A layered MPS3-type compound, FePS3, is introduced as an electrocatalyst for hydrogen evolution reaction (HER). The non-noble metal-based FePS3 is a semiconductor that could be solvent exfoliated into few-layer, two-dimensional (2D) nanosheets. The 2D thin sheets exhibit very good catalytic activity and stability toward HER over a wide pH range of acidic, alkaline, phosphate buffer, and 3.5 wt % aqueous NaCl solutions. The Tafel slope and exchange current density in acidic medium are determined to be ∼(45–50) mV dec–1 and 1 ± 0.2 × 10–3 A cm–2, respectively. The stability of the catalyst is found to be very good. Density functional theory calculations reveal P and S as favorable hydrogen adsorption sites. This material opens up a new class of ternary, layered semiconductors for various electrocatalytic studies and might also become important from a device physics point of view.

Electrically conducting, continuous films of different phases of palladium selenides are synthesized by the thermolysis of single source molecular precursors. The films are found to be adherent on flat substrates such as glass, indium tin oxide and glassy carbon and are stable under electrochemical conditions. They are electrocatalytically active and in particular, for hydrogen evolution reaction. Catalytic activities with low Tafel slopes of 50-60 mV per decade are observed.

DFT optimized titanium carbonitride (TiC0.7N0.3) nanowires have been shown to be an excellent air cathode for primary and rechargeable zinc air batteries.

Bifunctional catalysts can facilitate two different electrochemical reactions with conflicting characteristics. Here, a highly reversible bifunctional electrocatalyst for rechargeable zinc–air batteries (ZABs) is reported featuring a “core–shell structure” in which N‐doped graphene sheets wrap around vanadium molybdenum oxynitride nanoparticles. Single Mo atoms are released from the particle core during synthesis and anchored to electronegative N‐dopant species in the graphitic shell. The resultant Mo single‐atom catalysts excel as active oxygen evolution reaction (OER) sites in pyrrolic‐N and as active oxygen reduction reaction (ORR) sites in pyridinic‐N environments. ZABs with such bifunctional and multicomponent single‐atom catalysts deliver high power density (≈376.4 mW cm−2) and long cycle life of over 630 h, outperforming noble‐metal‐based benchmarks. Flexible ZABs that can tolerate a wide range of temperatures (−20 to 80 °C) under severe mechanical deformation are also demonstrated