A series of environmentally benign and highly efficient Z-scheme Ni-doped CuWO4 nanoparticles on graphitic carbon nitride (g-C3N4) were synthesized.

Selective reduction of various nitroarenes to amines was achieved up to 93% under autoclave condition in isopropanol using catalytic amount of palladium oxide/copper oxide (PdO/CuO) nanoparticles (NPs) supported on mesoporous zeolite-Y, PdO/CuO-Y. The catalyst was also found to be highly effective for one-pot cascade synthesis of the 3,3′-diaminobiphenyl from 3-nitrophenylboronic acid (NPBA). The hybridization of PdO/CuO-Y with multiwalled carbon nanotubes (MWCNTs) resulted in a highly effective and durable electrocatalyst for the methanol oxidation reaction (MOR). The mass activity of the electrocatalyst was found to be 690 A/g and was stable for 4000 s. The catalytic activity of the PdO/CuO-Y catalyst was found to be superior in terms of productivity and recyclability in comparison to that of the bared PdO/CuO NPs separated by the ultracentrifugation (UC) method. On the other hand, the one modified with the carbon matrix retained the same activity and reduced the reaction time in nitroarene reduction reaction (NAR) under identical conditions. Electrochemical studies and density functional theory (DFT) calculations were performed to understand the mechanism of the NAR process. Both the experimental and theoretical evidence explicitly demonstrated the individual role of both palladium (Pd) and copper (Cu). Pd was found to be the active site for nitroarene interaction, while CuO NPs played an important role in isopropanol oxidation.

Metal‐metal triple bonds featuring s‐block element have not been reported until now. Only Be−Be double bonds between have been predicted theoretically based on the intuitive electron donation from four s1 type electron‐donating ligands. Herein, we theoretically predicted a novel species featuring a Be−Be triple bond in the Li6Be2 molecule. The molecule was found to be thermodynamically stable. The presence of the triple bond was confirmed by adaptive natural density partitioning (AdNDP), electron localization function (ELF), and atoms in molecules (AIM) analyses. Moreover, the mechanical strength of the Be−Be triple bond was analyzed by using compliance matrix, pointing towards its ultra‐weak nature.

Aromaticity is one of the central concept in chemisty which leads to the stability of many cluseters with interesting structural motiff. Herein, a cationic BBe6H6 cluster featuring a planar hexacoordinate...

The challenge to develop a highly efficient and affordable electrocatalyst for the oxygen evolution reaction (OER) could be fulfilled by a newly developed transition metal boron amorphous alloy electrocatalyst. This could successfully improve the overall efficiency of the electrochemical water splitting. Herein, we demonstrate the development of an entirely new Cu−Co−B amorphous alloy nanosheet (NS), which can act as an industrially promising electrocatalyst for the OER. Among a series of studied compositions, surface activated CuCo 2 B NSs with 5−6 nm thickness offer highly promising OER performances with an exceptionally high current density of 1000 mA cm −2 at 270 mV of overpotential (η) in a 1.0 M KOH electrolyte. It can also afford η 100 = 204 mV and η 500 = 256 mV, which remains intact for 60 h, with the lowest Tafel slope and charge transfer resistance and the highest electrochemically active sites with a promising turnover frequency and 87% Faradaic efficiency. It also fulfills the commercial requirement criteria of the OER process in 30 wt % KOH. Extensive experimental analyses led to a Cu−Co synergistic-based mechanism by the in situ formed active sites for the adsorption of *OH and *OOH reaction species, reconstruction of the catalyst surface by forming a metal hydroxides/oxyhydroxides precatalyst, modulation of electronic structure due to the rich defect nature, and topological disorder of the amorphous catalyst. Density functional theory (DFT) studies reveal that CuCo 2 B NSs are the most promising candidates for OER due to the lowest barrier for OER and thus the lowest adsorption energies, and the Cu-centers effectively and synergistically enhance the OER.