ChemInform Abstract: Ion Intercalation into Two‐Dimensional Transition‐Metal Carbides: Global Screening for New High‐Capacity Battery Materials. Issue 14 (April 2015)

• Record Type: Journal Article
• Authors: Eames, Christopher; Islam, M. Saiful
• Is Part Of: ChemInform. Volume 46:Issue 14(2015)
• Page Start: no
• Page End: no
• Publication Date: 2015-04
• Subjects: potentials, cells, elements, electrodes (inorganic) -- theory of the condensed state -- transition metals -- carbon, C -- alkali metals; Chemistry -- Abstracts -- Periodicals; 540.5
• DOI: 10.1002/chin.201514012
• Languages: English
• ISSNs: 0931-7597

Abstract

Abstract: A screening of (Li +, Na +, K +, or Mg 2+ ) intercalated 2D M2 C compounds (M: Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, Ta) with F‐, H‐, O‐, and OH‐functionalized surfaces as potential battery electrodes is performed by DFT methods.