Thursday, August 27, 2009

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: 22 OCT 2009
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Water-Driven Assembly of Laser Ablation-Induced Au Condensates as Mesomorphic Nano- and Micro-Tubes

Authors:
Huang, CN; Chen, SY; Zheng, YY; Shen, PY

Author Full Names:
Huang, Chang-Ning; Chen, Shuei-Yuan; Zheng, Yuyuan; Shen, Pouyan

Source:
NANOSCALE RESEARCH LETTERS 4 (9): 1064-1072 SEP 2009

Language:
English

Document Type:
Article

Author Keywords:
Gold; Nanocondensates; Nanotubes; Self-assembly; Water

KeyWords Plus:
SURFACE-ENHANCED RAMAN; GOLD NANOPARTICLES; CARBON NANOTUBE; NANOTECHNOLOGY; TEMPERATURE; PARTICLES; CATALYSIS; CLUSTERS; SILVER; SIZE

Abstract:
Reddish Au condensates, predominant atom clusters and minor amount of multiply twinned particles and fcc nanoparticles with internal compressive stress, were produced by pulsed laser ablation on gold target in de-ionized water under a very high power density. Such condensates were self-assembled as lamellae and then nano- to micro-diameter tubes with multiple walls when aged at room temperature in water for up to 40 days. The nano- and micro-tubes have a lamellar- and relaxed fcc-type wall, respectively, both following partial epitaxial relationship with the co-existing multiply twinned nanoparticles. The entangled tubes, being mesomorphic with a large extent of bifurcation, flexibility, opaqueness, and surface-enhanced Raman scattering, may have potential encapsulated and catalytic/label applications in biomedical systems.

Reprint Address:
Shen, PY, Natl Sun Yat Sen Univ, Inst Mat Sci & Engn, Dept Mat & Optoelect Sci, Ctr Nanosci & Nanotechnol, Kaohsiung 80424, Taiwan.

Research Institution addresses:
[Huang, Chang-Ning; Zheng, Yuyuan; Shen, Pouyan] Natl Sun Yat Sen Univ, Inst Mat Sci & Engn, Dept Mat & Optoelect Sci, Ctr Nanosci & Nanotechnol, Kaohsiung 80424, Taiwan; [Chen, Shuei-Yuan] I Shou Univ, Dept Mech & Automat Engn, Kaohsiung, Taiwan

E-mail Address:
pshen@mail.nsysu.edu.tw

Cited References:
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Cited Reference Count:
34

Times Cited:
0

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

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

ISSN:
1931-7573

DOI:
10.1007/s11671-009-9359-x

IDS Number:
483ZU

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Title:
Computational Study of a Nanobiosensor: A Single-Walled Carbon Nanotube Functionalized with the Coxsackie-Adenovirus Receptor

Authors:
Johnson, RR; Rego, BJ; Johnson, ATC; Klein, ML

Author Full Names:
Johnson, Robert R.; Rego, Blake Jon; Johnson, A. T. Charlie; Klein, Michael L.

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 113 (34): 11589-11593 AUG 27 2009

Language:
English

Document Type:
Article

KeyWords Plus:
MOLECULAR-DYNAMICS; DNA; PROTEINS; WATER; SIMULATION; MECHANISM; BINDING

Abstract:
Combining single-walled carbon nanotubes (CNT) with biological molecules provides a route to novel nanoscale materials with many promising applications in nanotechnology and nanomedicine. Recent experiments show that CNTs covalently functionalized with the coxsackie-adenovirus receptor (CAR) serve as biosensors capable of specifically recognizing Knob proteins from the adenovirus capsid. These experiments suggest that CAR retains its biologically active form when bound to CNT, but a detailed understanding of the structural changes that occur within CAR after CNT attachment is lacking. To address this, we have performed all-atom classical molecular dynamics (MD) simulations of CAR and the CAR-Knob complex in aqueous solution alone and also when covalently linked to CNT. The MD results show that the CNT damps structural fluctuations in CAR and reduces the internal mobility of the protein. However, CNT induces very little structural deformation and does not affect CAR's ability!
to specifically bind Knob. This MD study verifies that CAR retains its biological functionality when attached to CNT and provides a computational approach to rationalize nanobiosensing devices.

Reprint Address:
Johnson, RR, Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA.

Research Institution addresses:
[Johnson, Robert R.; Johnson, A. T. Charlie] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA; [Klein, Michael L.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA; [Rego, Blake Jon] Columbia Univ, Fu Fdn, Sch Engn & Appl Sci, New York, NY 10027 USA

E-mail Address:
robertjo@physics.upenn.edu; cjohnson@physics.upenn.edu

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Cited Reference Count:
28

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/jp901999a

IDS Number:
484BI

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Title:
Computational study of the transmembrane domain of the acetylcholine receptor

Authors:
Song, C; Corry, B

Author Full Names:
Song, Chen; Corry, Ben

Source:
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 38 (7): 961-970 SEP 2009

Language:
English

Document Type:
Article

Author Keywords:
Ion channel; Acetylcholine receptor; Gating; Membrane potential; Molecular dynamics; Brownian dynamics

KeyWords Plus:
GATED ION-CHANNEL; NORMAL-MODE ANALYSIS; PARTICLE MESH EWALD; X-RAY-STRUCTURE; BROWNIAN DYNAMICS; GATING MECHANISM; VOLTAGE-DEPENDENCE; POTASSIUM CHANNEL; SINGLE-CHANNEL; OPEN STATE

Abstract:
The nicotinic acetylcholine receptor (nAChR) is a ligand-gated ion channel protein whose transmembrane domain (TM-domain) is believed to be responsible for channel gating via a hydrophobic effect. In this work, we perform molecular dynamics and Brownian dynamics simulations to investigate the effect of transmembrane potential on the conformation and water occupancy of TM-domain, and the resulting ion permeation events. The results show that the behavior of the hydrophobic gate is voltage-dependent. Large hyperpolarized membrane potential can change the conformation of TM-domain and water occupancy in this region, which may enable ion conduction. An electrostatic gating mechanism is also proposed from our simulations, which seems to play a role in addition to the well-known hydrophobic effect.

Reprint Address:
Song, C, Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia.

Research Institution addresses:
[Song, Chen; Corry, Ben] Univ Western Australia, Sch Biomed Biomol & Chem Sci, Crawley, WA 6009, Australia

E-mail Address:
sc3210@gmail.com

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Cited Reference Count:
47

Times Cited:
0

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

Subject Category:
Biophysics

ISSN:
0175-7571

DOI:
10.1007/s00249-009-0476-3

IDS Number:
484OK

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ISI Web of Knowledge Alert - Thompson, P

ISI Web of Knowledge Citation Alert
Cited Article:   Thompson, P. A general boundary condition for liquid flow at solid surfaces
Alert Expires:   21 OCT 2009
Number of Citing Articles:   2 new records this week (2 in this e-mail)
Organization ID:   3b97d1bbc1878baed0ab183d8b03130b

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Title: A brief introduction to slippage, droplets and mixing in microfluidic systems
Authors: Tabeling, P
Author Full Names: Tabeling, P.
Source: LAB ON A CHIP 9 (17): 2428-2436 2009
Language: English
Document Type: Review
KeyWords Plus: FLUID-SOLID INTERFACE; HYDROPHOBIC SURFACES; NEWTONIAN LIQUIDS; MASS-TRANSPORT; BOUNDARY SLIP; LONG BUBBLES; FLOW; MICROCHANNELS; WATER; MICROMIXERS
Reprint Address: Tabeling, P, ESPCI ParisTech, MMN, Gulliver, 10 Rue Vauquelin, F-75005 Paris, France.
Research Institution addresses: ESPCI ParisTech, MMN, Gulliver, F-75005 Paris, France
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Cited Reference Count: 105
Times Cited: 0
Publisher: ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Subject Category: Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology
ISSN: 1473-0197
DOI: 10.1039/b904937c
IDS Number: 483NZ

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Title: Characterizing dispersion in microfluidic channels
Authors: Datta, S; Ghosal, S
Author Full Names: Datta, Subhra; Ghosal, Sandip
Source: LAB ON A CHIP 9 (17): 2537-2550 2009
Language: English
Document Type: Review
KeyWords Plus: CAPILLARY-ZONE-ELECTROPHORESIS; FIELD-FLOW FRACTIONATION; PERFORMANCE LIQUID-CHROMATOGRAPHY; SOLID-PHASE EXTRACTION; ELECTROOSMOTIC FLOW; ELECTROKINETIC TRANSPORT; HYDRODYNAMIC DISPERSION; ASYMPTOTIC THEORY; PRESSURE-DRIVEN; LAMINAR-FLOW
Abstract: Dispersion or spreading of analyte bands is a barrier to achieving high resolution in microfluidic separations. The role of dispersion in separations is reviewed with emphasis on metrics, sources and common principles of analysis. Three sources of dispersion (a) inhomogeneous flow fields, (b) solute wall interactions and (c) force fields normal to channel walls are studied in detail. Microfluidic and nanofluidic applications to capillary electrophoresis, chromatography and field-flow fractionation, that are subject to one or more of these three physical processes under standard, unintentional or novel operating conditions, are discussed.
Reprint Address: Datta, S, Ohio State Univ, 201 W 19th Ave, Columbus, OH 43210 USA.
Research Institution addresses: [Datta, Subhra] Ohio State Univ, Columbus, OH 43210 USA; [Ghosal, Sandip] Northwestern Univ, Evanston, IL 60208 USA
E-mail Address: datta.20@osu.edu; s-ghosal@northwestern.edu
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Publisher: ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Subject Category: Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology
ISSN: 1473-0197
DOI: 10.1039/b822948c
IDS Number: 483NZ

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Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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AU Ahadian, S
Kawazoe, Y
AF Ahadian, Samad
Kawazoe, Yoshiyuki
TI An Artificial Intelligence Approach for Modeling and Prediction of
Water Diffusion Inside a Carbon Nanotube
SO NANOSCALE RESEARCH LETTERS
LA English
DT Article
DE Carbon nanotube; Water diffusion; Artificial intelligence; Modeling and
prediction
ID FAST MASS-TRANSPORT; PERMEATION; CHANNELS; BEHAVIOR
AB Modeling of water flow in carbon nanotubes is still a challenge for the
classic models of fluid dynamics. In this investigation, an
adaptive-network-based fuzzy inference system (ANFIS) is presented to
solve this problem. The proposed ANFIS approach can construct an
input-output mapping based on both human knowledge in the form of fuzzy
if-then rules and stipulated input-output data pairs. Good performance
of the designed ANFIS ensures its capability as a promising tool for
modeling and prediction of fluid flow at nanoscale where the continuum
models of fluid dynamics tend to break down.
C1 [Ahadian, Samad; Kawazoe, Yoshiyuki] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan.
RP Ahadian, S, Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan.
EM ahadian@imr.edu
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NR 25
TC 0
PU SPRINGER; 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1931-7573
DI 10.1007/s11671-009-9361-3
PD SEP
VL 4
IS 9
BP 1054
EP 1058
SC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Physics, Applied
GA 483ZU
UT ISI:000269013100014
ER

PT J
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AU Tabeling, P
AF Tabeling, P.
TI A brief introduction to slippage, droplets and mixing in microfluidic
systems
SO LAB ON A CHIP
LA English
DT Review
ID FLUID-SOLID INTERFACE; HYDROPHOBIC SURFACES; NEWTONIAN LIQUIDS;
MASS-TRANSPORT; BOUNDARY SLIP; LONG BUBBLES; FLOW; MICROCHANNELS;
WATER; MICROMIXERS
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NR 105
TC 0
PU ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD,
CAMBRIDGE CB4 0WF, CAMBS,
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SN 1473-0197
DI 10.1039/b904937c
VL 9
IS 17
BP 2428
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SC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience
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UT ISI:000268975200002
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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: 18 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
An Artificial Intelligence Approach for Modeling and Prediction of Water Diffusion Inside a Carbon Nanotube

Authors:
Ahadian, S; Kawazoe, Y

Author Full Names:
Ahadian, Samad; Kawazoe, Yoshiyuki

Source:
NANOSCALE RESEARCH LETTERS 4 (9): 1054-1058 SEP 2009

Language:
English

Document Type:
Article

Author Keywords:
Carbon nanotube; Water diffusion; Artificial intelligence; Modeling and prediction

KeyWords Plus:
FAST MASS-TRANSPORT; PERMEATION; CHANNELS; BEHAVIOR

Abstract:
Modeling of water flow in carbon nanotubes is still a challenge for the classic models of fluid dynamics. In this investigation, an adaptive-network-based fuzzy inference system (ANFIS) is presented to solve this problem. The proposed ANFIS approach can construct an input-output mapping based on both human knowledge in the form of fuzzy if-then rules and stipulated input-output data pairs. Good performance of the designed ANFIS ensures its capability as a promising tool for modeling and prediction of fluid flow at nanoscale where the continuum models of fluid dynamics tend to break down.

Reprint Address:
Ahadian, S, Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan.

Research Institution addresses:
[Ahadian, Samad; Kawazoe, Yoshiyuki] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

E-mail Address:
ahadian@imr.edu

Cited References:
*MATHWORKS INC, 2006, FUZZ LOG TOOLB US GU.
AQIL M, 2007, J HYDROL, V337, P22, DOI 10.1016/j.jhydrol.2007.01.013.
FRENKEL D, 2002, UNDERSTANDING MOL SI.
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298.
HOOVER WG, 1986, PHYS REV A, V34, P2499.
JANG JS, 1991, P 4 INT FUZZ SYST AS, P82.
JANG JSR, 1991, P 9 NAT C ART INT, P762.
JANG JSR, 1997, NEUROFUZZY SOFT COMP.
JORGENSEN WL, 1983, J CHEM PHYS, V79, P926.
JOSEPH S, 2008, NANO LETT, V8, P452, DOI 10.1021/nl072385q.
MAJUMDER M, 2005, NATURE, V438, P44, DOI 10.1038/43844a.
MANN DJ, 2003, PHYS REV LETT, V90, ARTN 195503.
MATTIA D, 2008, MICROFLUID NANOFLUID, V5, P289, DOI 10.1007/s10404-008-0293-5.
NOSE S, 1984, J CHEM PHYS, V81, P511.
PAGONA G, 2006, CURR MED CHEM, V13, P1789.
SALAS JD, 1993, HDB HYDROLOGY.
TAKAGI T, 1985, IEEE T SYST MAN CYB, V15, UNSP 116132.
THOMAS JA, 2008, NANO LETT, V8, P2788, DOI 10.1021/nl8013617.
VERWEIJ H, 2007, SMALL, V3, P1996, DOI 10.1002/smll.200700368.
WAN RZ, 2005, J AM CHEM SOC, V127, P7166, DOI 10.1021/ja050044d.
WITHBY M, 2008, NANO LETT, V8, P2632, DOI 10.1021/NL080705F.
WON CY, 2007, J AM CHEM SOC, V129, P2748, DOI 10.1021/ja0687318.
ZEIDEL ML, 1992, BIOCHEMISTRY-US, V31, P7436.
ZHENG J, 2003, J CHEM PHYS, V118, P5347, DOI 10.1063/1.1553979.
ZHU FQ, 2004, PHYS REV LETT, V93, ARTN 224501.

Cited Reference Count:
25

Times Cited:
0

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

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

ISSN:
1931-7573

DOI:
10.1007/s11671-009-9361-3

IDS Number:
483ZU

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Friday, August 14, 2009

ISI Web of Knowledge Alert - Ghosh, S

ISI Web of Knowledge Citation Alert

Cited Article: Ghosh, S. Carbon nanotube flow sensors
Alert Expires: 22 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
"Textured" Network Devices: Overcoming Fundamental Limitations Limitations of Nanotube/Nanowire Network-Based Devices

Authors:
Lee, M; Noah, M; Park, J; Seong, MJ; Kwon, YK; Hong, S

Author Full Names:
Lee, Minbaek; Noah, Meg; Park, June; Seong, Maeng-Je; Kwon, Young-Kyun; Hong, Seunghun

Source:
SMALL 5 (14): 1642-1648 JUL 17 2009

Language:
English

Document Type:
Article

Author Keywords:
carbon nanotubes; directed assembly; mobility; nanoelectronics; network devices

KeyWords Plus:
WALLED CARBON NANOTUBES; FIELD-EFFECT TRANSISTORS; ALIGNED ARRAYS; LARGE-SCALE; SINGLE; TRANSPARENT; TRANSPORT; SENSORS

Reprint Address:
Kwon, YK, Kyung Hee Univ, Dept Phys, Seoul 130701, South Korea.

Research Institution addresses:
[Kwon, Young-Kyun] Kyung Hee Univ, Dept Phys, Seoul 130701, South Korea; [Kwon, Young-Kyun] Kyung Hee Univ, Res Inst Basic Sci, Seoul 130701, South Korea; [Noah, Meg; Kwon, Young-Kyun] Univ Massachusetts Lowell, Dept Phys & Appl Phys, Lowell, MA 01854 USA; [Park, June; Seong, Maeng-Je] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea; [Lee, Minbaek; Hong, Seunghun] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea

E-mail Address:
ykkwon@khu.ac.kr; shong@phya.snu.ac.kr

Cited References:
ARNOLD MS, 2006, NAT NANOTECHNOL, V1, P60, DOI 10.1038/nnano.2006.52.
BARONE PW, 2005, NAT MATER, V4, P86, DOI 10.1038/nmat1276.
BEHNAM A, 2006, APPL PHYS LETT, V89, ARTN 093107.
BEHNAM A, 2007, PHYS REV B, V75, ARTN 125432.
BEKYAROVA E, 2005, J AM CHEM SOC, V127, P5990, DOI 10.1021/ja0431531.
BURKE PJ, 2002, P IEEE NANO, P393.
DU FM, 2005, PHYS REV B, V72, ARTN 121404.
FRANK S, 1998, SCIENCE, V280, P1744.
GHOSH S, 2003, SCIENCE, V299, P1042, DOI 10.1126/science.1079080.
GUO J, 2002, APPL PHYS LETT, V80, P3192.
GUO XF, 2005, J AM CHEM SOC, V127, P15045.
HU L, 2004, NANO LETT, V4, P2513, DOI 10.1021/nl048435y.
ILANI S, 2006, NAT PHYS, V2, P687, DOI 10.1038/nphys412.
IM J, 2006, J CHEM PHYS, V124, ARTN 224707.
JAVEY A, 2003, NATURE, V424, P654, DOI 10.1038/nature01797.
KANG SJ, 2007, NAT NANOTECHNOL, V2, P230, DOI 10.1038/nnano.2007.77.
KOCABAS C, 2004, NANO LETT, V4, P2421, DOI 10.1021/nl048487n.
KOCABAS C, 2007, NANO LETT, V7, P1195, DOI 10.1021/nl062907m.
KUMAR S, 2005, PHYS REV LETT, V95, ARTN 066802.
LEE M, 2006, NAT NANOTECHNOL, V1, P66, DOI 10.1038/nnano.2006.46.
LIU J, 1999, CHEM PHYS LETT, V303, P125.
MARTEL R, 1998, APPL PHYS LETT, V73, P2447.
MCEUEN PL, 2004, MRS BULL, V29, P272.
MUSTER J, 1998, J VAC SCI TECHNOL B, V16, P2796.
MYUNG S, 2005, ADV MATER, V17, P2361, DOI 10.1002/adma.200500682.
PARK J, 2006, J KOREAN PHYS SOC, V48, P1347.
RAO SG, 2003, NATURE, V425, P36, DOI 10.1038/425036a.
SNOW ES, 2003, APPL PHYS LETT, V82, P2145, DOI 10.1063/1.1564291.
TANS SJ, 1998, NATURE, V393, P49.
UNALAN HE, 2006, NANO LETT, V6, P677, DOI 10.1021/NL052406l.
YOON YG, 2001, PHYS REV LETT, V86, P688.

Cited Reference Count:
31

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:
1613-6810

DOI:
10.1002/smll.200801500

IDS Number:
478AB

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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: 22 OCT 2009
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Influence of the size of fixed-rigidity spheres on the structural and energy characteristics of hydrophobic hydration

Authors:
Bushuev, YG; Davletbaeva, SV; Korolev, VP

Author Full Names:
Bushuev, Yu. G.; Davletbaeva, S. V.; Korolev, V. P.

Source:
RUSSIAN CHEMICAL BULLETIN 57 (9): 1811-1820 SEP 2008

Language:
English

Document Type:
Article

Author Keywords:
water; aqueous nonelectrolyte solutions; hydrophobic hydration; structure of liquids; intermolecular interactions; computer simulation of liquids

KeyWords Plus:
3-ATTRACTOR WATER MODEL; CARBON NANOTUBES; SOLUTE SIZE; SIMULATIONS; DEPENDENCE; SOLVATION; TEMPERATURE; TRANSITION; MOLECULES; DYNAMICS

Abstract:
Monte Carlo simulations of molecular configurations of aqueous solutions of spherical particles with a special potential of solute-water interaction were carried out. The influence of the particle size on the properties of hydration shells was investigated. Two regimes of hydrophobic hydration with a crossover point at 0.4 nm were found. Hydration of smaller particles causes insignificant changes in the properties of water. Particles larger than 0.4 nm break the liquid water structure. Breaking effects are more pronounced in the first hydration shell of particles. Dewetting of hard sphere surfaces predicted by the LCW phenomenological theory has peculiarities in the case of hydration of fixed-rigidity spheres.

Reprint Address:
Bushuev, YG, Ivanovo State Univ Chem & Technol, 7 Prosp F Engelsa, Ivanovo 153000, Russia.

Research Institution addresses:
[Bushuev, Yu. G.] Ivanovo State Univ Chem & Technol, Ivanovo 153000, Russia; [Davletbaeva, S. V.; Korolev, V. P.] Russian Acad Sci, Inst Solut Chem, Ivanovo 153045, Russia

E-mail Address:
bushuev@isuct.ru; yuriyb2005@gmail.com

Cited References:
ASHBAUGH HS, 2001, J AM CHEM SOC, V123, P10721.
BALL P, 2003, NATURE, V423, P25, DOI 10.1038/423025a.
BENAMOTZ D, 2005, J CHEM PHYS, V123, ARTN 184504.
BUSHUEV Y, 2005, SENSORS-BASEL, V5, P139.
BUSHUEV YG, 1999, RUSS CHEM B+, V48, P831.
BUSHUEV YG, 2003, MOLECULES, V8, P226.
BUSHUEV YG, 2003, VODA STRUKTURA SOSTO, P146.
CHANDLER D, 2005, NATURE, V437, P640, DOI 10.1038/nature04162.
CHANDLER D, 2007, NATURE, V445, P831, DOI 10.1038/445831a.
FINNEY JL, 2001, J MOL LIQ, V90, P303.
FINNEY JL, 2004, PHILOS T R SOC B, V359, P1145, DOI 10.1098/rstb.2004.1495.
FLORIS FM, 1997, J CHEM PHYS, V107, P6353.
FRANK HS, 1945, J CHEM PHYS, V13, P507.
GALLICCHIO E, 2000, J PHYS CHEM B, V104, P6271.
GUILLOT B, 2002, J MOL LIQ, V101, P219.
HOFINGER S, 2005, CHEM SOC REV, V34, P1012, DOI 10.1039/b504088b.
HUANG DM, 2000, P NATL ACAD SCI USA, V97, P8324.
HUANG X, 2003, J PHYS CHEM B, V107, P11742, DOI 10.1021/jp030652k.
HUANG XH, 2005, J PHYS CHEM B, V109, P3546, DOI 10.1021/jp0455201.
HUMMER G, 1998, PHYS REV LETT, V80, P4193.
HUMMER G, 2001, NATURE, V414, P188.
JEDLOVSZKY P, 2006, MOL PHYS, V104, P2465, DOI 10.1080/00268970600761101.
KOGA K, 2001, NATURE, V412, P802.
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503.
LIU P, 2005, NATURE, V437, P159, DOI 10.1038/nature03926.
LUM K, 1999, J PHYS CHEM B, V103, P4570.
MALENKO GG, 2006, ZH STRUCT KHIM S, V47, S5.
MANIWA Y, 2002, J PHYS SOC JPN, V71, P2863, DOI 10.1143/JPSJ.71.2863.
NOVIKOW A, 1999, J MOL LIQ, V79, P203.
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SOUTHALL NT, 2000, J PHYS CHEM B, V104, P1326.
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ZHOU R, 2006, NIC SERIES, V34, P53.

Cited Reference Count:
38

Times Cited:
0

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

Subject Category:
Chemistry, Multidisciplinary

ISSN:
1066-5285

DOI:
10.1007/s11172-008-0244-z

IDS Number:
480JA

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Title:
Molecular Dynamical Simulation of Water/Ice Phase Transitions within Carbon Nanotubes under Various Pressures

Authors:
Yin, B; Dong, SL

Author Full Names:
Yin Bing; Dong Shun-Le

Source:
CHINESE PHYSICS LETTERS 26 (8): Art. No. 086402 AUG 2009

Language:
English

Document Type:
Article

KeyWords Plus:
ICE NANOTUBES; EQUILIBRIA; SYSTEMS; LIQUID

Abstract:
A molecular dynamics simulation is performed for water confined within carbon nanotubes with diameters 11.00 angstrom and 12.38 angstrom. Under pressures from 0.1MPa to 500MPa the simulations are carried out by cooling from 300K to 240 K. Water molecules tend to transform from disordered to ordered with different configurations (square, pentagonal, hexagonal and hexagonal plus a chain). It is concluded that denser structures may appear under high pressures.

Reprint Address:
Yin, B, Ocean Univ China, Dept Phys, Qingdao 266100, Peoples R China.

Research Institution addresses:
[Yin Bing; Dong Shun-Le] Ocean Univ China, Dept Phys, Qingdao 266100, Peoples R China

E-mail Address:
shunle2001@yahoo.com

Cited References:
BELIN T, 2004, J PHYS CHEM B, V108, P5333, DOI 10.1021/jp0310899.
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GORDILLO MC, 2001, CHEM PHYS LETT, V341, P250.
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KOGA K, 2000, NATURE, V408, P564.
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KOGA K, 2001, NATURE, V414, P188.
LENG YS, 2005, PHYS REV LETT, V94, ARTN 026101.
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TANAKA H, 2006, B CHEM SOC JPN, V79, P1621.
TSANG SC, 2000, J CHEM PHYS, V112, P7169.
WANG Y, 2007, CHINESE PHYS LETT, V24, P3276.

Cited Reference Count:
24

Times Cited:
0

Publisher:
IOP PUBLISHING LTD; DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND

Subject Category:
Physics, Multidisciplinary

ISSN:
0256-307X

IDS Number:
479ME

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Thursday, August 13, 2009

ISI Web of Knowledge Alert - Holt JK

ISI Web of Knowledge Citation Alert

Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
Alert Expires: 18 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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FN ISI Export Format
VR 1.0

PT J
*Record 1 of 1.
L5 <http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;UT=000268618100105>
*Order Full Text [ ]
AU Lin, Y
Shiomi, J
Maruyama, S
Amberg, G
AF Lin, Yuan
Shiomi, Junichiro
Maruyama, Shigeo
Amberg, Gustav
TI Dielectric relaxation of water inside a single-walled carbon nanotube
SO PHYSICAL REVIEW B
LA English
DT Article
ID MOLECULAR-DYNAMICS; LIQUID WATER; ICE-NANOTUBES; SIMULATIONS;
NANOSCALE; TRANSPORT; SPECTRA
AB We report a molecular dynamics study of anisotropic dynamics and
dielectric properties of water confined inside a single-walled carbon
nanotube (SWNT) at room temperature. The model includes dynamics of an
SWNT described by a realistic potential function. A comparison with
simulations assuming a rigid nanotube demonstrates that the popular
assumption severely overestimates the dielectric constant for small
diameter SWNTs. Simulations of water inside flexible SWNTs with various
diameters reveal strong directional dependence of the dynamic and
dielectric properties due to the confinement effect. The obtained
dielectric permittivity spectra (DPS) identify two different dipolar
relaxation frequencies corresponding to the axial and the
cross-sectional directions, which are significantly smaller and larger
than the single relaxation frequency of bulk water, respectively. The
frequency variation increases as the SWNT diameter decreases. The
results suggest that DPS can be used as a fingerprint of water inside
SWNTs to monitor the water intrusion into SWNTs.
C1 [Lin, Yuan] SINTEF Mat & Chem, Proc Technol Dept, N-7034 Trondheim, Norway.
[Shiomi, Junichiro; Maruyama, Shigeo] Univ Tokyo, Dept Mech Engn, Bunkyo Ku, Tokyo 1138656, Japan.
[Amberg, Gustav] Royal Inst Technol, Linne FLOW Ctr, Dept Mech, S-10044 Stockholm, Sweden.
RP Lin, Y, SINTEF Mat & Chem, Proc Technol Dept, Alfred Getz Vei 2, N-7034
Trondheim, Norway.
EM yuan.lin@sintef.no
shiomi@photon.t.u-tokyo.ac.jp
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MARTI J, 1994, J CHEM PHYS, V101, P10883
MARTI J, 1999, J CHEM PHYS, V110, P6876
MARTI J, 2001, J CHEM PHYS, V114, P10486
MARTI J, 2001, PHYS REV E 1, V64, ARTN 021504
MURRELL JN, 1994, PROPERTIES LIQUIDS S
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907
NOY A, 2007, NANO TODAY, V2, P22
SAITO R, 1998, PHYS PROPERTIES CARB
SANSOM MSP, 2001, NATURE, V414, P156
SHIOMI J, 2006, PHYS REV B, V73, ARTN 205420
SHIOMI J, 2007, J PHYS CHEM C, V111, P12188, DOI 10.1021/jp071508s
SHIOMI J, 2009, NANOTECHNOLOGY, V20, P55708, ARTN 055708
THIEL PA, 1987, SURF SCI REP, V7, P211
THOMAS JA, 2008, NANO LETT, V8, P2788, DOI 10.1021/nl8013617
WALRAFEN GE, 1964, J CHEM PHYS, V40, P3249
WALRAFEN GE, 1972, WATER COMPREHENSIVE
WEI DQ, 1989, J CHEM PHYS, V91, P7113
NR 33
TC 0
PU AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1098-0121
DI 10.1103/PhysRevB.80.045419
PD JUL
VL 80
IS 4
AR 045419
SC Physics, Condensed Matter
GA 478WA
UT ISI:000268618100105
ER

EF

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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: 18 OCT 2009
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Dielectric relaxation of water inside a single-walled carbon nanotube

Authors:
Lin, Y; Shiomi, J; Maruyama, S; Amberg, G

Author Full Names:
Lin, Yuan; Shiomi, Junichiro; Maruyama, Shigeo; Amberg, Gustav

Source:
PHYSICAL REVIEW B 80 (4): Art. No. 045419 JUL 2009

Language:
English

Document Type:
Article

KeyWords Plus:
MOLECULAR-DYNAMICS; LIQUID WATER; ICE-NANOTUBES; SIMULATIONS; NANOSCALE; TRANSPORT; SPECTRA

Abstract:
We report a molecular dynamics study of anisotropic dynamics and dielectric properties of water confined inside a single-walled carbon nanotube (SWNT) at room temperature. The model includes dynamics of an SWNT described by a realistic potential function. A comparison with simulations assuming a rigid nanotube demonstrates that the popular assumption severely overestimates the dielectric constant for small diameter SWNTs. Simulations of water inside flexible SWNTs with various diameters reveal strong directional dependence of the dynamic and dielectric properties due to the confinement effect. The obtained dielectric permittivity spectra (DPS) identify two different dipolar relaxation frequencies corresponding to the axial and the cross-sectional directions, which are significantly smaller and larger than the single relaxation frequency of bulk water, respectively. The frequency variation increases as the SWNT diameter decreases. The results suggest that DPS can be used as a!
fingerprint of water inside SWNTs to monitor the water intrusion into SWNTs.

Reprint Address:
Lin, Y, SINTEF Mat & Chem, Proc Technol Dept, Alfred Getz Vei 2, N-7034 Trondheim, Norway.

Research Institution addresses:
[Lin, Yuan] SINTEF Mat & Chem, Proc Technol Dept, N-7034 Trondheim, Norway; [Shiomi, Junichiro; Maruyama, Shigeo] Univ Tokyo, Dept Mech Engn, Bunkyo Ku, Tokyo 1138656, Japan; [Amberg, Gustav] Royal Inst Technol, Linne FLOW Ctr, Dept Mech, S-10044 Stockholm, Sweden

E-mail Address:
yuan.lin@sintef.no; shiomi@photon.t.u-tokyo.ac.jp

Cited References:
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ENGLISH NJ, 2002, MOL PHYS, V100, P3753, DOI 10.1080/0026897021000028438.
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MARTI J, 2001, J CHEM PHYS, V114, P10486.
MARTI J, 2001, PHYS REV E 1, V64, ARTN 021504.
MURRELL JN, 1994, PROPERTIES LIQUIDS S.
NAGUIB N, 2004, NANO LETT, V4, P2237, DOI 10.1021/nl0484907.
NOY A, 2007, NANO TODAY, V2, P22.
SAITO R, 1998, PHYS PROPERTIES CARB.
SANSOM MSP, 2001, NATURE, V414, P156.
SHIOMI J, 2006, PHYS REV B, V73, ARTN 205420.
SHIOMI J, 2007, J PHYS CHEM C, V111, P12188, DOI 10.1021/jp071508s.
SHIOMI J, 2009, NANOTECHNOLOGY, V20, P55708, ARTN 055708.
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WALRAFEN GE, 1964, J CHEM PHYS, V40, P3249.
WALRAFEN GE, 1972, WATER COMPREHENSIVE.
WEI DQ, 1989, J CHEM PHYS, V91, P7113.

Cited Reference Count:
33

Times Cited:
0

Publisher:
AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA

Subject Category:
Physics, Condensed Matter

ISSN:
1098-0121

DOI:
10.1103/PhysRevB.80.045419

IDS Number:
478WA

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Friday, August 7, 2009

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: 22 OCT 2009
Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Mechanisms of water infiltration into conical hydrophobic nanopores

Authors:
Liu, L; Zhao, JB; Yin, CY; Culligan, PJ; Chen, X

Author Full Names:
Liu, Ling; Zhao, Jianbing; Yin, Chun-Yang; Culligan, Patricia J.; Chen, Xi

Source:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 (30): 6520-6524 2009

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBES; MOLECULAR-DYNAMICS; TRANSPORT; FLOW; BEHAVIORS; GRAPHITE; PRESSURE; LIQUID

Abstract:
Fluid channels with inclined solid walls (e.g. cone- and slit-shaped pores) have wide and promising applications in micro- and nano-engineering and science. In this paper, we use molecular dynamics (MD) simulations to investigate the mechanisms of water infiltration (adsorption) into cone- shaped nanopores made of a hydrophobic graphene sheet. When the apex angle is relatively small, an external pressure is required to initiate infiltration and the pressure should keep increasing in order to further advance the water front inside the nanopore. By enlarging the apex angle, the pressure required for sustaining infiltration can be effectively lowered. When the apex angle is sufficiently large, under ambient condition water can spontaneously infiltrate to a certain depth of the nanopore, after which an external pressure is still required to infiltrate more water molecules. The unusual involvement of both spontaneous and pressure-assisted infiltration mechanisms in the case of bl!
unt nanocones, as well as other unique nanofluid characteristics, is explained by the Young's relation enriched with the size effects of surface tension and contact angle in the nanoscale confinement.

Reprint Address:
Chen, X, Columbia Univ, Sch Engn & Appl Sci, Columbia Nanomech Res Ctr, Mail Code 4709, New York, NY 10027 USA.

Research Institution addresses:
[Liu, Ling; Zhao, Jianbing; Yin, Chun-Yang; Culligan, Patricia J.; Chen, Xi] Columbia Univ, Sch Engn & Appl Sci, Columbia Nanomech Res Ctr, New York, NY 10027 USA; [Yin, Chun-Yang] Univ Teknol MARA, Fac Chem Engn, Shah Alam 40450, Selangor, Malaysia

E-mail Address:
xc2107@columbia.edu

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Cited Reference Count:
34

Times Cited:
0

Publisher:
ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND

Subject Category:
Chemistry, Physical; Physics, Atomic, Molecular & Chemical

ISSN:
1463-9076

DOI:
10.1039/b905641f

IDS Number:
474EF

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Title:
Synthesis and characterization of a nickel-organic framework encapsulating hetero-chiral helical water chains in the 1-D channels

Authors:
Wang, CJ; Ren, PD; Zhang, ZB; Yi-Fang; Wang, YY

Author Full Names:
Wang, Cui-Juan; Ren, Ping-Di; Zhang, Zhi-Bin; Yi-Fang; Wang, Yao-Yu

Source:
JOURNAL OF COORDINATION CHEMISTRY 62 (17): 2814-2823 2009

Language:
English

Document Type:
Article

Author Keywords:
Nickel; Rigid multitopic ligands; MOFs; Hydrophilic channels; Water chains

KeyWords Plus:
COORDINATION NETWORK; SURFACE-AREA; DESIGN; LIGAND; COMPLEXES; MOLECULES; CRYSTAL; CONDUCTION; GRAMICIDIN; CHEMISTRY

Abstract:
A porous coordination polymer based on nickel(II) and rigid multitopic ligands, {[Ni(dpdapt)(BDC)(H2O)] center dot 3.5H2O}n (1) (dpdapt = N, N'-di(2-pyridyl)-2,4-diamino-6-phenyl-1,3,5-triazine), has been synthesized and characterized. Compound 1 crystallizes in the space group C2/m and possesses a 3-D open framework with 1-D rhombic hydrophilic channels, in which hetero-chiral helical water chains are located. Two 1-D water chains are further stabilized by hydrogen-bonding interactions with the host, inducing a 10-oxygen ring propagated along the channel. TGA, PXRD analyses, and magnetic properties have also been studied.

Reprint Address:
Wang, CJ, SW JiaoTong Univ, Dept Chem & Chem Engn, Sch Life Sci & Bioengn, Chengdu 610031, Sichuan, Peoples R China.

Research Institution addresses:
[Wang, Cui-Juan; Ren, Ping-Di; Zhang, Zhi-Bin; Yi-Fang] SW JiaoTong Univ, Dept Chem & Chem Engn, Sch Life Sci & Bioengn, Chengdu 610031, Sichuan, Peoples R China; [Wang, Yao-Yu] NW Univ Xian, Dept Chem, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Shaanxi, Peoples R China

E-mail Address:
ejuan6046@163.com; wyaoyu@nwu.edu.cn

Cited References:
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Cited Reference Count:
44

Times Cited:
0

Publisher:
TAYLOR & FRANCIS LTD; 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND

Subject Category:
Chemistry, Inorganic & Nuclear

ISSN:
0095-8972

DOI:
10.1080/00958970902926803

IDS Number:
476JT

========================================================================

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Title:
Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid

Authors:
Shim, Y; Kim, HJ

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

Source:
ACS NANO 3 (7): 1693-1702 JUL 2009

Language:
English

Document Type:
Article

Author Keywords:
solvation; ionic liquid; imidazolium ion; carbon nanotube; bucky gels; micropore; molecular dynamics simulations

KeyWords Plus:
SOLUTE ELECTRONIC POLARIZABILITY; MOLTEN-SALTS; SOLAR-CELLS; CATALYSIS; DYNAMICS; WATER; ELECTROLYTES; SIMULATION; CONDUCTIVITY; PERFORMANCE

Abstract:
Single- and double-walled carbon nanotubes in the armchair configuration solvated in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4-) are studied via molecular dynamics (MD) computer simulations. Cations and anions show smeared-out, cylindrical shell-like distributions outside of the nanotubes irrespective of the nanotube diameter. The ion distributions inside the nanotubes vary markedly with their diameter. For example, in the case of (n,n) single-walled nanotubes, EMI+ and BF4- ions separately form single-shell zigzag and chiral distributions for (8,8) and (10,10), respectively, while (12,12) develops a second internal solvation structure. The first internal solvation shell of (15,15) nanotubes consists of alternating layers of cations and anions along the nanotube axis. In the azimuthal direction, these cations and anions, respectively, form a pentagonal structure, whereas the corresponding ions for (20,20) show disordered octagon!
al structures. The smallest nanotube that allows solvent ions inside the tunnel is (7,7) with a diameter of 0.95 nm, which shows a single file distribution of internal ions, Imidazole rings of cations in the first internal and external solvation shells are mainly parallel to the nanotube surface, indicating pi-stacking between the nanotubes and EMI+ ions there.

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; [Kim, Hyung J.] Korea Inst Adv Study, Sch Computat Sci, Seoul 130722, South Korea

E-mail Address:
hjkim@cmu.edu

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Cited Reference Count:
58

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/nn900195b

IDS Number:
474UZ

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