Thursday, May 6, 2010

ISI Web of Knowledge Alert - Hummer, G

ISI Web of Knowledge Citation Alert

Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
Alert Expires: 09 NOV 2010
Number of Citing Articles: 6 new records this week (6 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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*Record 1 of 6.
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Title:
Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins

Authors:
Das, P; Zhou, RH

Author Full Names:
Das, Payel; Zhou, Ruhong

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (16): 5427-5430 APR 29 2010

Language:
English

Document Type:
Article

KeyWords Plus:
DISPERSION INTERACTIONS; HYDROPHOBIC COLLAPSE; WATER; GUANIDINIUM; TRANSPORT; MECHANISM; CHANNEL; MODEL

Abstract:
Atomistic dynamics simulations of purely hydrophobic carbon nanotubes in 8 M urea are performed to dissect the role of dispersion interactions in the denaturing power of urea. The enhanced population of urea and a paucity of water in proximity of nanotubes suggest that the stronger dispersion interaction of urea than water with nanotube triggers drying of its interior. The preferential intrusion of urea over water within nanotube interiors irrespective of their diameters directly implies a "dry globule"-like transient intermediate formation in the initial stage of protein unfolding in urea.

Reprint Address:
Zhou, RH, IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, 1101 Kitchawan Rd, Yorktown Hts, NY 10598 USA.

Research Institution addresses:
[Das, Payel; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA

E-mail Address:
ruhongz@us.ibm.com

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Cited Reference Count:
27

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Physical

ISSN:
1520-6106

DOI:
10.1021/jp911444q

IDS Number:
586FO

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Title:
Temperature-Induced Water Release and Uptake in Organic Porous Networks

Authors:
Perez-Hernandez, N; Falcao, EHL; Perez, C; Fort, D; Martin, JD; Eckert, J

Author Full Names:
Perez-Hernandez, Natalia; Falcao, Eduardo H. L.; Perez, Cirilo; Fort, Diego; Martin, Julio D.; Eckert, Juergen

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (17): 5694-5699 MAY 6 2010

Language:
English

Document Type:
Article

KeyWords Plus:
BORON-NITRIDE NANOTUBE; CARBON NANOTUBES; DYNAMICS; LIQUID; PERMEATION; MOLECULES; CLUSTERS; CHANNELS; HEXAMER; PROTEIN

Abstract:
The behavior of water confined near nonpolar surfaces has important implications for a number of biological phenomena. In this type of confined environment the properties of "hydrophobicity" and "hydrophilicity" are closely related to the structure of the interfacial water, which in turn can depend on temperature in a very subtle way. Although the physical-chemical consequences of this fact have been theoretically addressed to a great extent, the underlying thermodynamic question is still widely discussed. Accordingly we performed thermogravimetric analysis and variable-temperature powder X-ray diffraction studies on representative hydrogen bonding organic pores occupied by water. The results indicate that a hydrophilic-to-hydrophobic transition of the inner surface of the pores occurs upon increasing temperature, which may be attributed to a strong influence of the dynamics and thermodynamics of local water molecules on the surface affinity of the pores. The relevance of ou!
r findings to the understanding of the phenomenon of water transport in natural pores is discussed.

Reprint Address:
Perez-Hernandez, N, Inst Invest Quim, Avda Amer Vespucio 49, Seville 41092, Spain.

Research Institution addresses:
[Perez-Hernandez, Natalia; Fort, Diego; Martin, Julio D.] Inst Invest Quim, Seville 41092, Spain; [Falcao, Eduardo H. L.; Eckert, Juergen] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA; [Perez, Cirilo] Univ La Laguna, Inst Bioorgan, CSIC, E-38206 Tenerife, Spain

E-mail Address:
natalia.perez@iiq.csic.es; juergen.eckert@mrl.ucsb.edu

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Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Physical

ISSN:
1520-6106

DOI:
10.1021/jp911930k

IDS Number:
588FR

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Title:
Molecular Dynamics Simulation of Salt Rejection in Model Surface-Modified Nanopores

Authors:
Goldsmith, J; Martens, CC

Author Full Names:
Goldsmith, Jacob; Martens, Craig C.

Source:
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 (2): 528-535 JAN 21 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBE MEMBRANES; WATER PERMEATION; BROWNIAN MOTORS; TRANSPORT; CHANNEL; FUNCTIONALIZATION; NANOFILTRATION; AQUAPORIN-1; ENERGETICS; MECHANISM

Abstract:
This Letter describes molecular dynamics simulations of pressure induced flow of water and aqueous salt solutions through model nanopores. The systems studied are comprised of (n,n) carbon nanotubes (CNT) that span a membrane constructed of parallel graphene walls separating two solutions reserviors. We emply this system as an idealized model of surface modified nanoporous membranes and thus, both native hydrophobic CNT and nanotubes with artificial surface partial charge patterns are considered. The dependence of the fluxes of water and ions on the nanopore size, nanopore charge patterns, and pressure difference are explored using nonequilibrium molecular dynamics simulation. We demonstrate size-and structure-dependent salt rejection and show evidence of salt flux rectification for our asymmetric nanopore model.

Reprint Address:
Martens, CC, Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.

Research Institution addresses:
[Goldsmith, Jacob; Martens, Craig C.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

E-mail Address:
cmartens@uci.edu

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43

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

ISSN:
1948-7185

DOI:
10.1021/jz900173w

IDS Number:
588BC

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Title:
Flow-induced instability and bifurcation of carbon nanotubes

Authors:
He, XQ; Yan, Y; Zhang, LX

Author Full Names:
He, X. Q.; Yan, Y.; Zhang, L. X.

Source:
FMA '09: PROCEEDINGS OF THE 7TH IASME / WSEAS INTERNATIONAL CONFERENCE ON FLUID MECHANICS AND AERODYNAMICS : 21-27 2009

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
Carbon nanotubes; Instability; Critical flow velocities; Elastic beam model; Pitchfork bifurcation; Hopf bifurcation

KeyWords Plus:
FLUID-FLOW; NETWORKS; STRENGTH

Abstract:
Carbon nanotubes (CNTs) show great potential for use in nanofluidic devices. Based on an elastic beam model, this paper studies the flow-induced structural instability and bifurcations of CNTs conveying fluids. Explicit formulas have been obtained for the solution of dynamic description of CNTs in which fluids flow. Based on the obtained solutions, the critical flow velocities for Pitchfork bifurcation and Hopf bifurcation have been determined by using the elastic beam model. The results indicate that the critical flow velocities for the structural instability are inversely proportional to the aspect ratio (L/R-out) of the CNT. The effect of the size of CNTs and the surrounding elastic matrix on the instability and divergence of CNT-fluid system has been discussed in detail.

Reprint Address:
He, XQ, City Univ Hong Kong, Dept Bldg & Construct, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.

Research Institution addresses:
[He, X. Q.] City Univ Hong Kong, Dept Bldg & Construct, Kowloon, Hong Kong, Peoples R China

E-mail Address:
bcxqhe@cityu.edu.hk

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Times Cited:
0

Publisher:
WORLD SCIENTIFIC AND ENGINEERING ACAD AND SOC; AG LOANNOU THEOLOGOU 17-23, 15773 ZOGRAPHOU, ATHENS, GREECE

IDS Number:
BOI16

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Title:
Nanoporous Carbon Supercapacitors in an Ionic Liquid: A Computer Simulation Study

Authors:
Shim, Y; Kim, HJ

Author Full Names:
Shim, Youngseon; Kim, Hyung J.

Source:
ACS NANO 4 (4): 2345-2355 APR 2010

Language:
English

Document Type:
Article

Author Keywords:
supercapacitor; electric double layer; ionic liquid; imidazolium ion; carbon nanotube; micropore; molecular dynamics simulations; specific capacitance

KeyWords Plus:
ELECTRICAL DOUBLE-LAYER; MOLECULAR-DYNAMICS SIMULATION; TEMPERATURE MOLTEN-SALTS; ELECTROCHEMICAL CAPACITORS; DIFFERENTIAL CAPACITANCE; SOLVATION DYNAMICS; ELECTROLYTES; CONDUCTIVITY; RELAXATION; INTERFACES

Abstract:
Supercapacitors composed of carbon nanotube (CNT) micropores in the room-temperature ionic liquid (RTIL) 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4-) are studied via molecular dynamics (MD) computer simulations. It is found that the distribution of RTIL ions inside the micropore varies significantly with the pore size. Internal solvation of small (6,6) and (7,7) CNTs with an electrified interior wall is effected almost exclusively via counterions. Surprisingly, these counterions, even though they all have the same charge, lead to a charge density characterized by multiple layers with alternating signs. This intriguing feature is attributed to the extended nature of RTIL ion charge distributions, which result in charge separation through preferential orientation inside the electrified nanotubes. In the case of larger (10,10) and (15,15) CNTs, counterions and co-ions develop multilayer solvation structures. The specific capacitance normalized to the pore surface ar!
ea is found to increase as the CNT diameter decreases from (15,15) to (7,7). As the pore site further reduces from (6,6)10 (5,5), however, the specific capacitance diminishes rapidly. These findings are in excellent agreement with recent experiments with carbon-based materials. A theoretical model based on multiple charge layers is proposed to understand both the MD and experimental results.

Reprint Address:
Kim, HJ, Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA.

Research Institution addresses:
[Shim, Youngseon; Kim, Hyung J.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA; [Shim, Youngseon] Seoul Natl Univ, Dept Chem, Seoul 151747, South Korea; [Kim, Hyung J.] Korea Inst Adv Study, Sch Computat Sci, Seoul 130722, South Korea

E-mail Address:
hjkim@cmu.edu

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51

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary

ISSN:
1936-0851

DOI:
10.1021/nn901916m

IDS Number:
586ZX

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Title:
Hydrophobic Peptide Channels and Encapsulated Water Wires

Authors:
Raghavender, US; Kantharaju; Aravinda, S; Shamala, N; Balaram, P

Author Full Names:
Raghavender, Upadhyayula S.; Kantharaju; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Balaram, Padmanabhan

Source:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132 (3): 1075-1086 JAN 27 2010

Language:
English

Document Type:
Article

KeyWords Plus:
ASSEMBLING ORGANIC NANOTUBES; TRANSMEMBRANE ION CHANNELS; M2 PROTON CHANNEL; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURES; RHODOBACTER-SPHAEROIDES; BIOMOLECULAR SYSTEMS; CARBONIC-ANHYDRASE; NAK CHANNEL; CHAIN

Abstract:
Peptide nanotubes with filled and empty pores and close-packed structures are formed in closely related pentapeptides. Enantiomorphic sequences, Boc-(D)Pro-Aib-Xxx-Aib-Val-OMe (Xxx = Leu, 1; Val, 2; Ala, 3; Phe, 4) and Boc-Pro-Aib-(D)Xxx-Aib-(D)Val-OMe ((XXX)-X-D = (D)Leu, 5; (D)Val, 6; (D)Ala, 7; (D)Phe, 8), yield molecular structures with a very similar backbone conformation but varied packing patterns in crystals. Peptides 1, 2, 5, and 6 show tubular structures with the molecules self-assembling along the crystallographic six-fold axis (c-axis) and revealing a honeycomb arrangement laterally (ab plane). Two forms of entrapped water wires have been characterized in 2: 2a with d(O center dot center dot center dot O) = 2.6 angstrom and 2b with d(O center dot center dot center dot O) = 3.5 angstrom. The latter is observed in 6 (6a) also. A polymorphic form of 6 (6b), grown from a solution of methanol-water, was observed to crystallize in a monoclinic system as a close-packed !
structure. Single-file water wire arrangements encapsulated inside hydrophobic channels formed by peptide nanotubes could be established by modeling the published structures in the cases of a cyclic peptide and a dipeptide. In all the entrapped water wires, each water molecule is involved in a hydrogen bond with a previous and succeeding water molecule. The O-H group of the water not involved in any hydrogen bond does not seem to be involved in an energetically significant interaction with the nanotube interior, a general feature of the one-dimensional water wires encapsulated in hydrophobic environements. Water wires in hydrophobic channels are contrasted with the single-file arrangements in amphipathic channels formed by aquaporins.

Reprint Address:
Shamala, N, Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India.

Research Institution addresses:
[Raghavender, Upadhyayula S.; Aravinda, Subrayashastry; Shamala, Narayanaswamy] Indian Inst Sci, Dept Phys, Bangalore 560012, Karnataka, India; [Kantharaju; Balaram, Padmanabhan] Indian Inst Sci, Mol Biophys Unit, Bangalore 560012, Karnataka, India

E-mail Address:
shamala@physics.iisc.ernet.in; pb@mbu.iisc.ernet.in

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Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Multidisciplinary

ISSN:
0002-7863

DOI:
10.1021/ja9083978

IDS Number:
562VZ

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Cited Article: Ghosh, S. Carbon nanotube flow sensors
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Title:
Conductive bio-Polymer nano-Composites (CPC): Chitosan-carbon nanotube transducers assembled via spray layer-by-layer for volatile organic compound sensing

Authors:
Kumar, B; Feller, JF; Castro, M; Lu, JB

Author Full Names:
Kumar, Bijandra; Feller, Jean-Francois; Castro, Mickael; Lu, Jianbo

Source:
TALANTA 81 (3): 908-915 MAY 15 2010

Language:
English

Document Type:
Article

Author Keywords:
Conductive bio-Polymer nano-Composites (CPC); Chitosan; Carbon nanotube (CNT); Solvent vapour sensing; AFM; E-nose

KeyWords Plus:
ELECTRONIC NOSE; VAPOR SENSORS; BLACK; ARRAY; GAS; NANOCOMPOSITES; NANOPARTICLE; DEPOSITION; BIOSENSOR; BEHAVIOR

Abstract:
The chemo-electrical properties of chitosan-carbon nanotubes (Chit-CNT) Conductive bio-Polymer nano-Composites (CPC) transducers processed by spray layer-by-layer (LbL) technique have been investigated. Results show that unlike most synthetic polymer matrices, chitosan provides the transducer with high sensitivity towards not only polar vapours like water and methanol but also to a lesser extent toluene. Quantitative responses are obtained, well fitted with the Langmuir-Henry-Clustering (LHC) model allowing to link electrical signal to vapour content. Chit-CNT transducers selectivity was also correlated with an exponential law to the inverse of Flory-Huggins interaction parameter chi(12). These properties make Chit-CNT a good transducer to be implemented in an e-nose. Additionally, the observation by atomic force microscopy (AFM) of Chit-CNT morphology suggests a chemical nano-switching mechanism promoting tunnelling conduction and originating macroscopic vapour sensing. (C)!
2010 Elsevier B.V. All rights reserved.

Reprint Address:
Feller, JF, European Univ Brittany UEB, Smart Plast Grp, LIMAT UBS, Lorient, France.

Research Institution addresses:
[Kumar, Bijandra; Feller, Jean-Francois; Castro, Mickael; Lu, Jianbo] European Univ Brittany UEB, Smart Plast Grp, LIMAT UBS, Lorient, France

E-mail Address:
jean-francois.feller@univ-ubs.fr

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Cited Reference Count:
73

Times Cited:
0

Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS

Subject Category:
Chemistry, Analytical

ISSN:
0039-9140

DOI:
10.1016/j.talanta.2010.01.036

IDS Number:
586CA

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Title:
Chemically driven carbon-nanotube-guided thermopower waves

Authors:
Choi, W; Hong, S; Abrahamson, JT; Han, JH; Song, C; Nair, N; Baik, S; Strano, MS

Author Full Names:
Choi, Wonjoon; Hong, Seunghyun; Abrahamson, Joel T.; Han, Jae-Hee; Song, Changsik; Nair, Nitish; Baik, Seunghyun; Strano, Michael S.

Source:
NATURE MATERIALS 9 (5): 423-429 MAY 2010

Language:
English

Document Type:
Article

KeyWords Plus:
X-RAY-DIFFRACTION; RDX FLAME STRUCTURE; COMBUSTION; MICROTHRUSTER; MECHANISM; MONOPROPELLANT; PRESSURE; IGNITION; FLOW

Abstract:
Theoretical calculations predict that by coupling an exothermic chemical reaction with a nanotube or nanowire possessing a high axial thermal conductivity, a self-propagating reactive wave can be driven along its length. Herein, such waves are realized using a 7-nm cyclotrimethylene trinitramine annular shell around a multiwalled carbon nanotube and are amplified by more than 10(4) times the bulk value, propagating faster than 2 m s(-1), with an effective thermal conductivity of 1.28 +/- 0.2 kW m(-1) K-1 at 2,860 K. This wave produces a concomitant electrical pulse of disproportionately high specific power, as large as 7 kW kg(-1), which we identify as a thermopower wave. Thermally excited carriers flow in the direction of the propagating reaction with a specific power that scales inversely with system size. The reaction also evolves an anisotropic pressure wave of high total impulse per mass (300 N s kg(-1)). Such waves of high power density may find uses as unique energy s!
ources.

Reprint Address:
Choi, W, MIT, Dept Chem Engn, Cambridge, MA 02139 USA.

Research Institution addresses:
[Choi, Wonjoon; Abrahamson, Joel T.; Han, Jae-Hee; Song, Changsik; Nair, Nitish; Strano, Michael S.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA; [Choi, Wonjoon] MIT, Dept Mech Engn, Cambridge, MA 02139 USA; [Hong, Seunghyun; Baik, Seunghyun] Sungkyunkwan Univ, SKKU Adv Inst Nanotechnol, Dept Energy Sci, Gyeonggi 440746, South Korea; [Hong, Seunghyun; Baik, Seunghyun] Sungkyunkwan Univ, Sch Mech Engn, Gyeonggi 440746, South Korea

E-mail Address:
strano@mit.edu

Cited References:
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VOLKOV EN, 2008, COMBUST EXPLO SHOCK+, V44, P43, DOI 10.1007/s10573-008-0007-z.
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Cited Reference Count:
39

Times Cited:
1

Publisher:
NATURE PUBLISHING GROUP; MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND

Subject Category:
Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter

ISSN:
1476-1122

DOI:
10.1038/nmat2714

IDS Number:
586YZ

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Title:
Single-walled carbon nanotube network/poly composite thin film for flow sensor

Authors:
Cao, H; Gan, ZY; Lv, Q; Yan, H; Luo, XB; Song, XH; Liu, S

Author Full Names:
Cao, Hui; Gan, Zhiyin; Lv, Qiang; Yan, Han; Luo, Xiaobin; Song, Xiaohui; Liu, Sheng

Source:
MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS 16 (6): 955-959 JUN 2010

Language:
English

Document Type:
Article

KeyWords Plus:
FABRICATION

Abstract:
A fabrication method about single-walled carbon nanotube (SWCNT) network and polydimethylsiloxane (PDMS) based composite thin film is reported, which can be used as flow sensor cell. This composite thin film is immersed in deionized water and salt solution with different flow rate tests. The morphology of SWCNTs on the surface of the composite thin film is characterized by scanning electron microscopy, revealing the SWCNTs are coated by PDMS chains. The induced voltage generates along the direction of the flowing liquid and depends significantly on the ionic concentration and flow velocity. Since the SWCNTs are fixed into PDMS matrix, the I-V curves of the composite thin film before and after several flow velocity measurements are exactly coincident, and the repeating flow-induced voltage experiment shows the composite thin film has a reliable electric characteristic and wide potential of device application.

Reprint Address:
Liu, S, Wuhan Natl Lab Optoelect, Inst Microsyst, 1037 Luoyu Rd, Wuhan 430074, Peoples R China.

Research Institution addresses:
[Cao, Hui; Gan, Zhiyin; Lv, Qiang; Yan, Han; Luo, Xiaobin; Liu, Sheng] Wuhan Natl Lab Optoelect, Inst Microsyst, Wuhan 430074, Peoples R China; [Cao, Hui; Gan, Zhiyin; Lv, Qiang; Liu, Sheng] Huazhong Univ Sci & Technol, Sch Mech Sci & Engn, Wuhan 430074, Peoples R China; [Yan, Han] Huazhong Univ Sci & Technol, Dept Elect Sci & Technol, Wuhan 430074, Peoples R China; [Luo, Xiaobin] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, Wuhan 430074, Peoples R China; [Song, Xiaohui] Shanghai Jiao Tong Univ, Res Inst Micronano Sci & Technol, Shanghai 200030, Peoples R China

E-mail Address:
victor_liu63@126.com

Cited References:
AHLSKOG M, 2000, APPL PHYS LETT, V77, P4037.
CID CC, 2009, SENSOR ACTUAT B-CHEM, V141, P97, DOI 10.1016/j.snb.2009.05.021.
DRESSELHAUS MS, 1998, NATURE, V391, P19.
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Cited Reference Count:
22

Times Cited:
0

Publisher:
SPRINGER; 233 SPRING ST, NEW YORK, NY 10013 USA

Subject Category:
Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied

ISSN:
0946-7076

DOI:
10.1007/s00542-010-1055-3

IDS Number:
587FN

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ISI Web of Knowledge Alert - Majumder M

ISI Web of Knowledge Citation Alert

Cited Article: Majumder M. Nanoscale hydrodynamics - Enhanced flow in carbon nanotubes
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry Globule-like Transient State During Chemical Denaturation of Proteins

Authors:
Das, P; Zhou, RH

Author Full Names:
Das, Payel; Zhou, Ruhong

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (16): 5427-5430 APR 29 2010

Language:
English

Document Type:
Article

KeyWords Plus:
DISPERSION INTERACTIONS; HYDROPHOBIC COLLAPSE; WATER; GUANIDINIUM; TRANSPORT; MECHANISM; CHANNEL; MODEL

Abstract:
Atomistic dynamics simulations of purely hydrophobic carbon nanotubes in 8 M urea are performed to dissect the role of dispersion interactions in the denaturing power of urea. The enhanced population of urea and a paucity of water in proximity of nanotubes suggest that the stronger dispersion interaction of urea than water with nanotube triggers drying of its interior. The preferential intrusion of urea over water within nanotube interiors irrespective of their diameters directly implies a "dry globule"-like transient intermediate formation in the initial stage of protein unfolding in urea.

Reprint Address:
Zhou, RH, IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, 1101 Kitchawan Rd, Yorktown Hts, NY 10598 USA.

Research Institution addresses:
[Das, Payel; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA

E-mail Address:
ruhongz@us.ibm.com

Cited References:
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Cited Reference Count:
27

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

Subject Category:
Chemistry, Physical

ISSN:
1520-6106

DOI:
10.1021/jp911444q

IDS Number:
586FO

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ISI Web of Knowledge Alert - Sokhan VP

ISI Web of Knowledge Citation Alert

Cited Article: Sokhan VP. Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
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Title:
Flow-induced instability and bifurcation of carbon nanotubes

Authors:
He, XQ; Yan, Y; Zhang, LX

Author Full Names:
He, X. Q.; Yan, Y.; Zhang, L. X.

Source:
FMA '09: PROCEEDINGS OF THE 7TH IASME / WSEAS INTERNATIONAL CONFERENCE ON FLUID MECHANICS AND AERODYNAMICS : 21-27 2009

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
Carbon nanotubes; Instability; Critical flow velocities; Elastic beam model; Pitchfork bifurcation; Hopf bifurcation

KeyWords Plus:
FLUID-FLOW; NETWORKS; STRENGTH

Abstract:
Carbon nanotubes (CNTs) show great potential for use in nanofluidic devices. Based on an elastic beam model, this paper studies the flow-induced structural instability and bifurcations of CNTs conveying fluids. Explicit formulas have been obtained for the solution of dynamic description of CNTs in which fluids flow. Based on the obtained solutions, the critical flow velocities for Pitchfork bifurcation and Hopf bifurcation have been determined by using the elastic beam model. The results indicate that the critical flow velocities for the structural instability are inversely proportional to the aspect ratio (L/R-out) of the CNT. The effect of the size of CNTs and the surrounding elastic matrix on the instability and divergence of CNT-fluid system has been discussed in detail.

Reprint Address:
He, XQ, City Univ Hong Kong, Dept Bldg & Construct, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.

Research Institution addresses:
[He, X. Q.] City Univ Hong Kong, Dept Bldg & Construct, Kowloon, Hong Kong, Peoples R China

E-mail Address:
bcxqhe@cityu.edu.hk

Cited References:
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Cited Reference Count:
29

Times Cited:
0

Publisher:
WORLD SCIENTIFIC AND ENGINEERING ACAD AND SOC; AG LOANNOU THEOLOGOU 17-23, 15773 ZOGRAPHOU, ATHENS, GREECE

IDS Number:
BOI16

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ISI Web of Knowledge Alert - Hanasaki I

ISI Web of Knowledge Citation Alert

Cited Article: Hanasaki I. Flow structure of water in carbon nanotubes: Poiseuille type or plug-like?
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
========================================================================
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Title:
Molecular Dynamics Simulation of Salt Rejection in Model Surface-Modified Nanopores

Authors:
Goldsmith, J; Martens, CC

Author Full Names:
Goldsmith, Jacob; Martens, Craig C.

Source:
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 (2): 528-535 JAN 21 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBE MEMBRANES; WATER PERMEATION; BROWNIAN MOTORS; TRANSPORT; CHANNEL; FUNCTIONALIZATION; NANOFILTRATION; AQUAPORIN-1; ENERGETICS; MECHANISM

Abstract:
This Letter describes molecular dynamics simulations of pressure induced flow of water and aqueous salt solutions through model nanopores. The systems studied are comprised of (n,n) carbon nanotubes (CNT) that span a membrane constructed of parallel graphene walls separating two solutions reserviors. We emply this system as an idealized model of surface modified nanoporous membranes and thus, both native hydrophobic CNT and nanotubes with artificial surface partial charge patterns are considered. The dependence of the fluxes of water and ions on the nanopore size, nanopore charge patterns, and pressure difference are explored using nonequilibrium molecular dynamics simulation. We demonstrate size-and structure-dependent salt rejection and show evidence of salt flux rectification for our asymmetric nanopore model.

Reprint Address:
Martens, CC, Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.

Research Institution addresses:
[Goldsmith, Jacob; Martens, Craig C.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

E-mail Address:
cmartens@uci.edu

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Cited Reference Count:
43

Times Cited:
0

Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA

ISSN:
1948-7185

DOI:
10.1021/jz900173w

IDS Number:
588BC

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Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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PT J
*Record 1 of 5.
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*Order Full Text [ ]
AU Tawfick, S
Deng, XP
Hart, AJ
Lahann, J
AF Tawfick, Sameh
Deng, Xiaopei
Hart, A. John
Lahann, Joerg
TI Nanocomposite microstructures with tunable mechanical and chemical
properties
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ALIGNED CARBON NANOTUBES; VAPOR-DEPOSITION POLYMERIZATION;
POLY-P-XYLYLENES; AREAL DENSITY; COATINGS; FABRICATION; COMPOSITES;
ARRAYS; MORPHOLOGY; SURFACES
AB We report a two-step chemical vapor deposition (CVD) method for
fabrication of hierarchical polymer-coated carbon nanotube (CNT)
microstructures having tunable mechanical properties and accessible
chemical functionality. Diverse geometries of vertically aligned CNTs
were grown from lithographically patterned catalyst films, and the CNT
microstructures were chemically functionalized via
poly[4-trifluoroacetyl-p-xylylene-co-p-xylylene] made by chemical vapor
deposition polymerization. The polymer coating conformally coated the
individual CNTs and CNT bundles within the CNT "forest''. The chemical
structure of the polymer films was verified by X-ray photoelectron
spectroscopy (XPS) and Fourier transform infrared spectroscopy ( FTIR).
Simple control of the mechanical properties of the nanocomposite
structures can be achieved by adjusting the deposition times during CVD
polymerization. Increasing the polymer film thickness from 10 nm to 27
nm resulted in a change of the Young's modulus from 65 to 80 MPa. These
values are substantially higher than the 36 MPa measured for the
as-grown CNTs without polymer coating. The effect of the polymer
coating in reinforcing the connectivity among CNTs within the
structures has been understood using an analytical model. Finally,
chemical functionality of the CNT composite structures after CVD
polymerization was verified by a 4-fold fluorescence enhancement after
binding of a dye to the coated CNT microstructures. This technique can
be adapted to a wide variety of reactive coatings and facilitates
attachment of chemical groups and functional nanostructures on the
surfaces of the CNTs; therefore, this material could serve as a tunable
platform for coupling mechanical and chemical responses in materials
for environmental and biological sensing.
C1 [Tawfick, Sameh; Hart, A. John] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
[Deng, Xiaopei; Lahann, Joerg] Univ Michigan, Dept Macromol Sci & Engn, Ann Arbor, MI 48109 USA.
[Lahann, Joerg] Univ Michigan, Dept Chem Engn Mat Sci & Engn, Ann Arbor, MI 48109 USA.
RP Hart, AJ, Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
EM ajohnh@umich.edu
lahann@umich.edu
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NR 55
TC 0
PU ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD,
CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
DI 10.1039/c000304m
VL 12
IS 17
BP 4446
EP 4451
SC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
GA 586HB
UT ISI:000276896000025
ER

PT J
*Record 2 of 5.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000276889100028>
*Order Full Text [ ]
AU Das, P
Zhou, RH
AF Das, Payel
Zhou, Ruhong
TI Urea-Induced Drying of Carbon Nanotubes Suggests Existence of a Dry
Globule-like Transient State During Chemical Denaturation of Proteins
SO JOURNAL OF PHYSICAL CHEMISTRY B
LA English
DT Article
ID DISPERSION INTERACTIONS; HYDROPHOBIC COLLAPSE; WATER; GUANIDINIUM;
TRANSPORT; MECHANISM; CHANNEL; MODEL
AB Atomistic dynamics simulations of purely hydrophobic carbon nanotubes
in 8 M urea are performed to dissect the role of dispersion
interactions in the denaturing power of urea. The enhanced population
of urea and a paucity of water in proximity of nanotubes suggest that
the stronger dispersion interaction of urea than water with nanotube
triggers drying of its interior. The preferential intrusion of urea
over water within nanotube interiors irrespective of their diameters
directly implies a "dry globule"-like transient intermediate formation
in the initial stage of protein unfolding in urea.
C1 [Das, Payel; Zhou, Ruhong] IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, Yorktown Hts, NY 10598 USA.
RP Zhou, RH, IBM Corp, Thomas J Watson Res Ctr, Computat Biol Ctr, 1101
Kitchawan Rd, Yorktown Hts, NY 10598 USA.
EM ruhongz@us.ibm.com
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PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1520-6106
DI 10.1021/jp911444q
PD APR 29
VL 114
IS 16
BP 5427
EP 5430
SC Chemistry, Physical
GA 586FO
UT ISI:000276889100028
ER

PT J
*Record 3 of 5.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000277040000015>
*Order Full Text [ ]
AU Goldsmith, J
Martens, CC
AF Goldsmith, Jacob
Martens, Craig C.
TI Molecular Dynamics Simulation of Salt Rejection in Model
Surface-Modified Nanopores
SO JOURNAL OF PHYSICAL CHEMISTRY LETTERS
LA English
DT Article
ID CARBON NANOTUBE MEMBRANES; WATER PERMEATION; BROWNIAN MOTORS;
TRANSPORT; CHANNEL; FUNCTIONALIZATION; NANOFILTRATION; AQUAPORIN-1;
ENERGETICS; MECHANISM
AB This Letter describes molecular dynamics simulations of pressure
induced flow of water and aqueous salt solutions through model
nanopores. The systems studied are comprised of (n,n) carbon nanotubes
(CNT) that span a membrane constructed of parallel graphene walls
separating two solutions reserviors. We emply this system as an
idealized model of surface modified nanoporous membranes and thus, both
native hydrophobic CNT and nanotubes with artificial surface partial
charge patterns are considered. The dependence of the fluxes of water
and ions on the nanopore size, nanopore charge patterns, and pressure
difference are explored using nonequilibrium molecular dynamics
simulation. We demonstrate size-and structure-dependent salt rejection
and show evidence of salt flux rectification for our asymmetric
nanopore model.
C1 [Goldsmith, Jacob; Martens, Craig C.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
RP Martens, CC, Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA.
EM cmartens@uci.edu
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NR 43
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1948-7185
DI 10.1021/jz900173w
PD JAN 21
VL 1
IS 2
BP 528
EP 535
GA 588BC
UT ISI:000277040000015
ER

PT J
*Record 4 of 5.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000276920900001>
*Order Full Text [ ]
AU Kazachkin, DV
Nishimura, Y
Irle, S
Feng, X
Vidic, R
Borguet, E
AF Kazachkin, Dmitry V.
Nishimura, Yoshifumi
Irle, Stephan
Feng, Xue
Vidic, Radisav
Borguet, Eric
TI Temperature and pressure dependence of molecular adsorption on single
wall carbon nanotubes and the existence of an "adsorption/desorption
pressure gap"
SO CARBON
LA English
DT Article
ID PORE STRUCTURE; SENSORS; ACETONE; VAPORS; DESORPTION; DEFECTS; GASES
AB The interaction of acetone with single wall carbon nanotubes (SWCNTs)
was studied by temperature programmed desorption with mass spectrometry
(TPD-MS), after reflux, sonication, or exposure to 7.6 Torr of acetone
vapors at room temperature. Acetone molecules adsorb strongly on SWCNTs
desorbing at similar to 400-900 K, corresponding to desorption energies
of similar to 100-225 kJ/mol, as intact molecules. Exchange of intact
adsorbed molecules with gas phase species was observed in successive
dosing of hydrogenated and deuterated acetone molecules. The desorption
energies reported here are in stark contrast to the desorption energies
(similar to 75 kJ/mol) reported earlier for SWCNTs interacting with
acetone under high vacuum at cryogenic temperatures. This result
suggests activated adsorption/desorption, and is also observed for
adsorption of ethanol, methane, n-butane and 1,3-butadiene on SWCNTs
and on carbon black. Quantum chemical calculations suggest that
adsorption in interstitial channels of bundles formed of large-diameter
SWCNTs is possible and can account for high desorption barriers, a
result of strong dispersion interactions between neighboring SWCNTs.
(C) 2009 Elsevier Ltd. All rights reserved.
C1 [Kazachkin, Dmitry V.; Feng, Xue; Borguet, Eric] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA.
[Kazachkin, Dmitry V.] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA.
[Nishimura, Yoshifumi; Irle, Stephan] Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan.
[Nishimura, Yoshifumi; Irle, Stephan] Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan.
[Feng, Xue; Vidic, Radisav] Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15261 USA.
RP Borguet, E, Temple Univ, Dept Chem, Philadelphia, PA 19122 USA.
EM eborguet@temple.edu
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NR 32
TC 0
PU PERGAMON-ELSEVIER SCIENCE LTD; THE BOULEVARD, LANGFORD LANE,
KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
DI 10.1016/j.carbon.2009.11.018
PD JUN
VL 48
IS 7
BP 1867
EP 1875
SC Chemistry, Physical; Materials Science, Multidisciplinary
GA 586OT
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AU Duan, WH
Wang, Q
AF Duan, Wen Hui
Wang, Quan
TI Water Transport with a Carbon Nanotube Pump
SO ACS NANO
LA English
DT Article
DE water transportation; carbon nanotubes; van der Waals energy; energy
pump; molecular dynamics simulations
ID FORCE-FIELD; MOLECULES
AB Transportation of water molecules in a carbon nanotube based on an
energy pump concept is investigated by molecular dynamics simulations.
A small portion of the initially twisted wall of a carbon nanotube is
employed to function as an energy pump for possible smooth
transportation of water molecules. The momentum and resultant force on
a water molecule and the corresponding displacement and velocity of the
molecule are particularly studied to disclose the transportation
process. The efficiency of the transportation is found to be dependent
on the size of the energy pump. Once the process for the transportation
of one molecule is elucidated, transportations of 20 water molecules
are simulated to investigate the effect of the environmental
temperature and fluctuations in the nanotube channel on the
transportation. It is revealed that the accelerated period of multiple
water molecules is longer than that in the transportation of a single
water molecule. In addition, the fluctuations in the nanotube wall due
to the buckling propagation and a higher environmental temperature will
all lead to obvious decreases in the water velocity and hence retard
the transportation process.
C1 [Wang, Quan] Univ Manitoba, Dept Mech & Mfg Engn, Winnipeg, MB R3T 5V6, Canada.
[Duan, Wen Hui] Monash Univ, Dept Civil Engn, Clayton, Vic 3800, Australia.
RP Wang, Q, Univ Manitoba, Dept Mech & Mfg Engn, Winnipeg, MB R3T 5V6,
Canada.
EM q_wang@umanitoba.ca
CR BALL P, 2001, NATURE, V414, P142
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NR 28
TC 0
PU AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
DI 10.1021/nn1001694
PD APR
VL 4
IS 4
BP 2338
EP 2344
SC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary
GA 586ZX
UT ISI:000276956800069
ER

EF

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Friday, April 30, 2010

ISI Web of Knowledge Alert - Ghosh, S

ISI Web of Knowledge Citation Alert

Cited Article: Ghosh, S. Carbon nanotube flow sensors
Alert Expires: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
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Title:
Vertically Aligned Single-Walled Carbon Nanotubes by Chemical Assembly - Methodology, Properties, and Applications

Authors:
Diao, P; Liu, ZF

Author Full Names:
Diao, Peng; Liu, Zhongfan

Source:
ADVANCED MATERIALS 22 (13): 1430-1449 APR 6 2010

Language:
English

Document Type:
Review

KeyWords Plus:
ELECTRON-TRANSFER KINETICS; SCANNING PROBE MICROSCOPY; FIELD-EMISSION; ELECTROCHEMICAL CHARACTERIZATION; FORCE MICROSCOPY; ROOM-TEMPERATURE; VAPOR-DEPOSITION; GOLD; ARRAYS; MONOLAYERS

Abstract:
Single-walled carbon nanotubes (SWNTs), as one of the most promising one-dimension nanomaterials due to its unique structure, peculiar chemical, mechanical, thermal, and electronic properties, have long been considered as an important building block to construct ordered alignments. Vertically aligned SWNTs (v-SWNTs) have been successfully prepared by using direct growth and chemical assembly strategies. In this review, we focus explicitly on the v-SWNTs fabricated via chemical assembly strategy. We provide the readers with a full and systematic summary covering the advances in all aspects of this area, including various approaches for the preparation of v-SWNTs using chemical assembly techniques, characterization, assembly kinetics, and electrochemical properties of v-SWNTs. We also review the applications of v-SWNTs in electrochemical and bioelectrochemical sensors, photoelectric conversion, and scanning probe microscopy.

Reprint Address:
Liu, ZF, Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci,Ctr Nanochem, Beijing 100871, Peoples R China.

Research Institution addresses:
[Liu, Zhongfan] Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, Beijing Natl Lab Mol Sci,Ctr Nanochem, Beijing 100871, Peoples R China; [Diao, Peng] Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China

E-mail Address:
zfliu@pku.edu.cn

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Cited Reference Count:
133

Times Cited:
0

Publisher:
WILEY-V C H VERLAG GMBH; PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY

Subject Category:
Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter

ISSN:
0935-9648

DOI:
10.1002/adma.200903592

IDS Number:
584FY

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