Strain engineering is a promising method to manipulate the electronic and optical properties of two-dimensional (2D) materials. However, with weak van der Waals interaction, severe slippage between 2D material and substrate could dominate the bending or stretching processes, leading to inefficiency strain transfer. To overcome this limitation, we report a simple strain engineering method by encapsulating the monolayer 2D material in the flexible PVA substrate through spin-coating approach. The strong interaction force between spin-coated PVA and 2D material ensures the mechanical strain can be effectively transferred with negligible slippage or decoupling. By applying uniaxial strain to monolayer MoS₂, we observe a higher bandgap modulation up to ~300 meV and a highest modulation rate of ~136 meV/%, which is approximate two times improvement compared to previous results achieved. Moreover, this simple strategy could be well extended to other 2D materials such as WS₂ or WSe₂, leading to enhanced bandgap modulation.

Spin-momentum coupling, which depends strongly on the relativistic effect of heavy elements in solids, is the basis of many phenomena in spintronics. In this Letter, we theoretically predict nonrelativistic spin-momentum coupling in two-dimensional materials. By proposing magnetic symmetry requirements for spin splitting in two-dimensional systems, we find that a simple twisting operation can realize nonrelativistic spin splitting in antiferromagnetic bilayers. Through first-principles calculations, we demonstrate that momentum-dependent spin splitting exists extensively in antiferromagnetic twisted bilayers with different crystal structures and twist angles. The size of the spin splitting caused by twisting is of the same order of magnitude as that arising from spin-orbit coupling. In particular, a transverse spin current with an extremely high charge-spin conversion ratio can be generated in twisted structures under an external electric field. The findings demonstrate the potential for achieving electrically controlled magnetism in materials without spin-orbit coupling.

The electronic transport properties in phenalenyl molecular device are studied by using nonequilibrium Green’s functions in combination with the density-functional theory. The results show that the electronic transport properties are strongly dependent on the contact geometry. The negative differential resistance behavior with large peak to valley ratio is observed when the molecule contacts the Au electrodes through two second-nearest sites or one second-nearest site and one third-nearest site, while the rectifying performance is observed only when the molecule contacts the Au electrodes through one second-nearest site and one third-nearest site. The mechanisms are proposed for these phenomena.

Motivated by the synthesized ${\mathrm{Cu}}_4{\mathrm{Ti}\mathrm{Se}}_4$ with ultralow room-temperature thermal conductivity [Angew. Chem., Int. Ed. 60, 9106 (2021)], we systematically investigate its thermoelectric (TE) properties via combining Boltzmann transport equations and first-principles calculations. The results show that the thermal conductivity of ${\mathrm{Cu}}_4{\mathrm{Ti}\mathrm{Se}}_4$ determined considering only three-phonon scattering is reduced by about 40% after including four-phonon scattering at room temperature, indicating the importance of four-phonon scattering in phonon transport. On the other hand, the coexistence of high dispersion and valley degeneracy at the top valence band in the electronic structure causes a high power factor. Consequently, the isotropic figure of merit (ZT) value of 1.5 at 500 K is captured in the p-type doped ${\mathrm{Cu}}_4{\mathrm{Ti}\mathrm{Se}}_4$. In addition, the value of ZT can be further enhanced to 2.2 by applying 2.25% triaxial tensile strain, which is ascribed to the remarkably enhanced four-phonon scattering processes induced by the tensile strain. Meanwhile, the significant suppression of thermal conductivity allows the optimal carrier concentration for the ZT peak to be reduced, which is of important practical significance for the experimental preparation of ${\mathrm{Cu}}_4{\mathrm{Ti}\mathrm{Se}}_4$-based TE devices. Our results pave a way for the design of adjustable medium-temperature TE devices.

There is an emergent demand for high-flexibility, high-sensitivity and low-power strain gauges capable of sensing small deformations and vibrations in extreme conditions. Enhancing the gauge factor remains one of the greatest challenges for strain sensors. This is typically limited to below 300 and set when the sensor is fabricated. We report a strategy to tune and enhance the gauge factor of strain sensors based on Van der Waals materials by tuning the carrier mobility and concentration through an interplay of piezoelectric and photoelectric effects. For a SnS₂ sensor we report a gauge factor up to 3933, and the ability to tune it over a large range, from 23 to 3933. Results from SnS₂, GaSe, GeSe, monolayer WSe₂, and monolayer MoSe₂ sensors suggest that this is a universal phenomenon for Van der Waals semiconductors. We also provide proof of concept demonstrations by detecting vibrations caused by sound and capturing body movements.