4.8 Article

Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials

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High storage capacity and small volume change of potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

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Summary: The new two-dimensional V(2)Ch(2)O (Ch = S, Se, and Te) monolayer electrode materials show excellent thermal, dynamical, and mechanical stabilities. The exothermic adsorption energies prevent dendrite formation, while electrode potentials decrease diffusion barriers of potassium atoms and maintain metallic characteristics during K-intercalation. The V(2)Ch(2)O monolayers are promising for PIBs with high capacities and long cycle lives.

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