Table 1 Radii (unit: pm) of intercalants and the calculated binding energies (Eb, unit: eV) when intercalant occupying different interstitial sites.

From: Water-mediated cation intercalation of open-framework indium hexacyanoferrate with high voltage and fast kinetics

Intercalant

Radius*

E b

  

8c

24d

32f(n)

32f(c)

48g

Li+

76

−2.01

−3.13†

−3.05

−2.81

−3.13

Na+

102

−2.73

−3.33

−3.18

−3.17

−3.33

K+

138

−3.8

−3.41

−3.86

−3.85

−3.85

[Li-OH2]+

226

  

−4.00‡

  

[Na-OH2]+

252

  

−3.94‡

  

H2O

150

  

−0.67‡

  
  1. *The ionic radius of A+ is adapted from Shannon’s report17. The radius of [A-OH2]+ is estimated by adding the radii of A+ and H2O. r (H2O) is supposed to be 150 pm.
  2. †The bold font is used to emphasize the most stable site for each cation.
  3. ‡See details about how to calculate Eb for [A-OH2]+ and H2O in Supplementary Methods.
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