Strong d-π Orbital Coupling of Co-C Atomic Sites on Graphdiyne Boosts Potassium-Sulfur Battery Electrocatalysis.

Potassium-sulfur (K-S) batteries are severely limited by the sluggish kinetics of the solid-phase conversion of KS/KS to KS, the rate-determining and performance-governing step, which urgently requires a cathode with facilitated sulfur accommodation and improved catalytic efficiency. To this end, we leverage the orbital-coupling approach and herein report a strong d-π coupling catalytic configuration of single-atom Co anchored between two alkynyls of graphdiyne (Co-GDY). The d-π orbital coupling of the Co-C moiety fully redistributes electrons two-dimensionally across the GDY, and as a result, drastically accelerates the solid-phase KS/KS to KS conversion and enhances the adsorption of sulfur species.

Toward Complete Transformation of Sodium Polysulfides by Regulating the Second-Shell Coordinating Environment of Atomically Dispersed Fe.

Room temperature sodium-sulfur (RT Na-S) batteries are highly competitive as potential energy storage devices. Nevertheless, their actually achieved reversible capacities are far below the theoretical value due to incomplete transformation of polysulfides. Herein, atomically dispersed Fe-N/S active center by regulating the second-shell coordinating environment of Fe single atom is proposed.

Room-Temperature Sodium-Sulfur Batteries: Rules for Catalyst Selection and Electrode Design.

Seeking an optimal catalyst to accelerate conversion reaction kinetics of room-temperature sodium-sulfur (RT Na-S) batteries is crucial for improving their electrochemical performance and promoting the practical applications. Herein, theoretical calculations of interfacial interactions of catalysts and polysulfides in terms of the surface adsorption state, interfacial ions migration, and electronic concentration around the Fermi level are systematically proposed as guiding principles of catalyst selection for RT Na-S batteries. As a case, MoN catalyst is accurately selected from transition metal nitrides with different d orbital electrons, and for experiment, it is introduced into the carbon nanofibers as a dual-functioning host (MoN@CNFs).

An Open-Ended Ni S -Co S Heterostructures Nanocage Anode with Enhanced Reaction Kinetics for Superior Potassium-Ion Batteries.

Sulfides are perceived as promising anode materials for potassium-ion batteries (PIBs) due to their high theoretical specific capacity and structural diversity. Nonetheless, the poor structural stability and sluggish kinetics of sulfides lead to unsatisfactory electrochemical performance. Herein, Ni S -Co S heterostructures with an open-ended nanocage structure wrapped by reduced graphene oxide (Ni-Co-S@rGO cages) are well designed as the anode for PIBs via a selective etching and one-step sulfuration approach.