Capacitive versus Pseudocapacitive Storage in MXene

Yasunobu Ando, Masashi Okubo, Atsuo Yamada, Minoru Otani

研究成果: Article査読

15 被引用数 (Scopus)

抄録

MXene electrodes in electrochemical capacitors have a distinctive behavior that is both capacitive and pseudocapacitive depending on the electrolyte. In this work, to better understand their electrochemical mechanism, first-principles calculations based on the density functional theory combined with the implicit solvation model are used (termed as 3D reference-interaction-site model). From the viewpoint of their electronic states, the hydration shell prevents orbital coupling between MXene and the intercalated ions, which leads to the formation of an electric-double layer and capacitive behavior. However, once the cations are partially dehydrated and adsorbed onto the MXene surface, because of orbital coupling of the cation states with the MXene states, particularly for surface-termination groups, charge transfer occurs and results in a pseudocapacitive behavior.

本文言語English
論文番号2000820
ジャーナルAdvanced Functional Materials
30
47
DOI
出版ステータスPublished - 2020 11 18
外部発表はい

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

フィンガープリント 「Capacitive versus Pseudocapacitive Storage in MXene」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル