DFT calculations have further revealed that the coupling of a Mo atom and MoO 3 can facilitate the rapid decomposition of H 2O and generate highly active sites by steric hindrance, thereby enabling high bifunctional activity.
#RU LATTICE ENERGY FREE#
d Free energy diagrams for hydrogen adsorption at different sits. Energy Gap Narrowing at High Doping Levels. c Calculated PDOS of Ru/MoS2 before and after the applied strain. Basic Parameters of Band Structure and carrier concentration. Band structure and carrier concentration. Furthermore, a high mass activity of 2.45 A mg Ru −1 towards the HOR in 0.1 M KOH with high stability is also achieved. Physical properties of Gallium Arsenide (GaAs) Basic Parameters at 300 K. In detail, 16 mV is sufficient to drive 10 mA cm −2 for the HER in 1 M KOH with a durable stability of 250 h. As a result, the surface electronic properties and lattice structures of Ru nanosheets have been dramatically altered, leading to optimized adsorption of intermediates and superior HER/HOR performance. Further structural optimization by density functional theory (DFT) calculations has revealed that the metallic Mo atom is embedded in the Ru lattice while MoO 3 is adsorbed on a partially oxidized Mo atom. In this work, a unique class of Mo-modified Ru nanosheet assemblies (Mo–Ru NSAs) have been successfully prepared, where Mo possesses a unique configuration of both a metallic Mo atom and MoO 3. According to the classical definition given in chemistry, 'Lattice energy is the total amount of energy required for breaking or converting one mole of aqueous ionic compounds into one mole of ions.' Thats how lattice energy is used as a quantity that can tell us about the strength of bonds in the ionic compounds. Developing high-performance bifunctional electrocatalysts towards the hydrogen evolution/oxidation reaction (HER/HOR) holds great significance for efficiently utilizing hydrogen energy.
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