Prediction and characterization of mxene nanosheet anodes for non-lithium-ion batteries

Yu Xie, Yohan Dall'Agnese, Michael Naguib, Yury Gogotsi, Michel W. Barsoum, Houlong L. Zhuang, Paul R.C. Kent

Research output: Contribution to journalArticlepeer-review

789 Scopus citations


Rechargeable non-lithium-ion (Na+, K+, Mg2+, Ca2+, and Al3+) batteries have attracted great attention as emerging low-cost and high energy-density technologies for large-scale renewable energy storage applications. However, the development of these batteries is hindered by the limited choice of high-performance electrode materials. In this work, MXene nanosheets, a class of two-dimensional transition-metal carbides, are predicted to serve as high-performing anodes for non-lithium-ion batteries by combined first-principles simulations and experimental measurements. Both O-terminated and bare MXenes are shown to be promising anode materials with high capacities and good rate capabilities, while bare MXenes show better performance. Our experiments clearly demonstrate the feasibility of Na- and K-ion intercalation into terminated MXenes. Moreover, stable multilayer adsorption is predicted for Mg and Al, which significantly increases their theoretical capacities. We also show that O-terminated MXenes can decompose into bare MXenes and metal oxides when in contact with Mg, Ca, or Al. Our results provide insight into metal ion storage mechanisms on two-dimensional materials and suggest a route to preparing bare MXene nanosheets.

Original languageEnglish (US)
Pages (from-to)9606-9615
Number of pages10
JournalACS nano
Issue number9
StatePublished - Sep 23 2014
Externally publishedYes


  • MXenes
  • conversion reaction
  • energy storage
  • metal ion batteries
  • multilayer adsorption
  • two-dimensional

ASJC Scopus subject areas

  • General Materials Science
  • General Engineering
  • General Physics and Astronomy


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