Figure 10
Detailed analysis of (top row) cation hydration shell, (middle row) water sharing in cation-hydration, and (bottom row) cation-hydration by surface atoms for (a–c) Na\(^+\), (d–f) Li\(^+\), and (g–i) H\(^+\) ions in respective M-mica system. (Top row) Variation of normalized hydration number due to water (\(\hbox {f}_{ \hbox {W}}\)—black circle), oxygen of surface (\(\hbox {f}_{ \hbox {OS}}\)— red square), and total (\(\hbox {f}_{ \hbox {W+OS}}\)— blue diamond) with respect to d. (Middle row) Percentage of water molecules hydrating only one cation (i.e., no sharing, \(\hbox {f}^{ \hbox {1W}}\)—black circle), two cations of same side (i.e., lateral sharing, \(\hbox {f}^{ \hbox {2W}}_{ \hbox {S}}\)—red square), and two cations of opposite side (bridge formation, \(\hbox {f}^{ \hbox {2W}}_{ \hbox {O}}\)— blue diamond). (Bottom row) Percentage of cations hydrating only one surface oxygen (\(\chi ^1\)— black circle), simultaneously two surface oxygens (\(\chi ^2\)— red square), and three (or more) surface oxygens (\(\chi ^{\ge 3}\)— blue diamond). Percentage of cations not hydrating surface oxygens and are forming OSCs or DCs is \(\chi ^0 = 100 - \sum _{i>0} \chi ^i\).
