2019
DOI: 10.1039/c8ta11955d
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Jahn–Teller type small polaron assisted Na diffusion in NaMnO2as a cathode material for Na-ion batteries

Abstract: In NaMnO2, Na ion diffusion is assisted by the Jahn–Teller type small polaron under both charged and discharged states.

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Cited by 31 publications
(17 citation statements)
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“…First-principles calculations are proved to be a reliable tool to study the metal-ion adsorption, electrochemical potential, electronic conductivity and ionic diffusion in electrode materials for NLMIBs. [34][35][36] In this paper, we systematically investigated Na-, K-, Mg-, Ca-and Al-ion storage behaviors in g-Mg 3 N 2 with rst-principles calculations. We begin our work from single metal-ion adsorption on g-Mg 3 N 2 in three particular sites, followed by a performance evaluation of g-Mg 3 N 2 as an anode material for NLMIBs.…”
Section: Introductionmentioning
confidence: 99%
“…First-principles calculations are proved to be a reliable tool to study the metal-ion adsorption, electrochemical potential, electronic conductivity and ionic diffusion in electrode materials for NLMIBs. [34][35][36] In this paper, we systematically investigated Na-, K-, Mg-, Ca-and Al-ion storage behaviors in g-Mg 3 N 2 with rst-principles calculations. We begin our work from single metal-ion adsorption on g-Mg 3 N 2 in three particular sites, followed by a performance evaluation of g-Mg 3 N 2 as an anode material for NLMIBs.…”
Section: Introductionmentioning
confidence: 99%
“…; M=Fe, Mn, Ni, Co, etc.) Because these layered metal oxides possess many advantages, including excellent energy‐storage properties, high theoretical capacity, steady structural stability, and low cost, they are extensively applied in LIBs and SIBs [134–139] . Recently, layered metal oxides have proven to be suitable materials for cathode of PIBs.…”
Section: Cathode Materialsmentioning
confidence: 99%
“…Such poor stability is due to the phase transition from P2 to O2 and the sliding of TMO 2 layer after Na extraction [18][19][20][21]. In addition, the two sequences in P2-NaNM, including Na + /vacancy sequence in Na layer and TM1/TM2 cation sequence in TM lattice, lead to the de ciency of Na diffusion and rate ability [22]. In order to solve the undesirable phase transition problem, the introduction of inert metals (Al, Mg, Cu, Zn, etc.)…”
Section: Introductionmentioning
confidence: 99%