Rational design of covalent organic frameworks has been performed for efficient photocatalytic H 2 O production without using any sacrificial agent.

Selective hydrogenation of alkynes to alkenes plays a crucial role in the synthesis fine chemicals. However, how achieve high selectivity and effective separation catalyst substrate while obtaining activity is key for this reaction. In work, Pd single-atom anchored shell magnetic core-shell particles that consist Ni-nanoparticles core graphene sheets (Ni@G) semi-hydrogenation phenylacetylene, delivering 93% styrene at full conversion with robust turnover frequency 7074 h-1 under mild...

Conjugated polymers (CPs) represent a promising platform for photocatalytic CO2 fixation owing to their suitable band structures that meet the requirements of reduction potential value-added fuels. However, performance CPs is rather restrained by low charge transfer efficiency. Herein, we rationally designed three with more delocalized electronic transmission channel and planar molecular structure, which are regarded evidently reduce exciton binding energy (Eb ) accelerate internal process....

Photocatalytic synthesis of H

Bilayer ZrS₂-based vdW heterostructures are proposed as efficient photocatalysts for water splitting under visible light.

Since the turn of new century, increasing demand for high-performance energy storage systems has generated considerable interest in rechargeable ion batteries.

The conversion of ethane, a main component natural gas, to ethylene feed stock has attracted widespread attention since the worldwide shale gas revolution. Thermal catalysis ethane ethylene, mainly oxidative dehydrogenation, faces fundamental challenge low conversion, selectivity, and catalyst coking. This work demonstrates an efficient in nonoxidative dehydrogenation process proton-conducting solid oxide electrolyzer at ambient pressure 700 °C. We show highest 75.2% ∼100% selectivity even...

Lead-free halide double perovskites (DPs) have attracted great attention due to their stability, nontoxicity and good photophysical property. In this work, we report a new, small-bandgap Cs2CuSbCl6 DP nanocrystals (NCs) with bandgap of 1.66 eV, which is the smallest in reported lead-free three-dimensional NCs. Density functional theory calculations confirm that has an indirect 1.70 agreement experimental result. The property NCs studied by combination femtosecond transient absorption (TA)...

Abstract The use of metal-free carbon nitride and light to drive catalytic transformations constitutes a sustainable strategy for organic synthesis. At the moment, enhancing intrinsic activity CN catalysts by tuning interfacial coupling between catalyst substrate remains challenging. Herein, we demonstrate that urea-derived with abundant −NH 2 groups relative positive charged surface could effectively complex deprotonated anionic intermediate improve adsorption reactants on surface....

Covalent triazine frameworks (CTFs) represent promising polymeric photocatalysts for photocatalytic hydrogen production with visible light. However, the separation and transfer of charges in CTFs are isotropic because uniform distribution donor-acceptor motifs skeleton. Herein, to achieve anisotropic charge carrier migration, thiophene (Th) or benzothiadiazole (BT) unit is selected as dopant modify molecular structure CTF-based photocatalysts. Both theoretical experimental studies reveal...

Abstract The indirect anthraquinone method is currently used to produce H 2 O , but it leads high energy consumption and a large amount of chemical waste. Alternatively, water oxidation reactions offer potential green approach for production, although constrained by low selectivity. Herein, the functional photoanodes are rationally designed production via photocatalytic oxidation. Specifically, P/Mo co‐doped BiVO 4 films achieved on conductive glass serve as layer, which coated with an...

A 3D non-interpenetrating porous metal–organic framework shows electrocatalytic activity for water oxidation in alkaline solution.

High-order-harmonic generation in \ensuremath{\alpha}-quartz $\mathrm{Si}{\mathrm{O}}_{2}$ is theoretically investigated under a strong laser field by solving the extended semiconductor Bloch equations. The accurate band structures as well dipole moments between different bands are obtained from state-of-the-art first-principles calculations. We find that shapes of $k$-space-dependent play an important role harmonic generation. calculated results show conversion efficiency significantly...

We theoretically explored the adsorption and diffusion properties of oxygen several harmful gases penetrating graphdiyne monolayer. According to our first-principles calculations, oxidation acetylenic bond in needs surmount an energy barrier ca. 1.97 eV, implying that remains unaffected under oxygen-rich conditions. In a broad temperature range, with well-defined nanosized pores exhibits perfect performance for separation from typical noxious gases, which should be great potential medical...

Moiré pattern superlattice formed by 2D van der Waals layered structures have attracted great attention for diverse applications. In experiments, the enhancement of catalytic performance in twisted bilayer systems is reported while its mechanism remains unclear. From high-accuracy first-principles and time-dependent ab initio nonadiabatic molecular dynamics calculations, ultrafast interlayer charge transfer within 120 fs, excellent separation, improved visible-light absorption, satisfactory...

Abstract Reversible protonic ceramic electrochemical cells (R‐PCECs) have garnered significant attention owing to their proficiency in efficiently converting and storing energy. The performance of R‐PCECs is largely limited by the activity durability oxygen reduction/evolution reactions air electrodes. Herein, an Nb Y doped cobalt‐based double perovskite PrBaCo 1.8 0.1 O 5+δ (denoted as PBCNY) reported. however situ assembled into a deficient‐PrBa 1−x Co 0.1−x parental phase Ba 2 YNbO 6...

Abstract Lead‐free halide perovskites and their variants have attracted great attention due to non‐toxicity good photophysical properties. Here, a series of undoped antimony‐doped all‐inorganic, 0D, indium‐based perovskite variant nanocrystals (NCs): (Rb x Cs 1− ) 3 InCl 6 :Sb (0 ≤ 1) NCs, is reported. Among them, Sb‐doped NCs exhibit green emission. Mixing Rb‐Cs show the higher photoluminescence (PL) quantum efficiency (PLQE) better stability than unalloyed ( = 0 or 1). The effect crystal...

Conjugated polymers (CPs) have garnered increasing attention in the field of photocatalysis due to their stability and molecular tunability. Understanding structure-property relationship CPs addressing appropriate design strategies are pivotal improving photocatalytic performance CPs. Herein, a new efficient cyano (CN) engineering approach was proposed promote CPs, three representative CP-based photocatalysts with different CN contents were tailor-made investigate between functionalization...

Protonic ceramic electrochemical cells (PCECs) have received considerable attention as they can directly generate electricity and/or produce chemicals. Development of the electrodes with trifunctionalities oxygen reduction/evolution and nonoxidative ethane dehydrogenation is yet challenging. Here these findings are reported in design trifunctional for PCECs a detailed composition Mn

Elevating the long‐wavelength activation of photocatalysts represents a formidable approach to optimizing sunlight utilization. Polythiophene (PTh), although renowned for its robust light absorption and excellent conductivity, is largely overlooked potential as photocatalyst due swift recombination photogenerated charge carriers. Herein, we unveil that strategic introduction an aromatic ring containing varying nitrogen content into PTh instigates polarized distribution facilitates narrowing...

As a crystalline allotrope of carbon nitrides, poly(heptazine imide) (PHI) exhibits great potential for photocatalytic biomass conversion. However, its activity is greatly constrained due to insufficient charge migration and severe non‐radiative recombination. To address this issue, PHI with high interlayer stacking orderliness fabricated through facile ion exchange strategy. Characterizations reveal that rational modification the mode could efficiently suppress recombination improve...