直径大于2nm的（15,15）碳纳米管的仿生生物改性及其脱盐

Click to edit Master title style,Click to edit Master text styles,Second level,Third level,Fourth level,Fifth level,*,*,直径大于2nm的(15, 15)碳纳米管的仿生生物改性及其脱盐行为的分子模拟,李清,杨登峰,王建花,武琪,刘清芝,离子在(15, 15)碳纳米管改性基团处的位置 Snapshots from MD simulations are shown to indicate the location and buildup of Na+ (without arrow) and Cl (with arrow) ions near the functional group of the (15, 15) functionalized CNTs. Results are shown for CNTs with (A) 3-m NH 3 + 3-m COO - , (B) 4-m NH 3 + 4-m COO - , (C) 5-m NH 3 + 5-m COO - , (D) 6-m NH 3 + 6-m COO - , (E) 4-m 1-e NH 3 + 4-m 1-e COO - , (F) 4-m 2-e NH 3 + 4-m 2-e COO -,物理化学学报,2016,32(3),691-700.DOI:10.3866/PKU.WHXB201512182,1,