He, ZhongjinZhou, JianLu, XiaohuaCorry, Ben2015-12-131932-7447http://hdl.handle.net/1885/72842It is well recognized that ice-like water can be formed in carbon nanotubes (CNTs). Here, we perform molecular dynamics simulations of the hydration of Na+, K+ and Cl- in armchair CNT(n,n) (n = 6, 7, 8, 9 and 10) at 300 K to elucidate the effect of such wKeywords: Cationic hydration; Coordination number; Dipole orientation; First hydration shell; Hydration shell; Ionic hydration; Molecular dynamics simulations; Water interactions; Carbon nanotubes; Hydration; Hydrogen bonds; Molecular dynamics; Molecules; Ice201310.1021/jp40252062016-02-24