Two-dimensional tetragonal AlOX (X = Cl, Br, or I) monolayers with promising photocatalytic performance: first-principles investigations.

It is of great significance to search for new two-dimensional materials with excellent photocatalytic water splitting properties. Here, the AlOX (X = Cl, Br, or I) monolayers were constructed to explore their electronic and optical properties as a potential photocatalyst and mechanism of high photocatalytic activity by first principles calculations, for the first time. The results show that the AlOX (X = Cl, Br, or I) monolayers are all dynamically and thermodynamically stable.

Multiscale Synergistic Gecko-Inspired Adhesive for Stable Adhesion under Varying Preload and Surface Roughness.

Inspired by geckos, fibrillar microstructures hold great promise as controllable and reversible adhesives in the engineering field. However, enhancing the adhesion strength and stability of gecko-inspired adhesives (GIAs) under complex real-world contact conditions, such as rough surfaces and varying force fields, is crucial for its commercialization, yet further research is lacking. Here, we propose a hierarchically designed GIA, which features a silicone foam (SF) backing layer and a film-terminated fibrillar microstructure under a subtle multiscale design.

Sublayer-Sulfur-Vacancy-Induced Charge Redistribution of FeCuS Nanoflower Awakening Alkaline Hydrogen Evolution.

Advancing the progress of sustainable and green energy technologies requires the improvement of valid electrocatalysts for the hydrogen evolution reaction (HER). Reconfiguring charge distribution through heteroatom doping-induced vacancy serves as an effective approach to implement high performance for HER catalysts. Here, we successfully fabricated Fe-doped CuS (FeCuS) with the sublayer sulfur vacancy to judge its HER performance and dissect the activity origins.

FeCoCuMnRuB Nanobox with Dual Driving of High-Entropy and Electron-Trap Effects as the Efficient Electrocatalyst for Water Oxidation.

High-entropy borides hold potential as electrocatalysts for water oxidation. However, the synthesis of the tailored nanostructures remains a challenge due to the thermodynamic immiscibility of polymetallic components. Herein, a FeCoCuMnRuB nanobox decorated with a nanosheet array was synthesized for the first time by a "coordination-etch-reduction" method.

A graphene/Janus BP heterostructure with a controllable Schottky barrier interlayer distance and electric field.

Lowering the Schottky barrier at the metal-semiconductor interface remains a stern challenge in the field of field-effect transistors. Herein, an in-depth investigation was conducted to explore the formation mechanism of the Schottky barrier interlayer distance and external electric field, utilizing the first-principles approach. Attributed to the vertical asymmetric structure of BP, ohmic contact forms at the interface of a graphene/BP(001) heterostructure, and an n-type Schottky contact with a Schottky barrier of 0.

Liquid metal assisted fabrication of MXene-based films: Toward superior electromagnetic interference shielding and thermal management.

The development of thin and flexible films that possess both electromagnetic interference (EMI) shielding and thermal management capabilities has always been an intriguing pursuit, but itisnevertheless a crucialproblemtoaddress. Inspired by the deformability of liquid metal (LM) and film forming capacity of MXene, here we present a series of ternary compositing films prepared via cellulose nanofiber (CNF) assisted vacuum filtration technology. Originating from the highly conductive LM/MXene network, the MLMC film presents a maximum EMI shielding effectiness (EMI SE) of 78 dB at a tiny thickness of 45 μm, together with a high specific EMI SE of 3046 dB mm.

Novel Janus MoSiGeN nanosheet: adsorption behaviour and sensing performance for NO and NO gas molecules.

A novel Janus MoSiGeN nanosheet is proposed for detecting poisonous gas molecules. Herein, the adsorption behaviour and sensing performance of both sides of the MoSiGeN monolayer to NO and NO gas molecules were investigated by first-principles calculations. Firstly, it is found that the MoSiGeN monolayer exhibits structural stability and indirect gap semiconductor characteristics.

Synergetic effect of photocatalysis and peroxymonosulfate activated by MFeO (M = Co, Mn, or Zn) for enhanced photocatalytic activity under visible light irradiation.

Nanosized MFeO (M = Co, Mn, or Zn) photocatalysts were synthesized a simple sol-gel method. MFeO photocatalysts exhibited lower photocatalytic activity for the degradation of levofloxacin hydrochloride under visible light irradiation. For enhancement of photocatalytic activity, MFeO was used to activate peroxymonosulfate and degrade levofloxacin hydrochloride under visible light irradiation.

Insights into the mechanism of the enhanced visible-light photocatalytic activity of a MoS/BiOI heterostructure with interfacial coupling.

An understanding of the high photocatalytic performance reported for MoS2/BiOI nanocomposite is far from satisfactory. Here, the interfacial interaction and electronic properties of a MoS2/BiOI heterostructure were investigated systematically for the first time by first-principle calculations incorporating a semi-empirical dispersion-correction scheme. Our results confirm the reasonable existence of van der Waals interactions and a favorable Z-scheme mechanism, based on the typical interfacial cohesive energy and the energy level lineup at the interface.

Defective ultra-thin two-dimensional g-CN photocatalyst for enhanced photocatalytic H evolution activity.

The two-dimensional semiconductor photocatalytic material has excellent photocatalytic H evolution activity. In order to further improve the hydrogen production activity of g-CN, this study improved the preparation process of g-CN and obtained a new photocatalyst (name H-CN) with a higher absorption range, larger specific surface area, and faster hydrogen production activity. Compared with the originally prepared g-CN, the H-CN absorption range has been improved, and the utilization of visible light has reached 650 nm.

Interfacial internal electric field and oxygen vacancies synergistically enhance photocatalytic performance of bismuth oxychloride.

Solar-to-chemical energy conversion is valuable and sustainable strategy for energy and environmental crisis through photocatalysis. The amorphous SnO modified BiOCl (Sn-BiOCl) full-spectrum-responsive catalysts were designed and synthesized through solvothermal method. The introduced Sn regulates the growth of BiOCl to form ultrathin nanosheets with surface oxygen vacancies.

CoNiO as a novel water oxidation cocatalyst to enhance PEC water splitting performance of BiVO.

A strategy is proposed for modifying BiVO photoanode with CoNiO as a novel water oxidation cocatalyst to enhance PEC water splitting performance. The results show that CoNiO has the following functions: reducing photogenerated charge recombination centers; providing trapping sites to promote charge separation; improving the stability of the overall system; providing more active sites; and offering a lower overpotential. The BiVO/CoNiO photoanode has a higher photocurrent density (1.

Novel recyclable BiOBr/FeO/RGO composites with remarkable visible-light photocatalytic activity.

Magnetic BiOBr/FeO/RGO composites with remarkable photocatalytic capability were prepared by a simple hydrothermal method to load 3D flower-like microspherical BiOBr onto the surface of FeO/RGO. Under visible-light irradiation ( > 420 nm), the BiOBr/FeO/RGO composite with 56% mass percentage of FeO/RGO shows the optimal removal ability for Rhodamine B, and the total removal efficiency is 96%. The coupling of FeO/RGO and BiOBr elevates the conduction band of BiOBr, which enhances the reduction level of BiOBr/FeO/RGO composites.

Large dipole moment induced efficient bismuth chromate photocatalysts for wide-spectrum driven water oxidation and complete mineralization of pollutants.

Herein, a wide-spectrum (∼678 nm) responsive Bi(CrO)O photocatalyst with a theoretical solar spectrum efficiency of 42.0% was successfully constructed. Bi(CrO)O showed highly efficient and stable photocatalytic water oxidation activity with a notable apparent quantum efficiency of 2.

Surface-Electron Coupling for Efficient Hydrogen Evolution.

Maximizing the activity of materials towards the alkaline hydrogen evolution reaction while maintaining their structural stability under realistic working conditions remains an area of active research. Herein, we report the first controllable surface modification of graphene(G)/V C heterostructures by nitrogen. Because the introduced N atoms couple electronically with V atoms, the V sites can reduce the energy barrier for water adsorption and dissociation.

Hydrothermal synthesis of BiWO with a new tungsten source and enhanced photocatalytic activity of BiWO hybridized with CN.

Bi2WO6 nanosheets were synthesized by a hydrothermal method with H2WO4 for the first time. The band structure of Bi2WO6 was investigated on the basis of density functional theory calculations. Bi2WO6 photocatalysts showed photocatalytic activity for the degradation of methylene blue under visible light irradiation.

Controlling electronic properties of MoS/graphene oxide heterojunctions for enhancing photocatalytic performance: the role of oxygen.

The manipulation of the constituents of novel hetero-photocatalysts is an effective method for improving photocatalytic efficiency, but a theoretical understanding of the relationship between interlayer interaction and photocatalytic activity is still lacking. Herein, the interfacial interactions and electronic properties of MoS/graphene oxide (GO) heterojunctions with various O concentrations were explored systematically by first-principles calculations. The results indicate that MoS and GO can form a stable van der Waals heterojunction, and enhance the built-in internal electric field from GO to the MoS surface with the increase in O concentration after interfacial equilibrium.

Probing π-π stacking modulation of g-CN/graphene heterojunctions and corresponding role of graphene on photocatalytic activity.

The photoelectrochemical properties of g-CN sheet are modified by the π-π stacking interaction with graphene, and the corresponding role of graphene on the surface chemical reactions is investigated by density functional theory. The calculated cohesive energies and the lattice mismatch energies indicate that g-CN and graphene are in parallel contact and can form a stable heterojunction. According to our calculated energy band structures and work functions of g-CN/graphene heterojunctions, the band edge modulations by graphene are discussed and corresponding photoinduced charge transfer processes are analyzed in detail.

Ultrathin TiO(B) Nanosheets as the Inductive Agent for Transfrering HO into Superoxide Radicals.

A reflux method to synthesize ultrathin polycrystalline TiO(B) nanosheets (NSs) which are assembled by single crystals, and further stacked into nanoflower structures, is described. On the basis of the theoretical calculations and experiments, HO can easily substitute the ethylene glycol adsorbed on the surface of TiO(B) NSs, forming HO-NS due to the lower adsorption energy and the unique structural features of ultrathin TiO(B) nanosheets. TiO(B) NSs and the HO system can be accelerated to generate superoxide radicals under heat or light and thus exhibit a great degradation property on dye molecules; the total organic carbon (TOC) removal rate was 6 times higher than that for HO alone.

Synthesis of CdWO4 nanorods and investigation of the photocatalytic activity.

CdWO4 nanorod photocatalysts were synthesized by a hydrothermal method. CdWO4 nanorod photocatalysts showed highly efficient photocatalytic activity for the degradation of methylene blue under ultraviolet light irradiation. On the basis of the experiment results, the difference in photocatalytic activities of the samples was mainly attributed to surface area, surface hydroxyl groups and defects which can act as inactivation centers.