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. 2025 Aug 26;15(37):30290–30301. doi: 10.1039/d5ra05434f

Table 1. Details of molecules of water (H2O) and hydronium ions (H3O+) in the simulation cell.

No. of Nafion® chain No. of hydronium ion No. of water molecules
λ = 3.5 λ = 7 λ = 10 λ = 13 λ = 16
2 20 50 120 180 240 300
4 40 100 240 360 480 600
6 60 150 360 540 720 900
8 80 200 480 720 960 1200
10 100 250 600 900 1200 1500
14 140 300 720 1080 1440 1800
16 160 350 840 1260 1680 2100