Title : Linking capacity loss and retention of nickel hexacyanoferrate to a two-site intercalation mechanism for aqueous Mg2+ and Ca2+ ions.

Pub. Date : 2019 Sep 18

PMID : 31486461






5 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Electrochemical characterization of porous NiHCFe electrodes suggests a two-site intercalation mechanism, while spectroscopy reveals the presence of Ni2+ and Fe(CN)63- ions in the electrolyte post cycling in Mg2+(aq). Nickel(2+) mucin 7, secreted Homo sapiens
2 We propose that Mg2+ can partially substitute Ni2+ ions in the lattice framework during galvanostatic cycling, displacing the substituted Ni2+ ions into interstitial sites. Nickel(2+) mucin 7, secreted Homo sapiens
3 We propose that Mg2+ can partially substitute Ni2+ ions in the lattice framework during galvanostatic cycling, displacing the substituted Ni2+ ions into interstitial sites. Nickel(2+) mucin 7, secreted Homo sapiens
4 Based on differential capacitance analysis we show that Mg2+ intercalates into interstitial sites at ~0.45 V vs. Ag/AgCl and it displaces Ni2+ in the lattice framework at ~0.05 V vs. Ag/AgCl. Nickel(2+) mucin 7, secreted Homo sapiens
5 Using first principles density functional theory (DFT) calculations combined with a statistical mechanics model, we verify the thermodynamic feasibility of the proposed reaction mechanism and predict the fraction of Ni2+ ions being substituted by Mg2+ during intercalation. Nickel(2+) mucin 7, secreted Homo sapiens