Sidewall oxidation and complexation of carbon nanotubes by base-catalyzed cycloaddition of transition metal oxide: A theoretical prediction

被引：42

作者：

Lu, X ^{[1
]}

Tian, F ^{[1
]}

Feng, YB ^{[1
]}

Xu, X ^{[1
]}

Wang, NQ ^{[1
]}

Zhang, QN ^{[1
]}

机构：

[1] Xiamen Univ, Inst Phys Chem, State Key Lab Phys Chem Solid Surfaces, Dept Chem, Xiamen 361005, Peoples R China

来源：

NANO LETTERS | 2002年 / 2卷 / 11期

关键词：

D O I：

10.1021/nl0257925

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

By means of a two-layered ONIOM (B3LYP/LANL2DZ:UFF) approach, we predicted the viable oxidation of the sidewalls of single-wall carbon nanotubes by transition metal oxide (OsO4), which gives rise to osmate ester adducts on the nanotube sidewall. We believe that the as-formed osmate ester adducts can be a good starting point for further functionalization, hence, introducing high flexibility to carbon nanotubes for further manipulations for various potential applications.

引用

页码：1325 / 1327

页数：3

共 46 条

[1] Functionalization of carbon nanotubes by electrochemical reduction of aryl diazonium salts: A bucky paper electrode
Bahr, JL
Yang, JP
Kosynkin, DV
Bronikowski, MJ
Smalley, RE
Tour, JM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (27) : 6536 - 6542
[2] Covalent chemistry of single-wall carbon nanotubes
Bahr, JL
Tour, JM
[J]. JOURNAL OF MATERIALS CHEMISTRY, 2002, 12 (07) : 1952 - 1958
[3] Interaction of oxidized single-walled carbon nanotubes with vaporous aliphatic amines
Basiuk, EV
Basiuk, VA
Bañuelos, JG
Saniger-Blesa, JM
Pokrovskiy, VA
Gromovoy, TY
Mischanchuk, AV
Mischanchuk, BG
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (07) : 1588 - 1597
[4] Activity of carboxylic groups on armchair and zigzag carbon nanotube tips: A theoretical study of esterification with methanol
Basiuk, VA
[J]. NANO LETTERS, 2002, 2 (08) : 835 - 839
[5] Basiuk VA, 2001, NANO LETT, V1, P657, DOI 10.1021/n1015609s
[6] Bauschlicher CW, 2001, NANO LETT, V1, P223, DOI [10.1021/nl010018n, 10.1021/n1010018n]
[7] Hydrogen and fluorine binding to the sidewalls of a (10,0) carbon nanotube
Bauschlicher, CW
[J]. CHEMICAL PHYSICS LETTERS, 2000, 322 (3-4) : 237 - 241
[8] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE
BECKE, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) : 5648 - 5652
[9] Reversible sidewall functionalization of buckytubes
Boul, PJ
Liu, J
Mickelson, ET
Huffman, CB
Ericson, LM
Chiang, IW
Smith, KA
Colbert, DT
Hauge, RH
Margrave, JL
Smalley, RE
[J]. CHEMICAL PHYSICS LETTERS, 1999, 310 (3-4) : 367 - 372
[10] Cai Y, 2000, CHINESE CHEM LETT, V11, P373

← 1 2 3 4 5 →