Nanoscale · 2022 · 22 citations · 52 references
Natural SciencesMaterials EngineeringMaterials ScienceMaterials ChemistrySurface ChemistrySurface ScienceAnode MaterialsBattery Cell ChemistryBattery MaterialsElectrode MaterialsMetal OxidesSurface ReactivityAdsorption Layer StructureAlkaline BatteriesAnode Active MaterialsElectrochemical FunctionalizationElectrochemical Surface ReactionsHigh-capacity Anode MaterialsRechargeable BatteriesSurface Functionalization Reactions
Using the r 2 SCAN-rVV10 functional, the structural and electrochemical properties of boridenes for their use as anode materials in rechargeable metal-ion batteries (Li + , Na + , K + , Mg 2+ and Ca 2+ ) are evaluated.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17