Featuring high electrical conductivity and electrochemical activity, transition metal sulfides are promising materials for the positive electrode of hybrid supercapacitors. However, considering their poor cycling life rate performance, critical challenges remain. In this contribution, we describe hollow NiS2/CoS2@C composites obtained by stepwise etching, annealing, sulfuration ZIF-67. Specific...

The oxygen reduction reaction (ORR) on the cathode of a polymer electrolyte fuel cell requires use catalyst based Pt, one most expensive metals earth. A number strategies, including optimization different metal into core, have been investigated to enhance activity Pt-based and thus reduce loading Pt. By dedicating compounding high catalytic Pt2.7Pd0.3Ni concave cubic with index crystal face, pa...

The adsorption of penicillamine (PCA) on pure B12N12 and B12CaN12 nanocages in aqueous chloroform solvents has been evaluated using density functional theory (DFT) calculations. interaction PCA is chemisorption through its four nucleophilic sites: amine, carbonyl, hydroxyl thiol. most stable configuration was achieved when zwitterionic adsorbs via carbonyl group water with value ?1.723 eV, cont...

High-density carbon with high volumetric energy and power densities is desired for compact supercapacitors. However, most of the traditional solutions boosting density are based on pore regulation, resulting in an unreasonable sacrifice rate performance. Herein, from opposite perspective units’ orderly stacking, a new strategy compressing surplus pores between dual-scale units at nanometer micr...

We model fullerene nanocages filled with hydrogen, of the general formula Hn@Ck, and study the capacity of such endohedral fullerenes to store hydrogen. It is shown using density functional theory that for large numbers of encapsulated hydrogen atoms, some of them become chemisorbed on the inner surface of the cage. A maximum of 58 hydrogen atoms inside a C60 cage is found to still remain a met...