0 state and lithium (Li) in the Li ground state manifold is investigated at low magnetic fields. Using selective excitation all magnetic…
Ultra-thin film of FeRh on insulator MgO substrate has been investigated usingab-initio electronic structure calculations. From this calculation, we have found the interesting effect of epitaxial strain on the magnetocrystalline anisotropy…
In this work, we adopt first-principle calculations based on density functional theory and Kinetic Monte Carlo simulations to investigate the adsorption and diffusion of lithium in bilayer graphene (BLG) as anodes in lithium-ion batteries.…
Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…
Based on ab initio calculations, we examine the incorporation of Li atoms in the MoS2/graphene interface. We find that the intercalated Li atoms are energetically more stable than Li atoms adsorbed on the MoS2 surface. The intercalated…
The electrical resistance of the two-dimensional electron system (2DES) which forms at the interface of SrTiO3 (STO)-based heterostructures displays anisotropic transport with respect to the direction of current flow at low temperature. We…
With the advances in low dimensional transition metal dichalcolgenides (TMDCs) based metal oxide semiconductor field effect transistor (MOSFET), the interface between semiconductors and dielectrics has received considerable attention due to…
We study the refraction effect of electronic wave in hole-doped lateral heterojunctions of metallic and semiconducting transition-metal dichalcogenide monolayers. This effect is theoretically investigated in 2$H$-type MoSe$_2$-NbS$_2$ and…