Using first-principles calculations, the photocatalytic performances of two dimensional (2D) few-layer group-III metal monochalcogenides MXs (M = Ga, In; X= S, Se) towards overall water splitting reaction are systematically investigated.

Quasi solid-state gels with a deep eutectic solvent that has the advantages of non-volatility, low cost and easy preparation can exhibit high thermoelectric properties, comparable to ionogels consisting ionic liquids.

Ionic conductors have emerged as next-generation thermoelectric materials mainly due to their high thermopower of 10 0 –10 1 mV K −1 . This article provides a review the most recent discoveries and development ionic materials.

Abstract To efficiently harvest the abundant waste heat on earth is of great significance for sustainable development. Thermoelectric materials can be used to directly convert into electricity, and ionic thermoelectric like liquids (ILs) are considered as next‐generation materials. It important develop novel methods improve overall properties particularly thermopower. Herein, enhancement in thermopower 1‐ethyl‐3‐methylimidazolium dicyanamide (EMIM:DCA) reported that an IL by introducing...

Abstract Van der Waals (vdW) heterostructures, which have the advantage of integrating excellent properties stacked 2D materials by vdW interactions, gained increasing attention recently. In this work, within framework density functional theory calculations, electronic heterostructure composed phosphorene (BP) in black phosphorus phase and GeS monolayer are systematically explored. The results show that carriers not separated for both lattice‐match lattice‐mismatch heterostructures. For...

Black phosphorus is a layered semiconducting allotrope of with high carrier mobility. Its monolayer form, phosphorene, an extremely fashionable two-dimensional material which has promising potential in transistors, optoelectronics and electronics. However, phosphorene-like analogues, especially phosphorene-based heterostructures their layer-controlled electronic properties, are rarely systematically investigated. In this paper, the layer-dependent structural properties materials, i.e., mono-...

Mixed ion-electron thermoelectric converters (MTECs) using ionogels consisting of single-walled carbon nanotubes (SWNTs) are demonstrated. They can convert heat into electricity from both a temperature fluctuation and gradient.

Abstract Ionic thermoelectric (TE) materials are promising candidate for efficient heat harvesting mainly because they can have a thermopower higher than the electronic TE by 2–3 orders in magnitude. However, cannot be directly exploited conventional generators (TEGs) since ions transport across electrodes into external circuit, and used to harvest under steady temperature gradient. Here, mixed ion/electron generator (MTEG) is reported that continuously generate electricity not only...

Flexible sensors have attracted great attention because of their important applications in many areas. It is to monitor the surface starch-based food during processing it can provide key information related appearance, texture level, and chewiness food. However, there no report on real-time monitoring steamed bread literature. Here, we a self-adhesive stretchable compliant sensor that be mounted provides signals for steaming process. The consisting biocompatible...

The strategy of forming lateral heterostructures by stitching various two-dimensional materials overcomes the limitations due to restricted properties single-component materials. In this work, using first-principles calculations, electronic GeS/SnS heterostructures, together with effect strain, were systematically investigated. results showed that increasing tensile strain along zigzag direction band gap displays an extremely interesting variation: it linearly increases in beginning until...

Despite their wide presence in hcp metals, incoherent tilt grain boundaries (ITGBs) are rarely studied. In this work, first-principles calculations were combined with atomic-resolution HAADF-STEM analyses to investigate the structure and formation of one special type ITGB an Mg-Gd alloy featured a unique Gd-rich cluster segregation pattern. Our results suggested as mirror-glide boundary formed by gliding atoms along [202¯1¯] {101¯4}<202¯1¯> coherent twin due its interaction stacking faults....

First-principles calculations were performed to investigate the structures and energetics of coherent twin boundaries (CTBs) glide (GTBs) in hexagonal close-packed (hcp) Ti. The formation mechanism GTBs their correlation with growth fundamentally explored. Results suggested that can form from gliding CTBs, through interaction basal stacking fault. eventually restored CTB by forming a pair single-layer twinning disconnections. pile-up disconnections should be responsible for wide steps at as...

We systematically study, by using first-principles calculations, stabilities, electronic properties, and optical properties of GexSn1-xSe alloy made SnSe GeSe monolayers with different Ge concentrations x = 0.0, 0.25, 0.5, 0.75, 1.0. Our results show that the critical solubility temperature is around 580 K. With increase concentration, band gap increases nonlinearly ranges from 0.92 to 1.13 eV at PBE level 1.39 1.59 HSE06 level. When concentration more than changes into a direct bandgap...

First-principles calculations were performed to investigate the structures and energetics of {10-1n} coherent twin boundaries (CTBs) glide (GTBs) in hexagonal close-packed Ti, explore formation mechanism GTBs its correlation with growth. Results suggested can form from gliding CTBs, induced by basal stacking fault. The eventually restore CTB newly formed pairs single-layer twinning dislocations. Further movement dislocations promotes Possible effects various alloying solutes on pinning also...