Sensitivity of ammonia interaction with single-walled carbon nanotube bundles to the presence of defect sites and functionalities

被引:169
作者
Feng, X
Irle, S
Witek, H
Morokuma, K
Vidic, R
Borguet, E [1 ]
机构
[1] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA
[2] Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15260 USA
[3] Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA
[4] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
关键词
D O I
10.1021/ja042998u
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ammonia adsorption on single-walled carbon nanotubes (SWNTs) was studied by means of infrared spectroscopy at both cryogenic (similar to 94 K) and room (similar to 300 K) temperatures. At 94 K, vacuum-annealed SWNTs showed no detectable ammonia uptake. However, the ammonia adsorption was found to be sensitive to the functionalities and defects on the nanotube surfaces. NH3 adsorption was detected on HNO3-treated nanotubes, characterized by significant functionalities and defects, prior to vacuum annealing. NH3 desorbed from those nanotubes above 140 K, indicating a weak adsorbate-nanotube interaction (similar to 30 kJ/mol). Exposure of annealed samples to ambient air, which possibly regenerated functionalities and defects on nanotube surfaces, restored partially the ammonia uptake capacity. No ammonia adsorption on SWNTs was observed by infrared spectroscopy at room temperature with up to 80 Torr dosing pressure. This work suggests the influence of functionalities and/or defect densities on the sensitivity of SWNT chemical gas sensors. Our theoretical studies on NH3 adsorption on pristine and defective tubes, as well as oxidized tubes, corroborate these findings.
引用
收藏
页码:10533 / 10538
页数:6
相关论文
共 38 条
[1]   Binding of NH3 to graphite and to a (9,0) carbon nanotube -: art. no. 115409 [J].
Bauschlicher, CW ;
Ricca, A .
PHYSICAL REVIEW B, 2004, 70 (11) :115409-1
[2]   RAMAN SPECTRA OF MOLECULAR-CRYSTALS - AMMONIA AND 3-DEUTERO-AMMONIA [J].
BINBREK, OS ;
ANDERSON, A .
CHEMICAL PHYSICS LETTERS, 1972, 15 (03) :421-+
[3]   Reversible sidewall functionalization of buckytubes [J].
Boul, PJ ;
Liu, J ;
Mickelson, ET ;
Huffman, CB ;
Ericson, LM ;
Chiang, IW ;
Smith, KA ;
Colbert, DT ;
Hauge, RH ;
Margrave, JL ;
Smalley, RE .
CHEMICAL PHYSICS LETTERS, 1999, 310 (3-4) :367-372
[4]   Charge transfer from ammonia physisorbed on nanotubes -: art. no. 218301 [J].
Bradley, K ;
Gabriel, JCP ;
Briman, M ;
Star, A ;
Grüner, G .
PHYSICAL REVIEW LETTERS, 2003, 91 (21) :1-218301
[5]   Adsorption of NH3 and NO2 molecules on carbon nanotubes [J].
Chang, H ;
Lee, JD ;
Lee, SM ;
Lee, YH .
APPLIED PHYSICS LETTERS, 2001, 79 (23) :3863-3865
[6]   Purification and characterization of single-wall carbon nanotubes (SWNTs) obtained from the gas-phase decomposition of CO (HiPco process) [J].
Chiang, IW ;
Brinson, BE ;
Huang, AY ;
Willis, PA ;
Bronikowski, MJ ;
Margrave, JL ;
Smalley, RE ;
Hauge, RH .
JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (35) :8297-8301
[7]   Extreme oxygen sensitivity of electronic properties of carbon nanotubes [J].
Collins, PG ;
Bradley, K ;
Ishigami, M ;
Zettl, A .
SCIENCE, 2000, 287 (5459) :1801-1804
[8]   Adsorption of NH3 and NO2 on single-walled carbon nanotubes [J].
Ellison, MD ;
Crotty, MJ ;
Koh, D ;
Spray, RL ;
Tate, KE .
JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (23) :7938-7943
[9]   Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties [J].
Elstner, M ;
Porezag, D ;
Jungnickel, G ;
Elsner, J ;
Haugk, M ;
Frauenheim, T ;
Suhai, S ;
Seifert, G .
PHYSICAL REVIEW B, 1998, 58 (11) :7260-7268
[10]   Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment [J].
Elstner, M ;
Hobza, P ;
Frauenheim, T ;
Suhai, S ;
Kaxiras, E .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (12) :5149-5155