相关论文: Strain engineering of ion migration in LiCoO2

The production of new sensors, transducers and electronic components can benefit from the possibility to alter the electronic transport of metal-semicondutor-metal (MSM) devices. 2D materials are extremely appealing for those new…

Strain engineering has arisen as a powerful technique to tune the electronic and optical properties of two-dimensional semiconductors like molybdenum disulfide (MoS2). Although several theoretical works predicted that biaxial strain would…

We propose that the machinability of hard ceramics can be improved by reversible electrochemical doping. On the example of TiO2, we show in a combined density functional theory-molecular dynamics computational study that a small amount of…

Strain engineering, which aims to tune the bandgap of a semiconductor by the application of strain, has emerged as an interesting way to control the electrical and optical properties of two-dimensional (2D) materials. Apart from the changes…

A Twinning Induced Plasticity (TWIP) steel with a nominal composition of Fe-16.4Mn-0.9C-0.5Si-0.05Nb-0.05V was deformed to an engineering strain of 6\%. The strain around the deformation twins were mapped using the 4D-STEM technique. Strain…

Strain engineering is a promising approach for suppressing the OFF-state conductance in graphene-based devices that arises from Klein tunnelling. In this work, we derive a comprehensive tight-binding Hamiltonian for strained graphene that…

An atomistic study of the order-effect occurring in Li$_{x}$CoO$_{2}$ at $x=0.5$ is presented and an explanation for the computationally and experimentally observed dip in the Li diffusivity is proposed. Configurations where a single…

Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication on phonon thermal transport remains largely unexplored. Here,…

Tailoring magnetoresistance and magnetic anisotropy in van der Waals magnetic materials is essential for advancing their integration into technological applications. In this regard, strain engineering has emerged as a powerful and versatile…

We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…

VO2 is a strongly correlated material, which undergoes a reversible metal insulator transition (MIT) coupled to a structural phase transition upon heating (T= 67{\deg} C). Since its discovery the nature of the insulating state has long been…

Precise manipulation of electronic band structures of two-dimensional (2D) transition metal dichalcogenides and oxides (TMD&Os) via localised strain engineering is an exciting avenue for exploiting their unique characteristics for…

Pressure represents a clean tuning parameter for traversing the complex phase diagrams of interacting electron systems and as such has proved of key importance in the study of quantum materials. Application of controlled uniaxial pressure…

Layered LiMnO$_2$ and Li$_2$MnO$_3$ are of great interest for lithium-ion battery cathodes because of their high theoretical capacities. The practical application of these materials is, however, limited due to poor electrochemical…

Ion diffusion is a central part of materials physics of fabrication, deformation, phase transformation, structure stability and electrochemical devices. Conventional theory focuses on the defects that mediate diffusion and explains how…

Bonding geometry engineering of metal-oxygen octahedra is a facile way of tailoring various functional properties of transition metal oxides. Several approaches, including epitaxial strain, thickness, and stoichiometry control, have been…

Strain engineering has attracted significant attention in recent years due to its capability in tuning lattice and electronic structures of quantum materials. Using moderate uniaxial compressive strain, we induce structural phase separation…

We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…

We tested oxidized titanium layers as barriers for hybrid Josephson junctions with high $I_cR_n$-products and for the preparation of junctions for tunneling spectroscopy. For that we firstly prepared junctions with conventional…

Herein, we performed ab initio screening to identify the best doping of LiNiO2 to achieve improved cycle performance in lithium ion batteries. The interlayer interaction that dominates the c-axis contraction and overall performance was…