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Friday, September 10, 2010

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:
Multifunctional and multicomponent heterostructured one-dimensional nanostructures: advances in growth, characterisation, and applications

Authors:
Chopra, N

Author Full Names:
Chopra, N.

Source:
MATERIALS TECHNOLOGY 25 (3-4): 212-230 SEP 2010

Language:
English

Document Type:
Article

Author Keywords:
Multifunctional Heterostructures; radially heterostructured nanowires; axially heterostuctured nanowires; ID nanostructures; applications

KeyWords Plus:
CHEMICAL-VAPOR-DEPOSITION; CARBON NANOTUBE MEMBRANES; MULTISHELL NANOWIRE HETEROSTRUCTURES; FULLERENE-LIKE NANOPARTICLES; SINGLE-ELECTRON TRANSISTORS; ZNO HETEROJUNCTION ARRAYS; INDIUM NITRIDE NANOWIRES; SENSITIZED SOLAR-CELLS; LIGHT-EMITTING-DIODES; CORE-SHELL NANOWIRES

Abstract:
Multicomponent nanostructures are of immense importance due to their diverse functionality, improved stability and unique properties. In this regard, heterostructures based on one-dimensional (1D) nanostructures, such as nanotubes and nanowires, will be critical in the future development, miniaturisation and enhanced performance of devices. Of particular importance are radially or axially heterostructured nanowires that can have composition modulation in radial or axial directions with abrupt or non-abrupt interfaces. These heterostructures have immense potential in multifunctional and multicomponent nanoelectronics, optoelectronics, sensors, photocatalysts, solar cells, batteries, biomedical devices and analytical platforms. Different materials can be incorporated into radial or axial nanowire heterostructures via suitable and compatible growth method(s). This article reviews the most recent and pioneering developments in the area of radially and axially heterostructured 1D
nanostructures. In addition, various aspects of growth, device architectures, characterisation methodologies, properties and their applications have been discussed in detail. The article discusses different growth methods for single component 1D nanostructures and how these as well as new methods are being employed to fabricate heterostructured 1D nanostructures. Challenges and motivations in this area of research have been elaborated and a comprehensive literature review covering various milestones of this multifaceted research area have been discussed. The review concludes by outlining future directions and developments required to advance this field.

Reprint Address:
Chopra, N, Univ Alabama, Dept Met & Mat Engn, Ctr Mat Informat Technol MINT, 301 7th Ave,116 Houser Hall, Tuscaloosa, AL 35401 USA.

Research Institution addresses:
Univ Alabama, Dept Met & Mat Engn, Ctr Mat Informat Technol MINT, Tuscaloosa, AL 35401 USA

E-mail Address:
nchopra@eng.ua.edu

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Cited Reference Count:
248

Times Cited:
0

Publisher:
MANEY PUBLISHING; STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND

Subject Category:
Materials Science, Multidisciplinary

ISSN:
1066-7857

DOI:
10.1179/175355510X12723642365124

IDS Number:
642HM

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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: 09 NOV 2010
Number of Citing Articles: 1 new records this week (1 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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PT J
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AU Verbeek, MG
AF Verbeek, Martijn G.
TI Drift velocity of a Smoluchowski gas: A numerical demonstration of the
fluctuation-dissipation theorem
SO PHYSICAL REVIEW E
LA English
DT Article
ID CARBON NANOTUBES; EQUILIBRIUM; SIMULATIONS; TRANSPORT
AB This Brief Report shows that the Smoluchowski thermostat, a stochastic
boundary condition used to mimic a diffusive gas-wall collision,
produces the correct stationary nonequilibrium states. The stationary
states are generated by placing an ideal gas coupled to a Smoluchowski
thermostat in a constant external field. It is shown by simple
numerical simulations that the resulting drift velocity is compatible
with the definition of the gas particle mobility, satisfying the
well-known fluctuation-dissipation theorem. As an interesting
application, it is shown that species that are chemically identical but
differ in surface momentum accommodation can be separated effectively
in the Knudsen regime.
RP Verbeek, MG, Dibbitsstr 12, NL-1689 EE Zwaag, Netherlands.
EM gustafverbeek@gmail.com
CR ACKERMAN DM, 2003, MOL SIMULAT, V29, P677, DOI
10.1080/0892702031000103239
ARYA G, 2003, MOL SIMULAT, V29, P697, DOI 10.1080/0892702031000103257
BIRD RB, 2002, TRANSPORT PHENOMENA, P66
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298
KENNARD EH, 1938, KINETIC THEORY GASES
MAGINN EJ, 1993, J PHYS CHEM-US, V97, P4173
MCQUARRIE DA, 1976, STAT MECH, P463
SKOULIDAS AI, 2002, PHYS REV LETT, V89, ARTN 185901
SMIT B, 2002, UNDERSTANDING MOL SI
SMOLUCHOWSKI M, 2010, ANN PHYS-LEIPZIG, V338, P1559
TENENBAUM A, 1982, PHYS REV A, V25, P2778
VERBEEK MG, 2010, PHYS REV E 2, V81, ARTN 046701
NR 12
TC 0
PU AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1539-3755
DI 10.1103/PhysRevE.82.027701
PD AUG 24
VL 82
IS 2
PN Part 2
AR 027701
SC Physics, Fluids & Plasmas; Physics, Mathematical
GA 641XB
UT ISI:000281164000009
ER

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Friday, August 27, 2010

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: 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:
Reptation of a semiflexible polymer through porous media

Authors:
Nam, G; Johner, A; Lee, NK

Author Full Names:
Nam, Gimoon; Johner, Albert; Lee, Nam-Kyung

Source:
JOURNAL OF CHEMICAL PHYSICS 133 (4): Art. No. 044908 JUL 28 2010

Language:
English

Document Type:
Article

KeyWords Plus:
STIFF POLYMERS; 2 DIMENSIONS; DYNAMICS; DNA; DIFFUSION; CHAIN; FLUCTUATIONS; SIMULATION; MOLECULES; MELTS

Abstract:
We study the motion of a single stiff semiflexible filament of length S through an array of topological obstacles. By means of scaling arguments and two-dimensional computer simulations, we show that the stiff chain kinetics follows the reptation picture, albeit with kinetic exponents (for the central monomer) different from those for flexible chain reptation. At early times when topological constraints are irrelevant, the chain kinetics is the anisotropic dynamics of a free filament. After the entanglement time tau(e) transverse modes are equilibrated under the topological constraints, but the chain is not yet correlated over its whole length. During the relaxation of longitudinal modes, both the longitudinal fluctuation of the central monomer and the longitudinal correlation length grow as similar to root t. After time tau(r) similar to S-2 chain ends are correlated, the chain then diffuses globally along the tube and tube renewal takes place. In the reptation regime, the !
longitudinal fluctuation of the central monomer grows like similar to t(1). The opening of the intermediate similar to root t regime, absent for a free filament, is a signature of the reptation process. Although the underlying physics is quite different, the intermediate regime is reminiscent of the internal Rouse mode relaxation found for reptating flexible chains. In most cases asymptotic power laws from scaling could be complemented by prefactors calculated analytically. Our results are supported by two-dimensional Langevin simulations with fixed obstacles via evaluation of the mean squared displacement of the central monomer. The scaling theory can be extended to long semiflexible polymers adopting random-walk equilibrium configurations and should also apply in three dimensions for porous media with pore diameter smaller than the persistence length of the filament. (C) 2010 American Institute of Physics. [doi:10.1063/1.3457999]

Reprint Address:
Lee, NK, Sejong Univ, Inst Fundamental Phys, Dept Phys, Seoul 143743, South Korea.

Research Institution addresses:
[Nam, Gimoon; Lee, Nam-Kyung] Sejong Univ, Inst Fundamental Phys, Dept Phys, Seoul 143743, South Korea; [Nam, Gimoon; Johner, Albert; Lee, Nam-Kyung] CNRS, Inst Charles Sadron, UP22, F-67034 Strasbourg 2, France

E-mail Address:
lee@sejong.ac.kr

Cited References:
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Cited Reference Count:
36

Times Cited:
0

Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA

Subject Category:
Physics, Atomic, Molecular & Chemical

ISSN:
0021-9606

DOI:
10.1063/1.3457999

IDS Number:
637YM

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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)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Piezopotential Gated Nanowire-Nanotube Hybrid Field-Effect Transistor

Authors:
Liu, WH; Lee, M; Ding, L; Liu, J; Wang, ZL

Author Full Names:
Liu, Weihua; Lee, Minbaek; Ding, Lei; Liu, Jie; Wang, Zhong Lin

Source:
NANO LETTERS 10 (8): 3084-3089 AUG 2010

Language:
English

Document Type:
Article

Author Keywords:
Piezotronic effect; piezopotential; field-effect transistor; carbon nanotube; ZnO nanowire

KeyWords Plus:
WALLED CARBON NANOTUBES; ZNO NANOWIRE; SINGLE; NANOGENERATORS; TRANSPORT; SENSORS; GROWTH; ARRAYS

Abstract:
We report the First piezoelectric potential gated hybrid held-effect transistors based on nanotubes and nanowires. The device consists of single-walled carbon nanotubes (SWNTs) on the bottom and crossed ZnO piezoelectric fine wire (PEW) on the top with an insulating layer between. Here, SWNTs serve as a carrier transport channel, and a single-crystal ZnO PFW acts as the power-free, contact-free gate or even an energy-harvesting component later on. The piezopotential created by an external force in the ZnO PFW is demonstrated to control the charge transport in the SWNT channel located underneath. The magnitude of the piezopotential in the PFW at a tensile strain of 0.05% is measured to be 0.4-0.6 V. The device is a unique coupling between the piezoelectric property of the ZnO PFW and the semiconductor performance of the SWNT with a full utilization of its mobility. The newly demonstrated device has potential applications as a strain sensor, force/pressure monitor, security tr!
igger, and analog-signal touch screen,

Reprint Address:
Wang, ZL, Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.

Research Institution addresses:
[Liu, Weihua; Lee, Minbaek; Wang, Zhong Lin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA; [Ding, Lei; Liu, Jie] Duke Univ, Dept Chem, Durham, NC 27708 USA; [Liu, Weihua] Xi An Jiao Tong Univ, Dept Microelect, Xian 710049, Shaanxi, Peoples R China

E-mail Address:
zhong.wang@mse.gatech.edu

Cited References:
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Cited Reference Count:
30

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:
1530-6984

DOI:
10.1021/nl1017145

IDS Number:
636JO

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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 AUG 2011
Number of Citing Articles: 2 new records this week (2 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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*Record 1 of 2.
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Title:
Theoretic, Experimental, Clinical Bases of the Water Oscillator Hypothesis in Near-Infrared Photobiomodulation

Authors:
Santana-Blank, L; Rodriguez-Santana, E; Santana-Rodriguez, K

Author Full Names:
Santana-Blank, Luis; Rodriguez-Santana, Elizabeth; Santana-Rodriguez, Karin

Source:
PHOTOMEDICINE AND LASER SURGERY 28: S41-S52 Suppl. 1 AUG 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CYTOCHROME-C-OXIDASE; PULSED-LASER DEVICE; EMITTING DIODE IRRADIATION; NEURODEGENERATIVE DISEASES; CELL-PROLIFERATION; ELECTRIC-FIELD; LIVING CELLS; NITRIC-OXIDE; ADVANCED NEOPLASIAS; AXONAL-TRANSPORT

Abstract:
The objective of this review is to propose and document a role for the water oscillator in near-infrared (NIR) photobiomodulation. Greater understanding of the role of the water oscillator may add to a more-coherent description of central effects of NIR light on redox centers and key transmembrane enzymes such as cytochrome c oxidase (CcO). In addition, water provides a complementary pathway for absorption and transportation of NIR energy in photobiomodulation. Because of its unexpected potential, we propose terming it the "water oscillator paradox.'' Photobiologic mechanisms involved in the treatment of complex diseases are discussed in light of the present state of the art.

Reprint Address:
Santana-Blank, L, MUN 1262,Calle Las Flores CC Carabel PB,Local 2, Puerto La Cruz 6023 1, Estado Anzoateg, Venezuela.

Research Institution addresses:
[Santana-Blank, Luis; Rodriguez-Santana, Elizabeth; Santana-Rodriguez, Karin] Fdn Interdisciplinary Res & Dev, Caracas, Venezuela

E-mail Address:
luissantanablank@msn.com

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Cited Reference Count:
142

Times Cited:
0

Publisher:
MARY ANN LIEBERT INC; 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA

Subject Category:
Surgery

ISSN:
1549-5418

DOI:
10.1089/pho.2009.2647

IDS Number:
635PE

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

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Title:
Global Phase Diagram of Water Confined on the Nanometer Scale

Authors:
Kyakuno, H; Matsuda, K; Yahiro, H; Fukuoka, T; Miyata, Y; Yanagi, K; Maniwa, Y; Kataura, H; Saito, T; Yumura, M; Iijima, S

Author Full Names:
Kyakuno, Haruka; Matsuda, Kazuyuki; Yahiro, Hitomi; Fukuoka, Tomoko; Miyata, Yasumitsu; Yanagi, Kazuhiro; Maniwa, Yutaka; Kataura, Hiromichi; Saito, Takeshi; Yumura, Motoo; Iijima, Sumio

Source:
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 79 (8): Art. No. 083802 AUG 2010

Language:
English

Document Type:
Article

Author Keywords:
carbon nanotubes; water; ice nanotubes; phase diagram; wet-dry transition

KeyWords Plus:
WALLED CARBON NANOTUBES; ICE-NANOTUBES

Abstract:
Water confined on the nanometer scale exhibits unusual behavior that cannot be observed in the bulk. The freezing/melting temperature T-m of liquids is one of the most prominent phenomena that strongly depend on geometrical confinement. In this work, we report the phase behaviors of water in a cylindrical pore of single-walled carbon nanotubes (SWCNTs). Previous studies [Maniwa et al.: Chem. Phys. Lett. 401 ( 2005) 534] of SWCNTs with diameters D from 1.17 to 1.45 nm clarified that water shows a liquid-to-solid like transition with decreasing temperature. In the present work, we increased the diameter to D 2: 4 nm to establish the global phase diagram of water. Employing a combination of X-ray diffraction and NMR experiments, we found that water within an SWCNT undergoes a wet dry transition instead of ice formation once D exceeds about 1.6 nm.

Reprint Address:
Kyakuno, H, Tokyo Metropolitan Univ, Dept Phys, Fac Sci, 1-1 Minami Osawa, Tokyo 1920397, Japan.

Research Institution addresses:
[Kyakuno, Haruka; Matsuda, Kazuyuki; Yahiro, Hitomi; Fukuoka, Tomoko; Miyata, Yasumitsu; Yanagi, Kazuhiro; Maniwa, Yutaka] Tokyo Metropolitan Univ, Dept Phys, Fac Sci, Tokyo 1920397, Japan; [Maniwa, Yutaka; Kataura, Hiromichi] CREST, JST, Kawaguchi, Saitama 3320012, Japan; [Kataura, Hiromichi] Natl Inst Adv Ind Sci & Technol, NRI, Tsukuba, Ibaraki 3058562, Japan; [Saito, Takeshi; Yumura, Motoo; Iijima, Sumio] Natl Inst Adv Ind Sci & Technol, Nanotube Res Ctr, Tsukuba, Ibaraki 3058565, Japan; [Saito, Takeshi] Japan Sci & Technol Agcy, PRESTO, Kawaguchi, Saitama 3320012, Japan

E-mail Address:
ymaniwa@tmu.ac.jp

Cited References:
BAI JE, 2006, P NATL ACAD SCI USA, V103, P19664, DOI 10.1073/pnas.0608401104.
BELIN T, 2004, J PHYS CHEM B, V108, P5333, DOI 10.1021/jp0310899.
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Cited Reference Count:
27

Times Cited:
0

Publisher:
PHYSICAL SOC JAPAN; EISHIN-KAIHATSU BLDG, 5TH FLR, 5-34-3 SHINBASHI, MINATO-KU, TOKYO 105-0004, JAPAN

Subject Category:
Physics, Multidisciplinary

ISSN:
0031-9015

DOI:
10.1143/JPSJ.79.083802

IDS Number:
636MZ

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ISI Web of Knowledge Alert - Holt JK

ISI Web of Knowledge Citation Alert

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=000280742100017>
*Order Full Text [ ]
AU Kyakuno, H
Matsuda, K
Yahiro, H
Fukuoka, T
Miyata, Y
Yanagi, K
Maniwa, Y
Kataura, H
Saito, T
Yumura, M
Iijima, S
AF Kyakuno, Haruka
Matsuda, Kazuyuki
Yahiro, Hitomi
Fukuoka, Tomoko
Miyata, Yasumitsu
Yanagi, Kazuhiro
Maniwa, Yutaka
Kataura, Hiromichi
Saito, Takeshi
Yumura, Motoo
Iijima, Sumio
TI Global Phase Diagram of Water Confined on the Nanometer Scale
SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
LA English
DT Article
DE carbon nanotubes; water; ice nanotubes; phase diagram; wet-dry
transition
ID WALLED CARBON NANOTUBES; ICE-NANOTUBES
AB Water confined on the nanometer scale exhibits unusual behavior that
cannot be observed in the bulk. The freezing/melting temperature T-m of
liquids is one of the most prominent phenomena that strongly depend on
geometrical confinement. In this work, we report the phase behaviors of
water in a cylindrical pore of single-walled carbon nanotubes (SWCNTs).
Previous studies [Maniwa et al.: Chem. Phys. Lett. 401 ( 2005) 534] of
SWCNTs with diameters D from 1.17 to 1.45 nm clarified that water shows
a liquid-to-solid like transition with decreasing temperature. In the
present work, we increased the diameter to D 2: 4 nm to establish the
global phase diagram of water. Employing a combination of X-ray
diffraction and NMR experiments, we found that water within an SWCNT
undergoes a wet dry transition instead of ice formation once D exceeds
about 1.6 nm.
C1 [Kyakuno, Haruka; Matsuda, Kazuyuki; Yahiro, Hitomi; Fukuoka, Tomoko; Miyata, Yasumitsu; Yanagi, Kazuhiro; Maniwa, Yutaka] Tokyo Metropolitan Univ, Dept Phys, Fac Sci, Tokyo 1920397, Japan.
[Maniwa, Yutaka; Kataura, Hiromichi] CREST, JST, Kawaguchi, Saitama 3320012, Japan.
[Kataura, Hiromichi] Natl Inst Adv Ind Sci & Technol, NRI, Tsukuba, Ibaraki 3058562, Japan.
[Saito, Takeshi; Yumura, Motoo; Iijima, Sumio] Natl Inst Adv Ind Sci & Technol, Nanotube Res Ctr, Tsukuba, Ibaraki 3058565, Japan.
[Saito, Takeshi] Japan Sci & Technol Agcy, PRESTO, Kawaguchi, Saitama 3320012, Japan.
RP Kyakuno, H, Tokyo Metropolitan Univ, Dept Phys, Fac Sci, 1-1 Minami
Osawa, Tokyo 1920397, Japan.
EM ymaniwa@tmu.ac.jp
CR BAI JE, 2006, P NATL ACAD SCI USA, V103, P19664, DOI
10.1073/pnas.0608401104
BELIN T, 2004, J PHYS CHEM B, V108, P5333, DOI 10.1021/jp0310899
BYL O, 2006, J AM CHEM SOC, V128, P12090, DOI 10.1021/ja057856u
GHOSH S, 2004, EUROPHYS LETT, V65, P678, DOI 10.1209/epl/i2003-10160-9
HENSEN EJM, 2002, J PHYS CHEM B, V106, P12664, DOI 10.1021/jp0264883
HOLT JK, 2006, SCIENCE, V312, P1034, DOI 10.1126/science.1126298
HUMMER G, 2001, NATURE, V414, P188
JACKSON KA, 1958, J APPL PHYS, V29, P1178
KADOWAKI H, 2005, J PHYS SOC JPN, V74, P2990, DOI 10.1143/JPSJ.74.2990
KOGA K, 2001, NATURE, V412, P802
KOLESNIKOV AI, 2004, PHYS REV LETT, V93, ARTN 035503
LIU ZH, 2003, PHYS REV E 1, V67, ARTN 061602
MANIWA Y, 2002, J PHYS SOC JPN, V71, P2863, DOI 10.1143/JPSJ.71.2863
MANIWA Y, 2005, CHEM PHYS LETT, V401, P534, DOI
10.1016/j.cplett.2004.11.112
MANIWA Y, 2007, NAT MATER, V6, P135, DOI 10.1038/nmat1823
MATSUDA K, 2006, PHYS REV B, V74, ARTN 073415
MIKAMI F, 2009, ACS NANO, V3, P1279, DOI 10.1021/nn900221t
MORISHIGE K, 1999, J CHEM PHYS, V110, P4867
NGUYEN TD, 2005, P NATL ACAD SCI USA, V102, P10029, DOI
10.1073/pnas.0504109102
NOON WH, 2002, CHEM PHYS LETT, V355, P445
SAITO T, 2006, J PHYS CHEM B, V110, P5849, DOI 10.1021/jp057513i
SAITO T, 2008, J NANOSCI NANOTECHNO, V8, P6153, DOI
10.1166/jnn.2008.SW23
SHIOMI J, 2007, J PHYS CHEM C, V111, P12188, DOI 10.1021/jp071508s
STRIOLO A, 2005, J CHEM PHYS, V122, ARTN 234712
TAKAIWA D, 2008, P NATL ACAD SCI USA, V105, P39, DOI
10.1073/pnas.0707917105
TANAKA H, 2005, J CHEM PHYS, V123, ARTN 094706
YANAGI K, 2008, APPL PHYS EXPRESS, V1, ARTN 034003
NR 27
TC 0
PU PHYSICAL SOC JAPAN; EISHIN-KAIHATSU BLDG, 5TH FLR, 5-34-3 SHINBASHI,
MINATO-KU, TOKYO
105-0004, JAPAN
SN 0031-9015
DI 10.1143/JPSJ.79.083802
PD AUG
VL 79
IS 8
AR 083802
SC Physics, Multidisciplinary
GA 636MZ
UT ISI:000280742100017
ER

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Friday, August 20, 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: 4 new records this week (4 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Proton transport in water confined in carbon nanotubes: a reactive molecular dynamics study

Authors:
Selvan, ME; Keffer, DJ; Cui, S; Paddison, SJ

Author Full Names:
Selvan, M. Esai; Keffer, D. J.; Cui, S.; Paddison, S. J.

Source:
MOLECULAR SIMULATION 36 (7-8): 568-578 Sp. Iss. SI 2010

Language:
English

Document Type:
Proceedings Paper

Author Keywords:
proton transport; structural diffusion; carbon nanotubes; confinement

KeyWords Plus:
POLYMER ELECTROLYTE MEMBRANES; LIQUID WATER; HYDRATED NAFION(R); EXCESS PROTON; FUEL-CELLS; SIMULATION; SOLVATION; MODEL; INTERFACE; CONDUCTION

Abstract:
The effects on the structural and transport properties of a proton in water confined in carbon nanotubes of radii ranging from 5.42 to 10.85 angstrom were studied by employing a recently devised reactive molecular dynamics (RMD) scheme. The formation of distinct layers was observed in the computed radial density profile of water. Affinity of hydronium ions towards the tube-water interface and its preferential orientation with the oxygen atom protruding towards the wall was observed. The axial water diffusivity was observed to decrease with increasing confinement of water. Analysis of the axial charge diffusivity and its two components (structural and vehicular) was also performed. Confinement was found to have a more significant effect on structural diffusion than on vehicular diffusion. The axial vehicular component of the charge diffusivity in the nanotube of radius 10.85 angstrom was found to be equal to the value computed in bulk water while structural component was 12% !
of the value observed in bulk water, which resulted in a total charge diffusivity of 42% of the diffusion in bulk water. The confined geometry affects the system energetically and perturbs the solvation structure around the proton from that found in bulk water. The RMD algorithm, which defines the occurrence of a proton transfer reaction based on the satisfaction of a set of triggers, identified the energetic factor to be greatly responsible for the decreased structural diffusion of a proton.

Reprint Address:
Keffer, DJ, Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.

Research Institution addresses:
[Selvan, M. Esai; Keffer, D. J.; Cui, S.; Paddison, S. J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA

E-mail Address:
dkeffer@utk.edu

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Cited Reference Count:
72

Times Cited:
0

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

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

ISSN:
0892-7022

DOI:
10.1080/08927021003752887

IDS Number:
634MN

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Title:
Ion Rejection Properties of Nanopores with Bipolar Fixed Charge Distributions

Authors:
Szymczyk, A; Zhu, HC; Balannec, B

Author Full Names:
Szymczyk, Anthony; Zhu, Haochen; Balannec, Beatrice

Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (31): 10143-10150 AUG 12 2010

Language:
English

Document Type:
Article

KeyWords Plus:
ULTRAFINE CAPILLARIES; NANOFLUIDIC CHANNELS; TRANSPORT-PROPERTIES; ELECTROOSMOTIC FLOW; CONICAL NANOPORES; ENERGY-CONVERSION; REGULATION MODEL; CARBON NANOTUBE; SALT REJECTION; WATER CHANNEL

Abstract:
Ion rejection properties of cylindrical nanopores with bipolar fixed charge distributions have been investigated theoretically by means of an approximate model based on the Poisson-Nernst-Planck (PNP) theory and accounting for the electroosmosis phenomenon The approximate model has been shown to give results that are in good agreement with the full 2D PNP approach for the narrow and weakly charged pores considered in this work Pressure-induced rectification of salt flux has been put in evidence as a result of the broken symmetry of the fixed charge distribution on the pore walls. The model also elucidates that pressure-induced transport is controlled by different pore regions depending on the magnitude of the pressure difference across the nanopore The existence of an optimal pressure difference (i.e., leading to the highest salt rejection) has been put in evidence when there is a region within the nanopore that is more repulsive than the pore entrance with respect to a give!
n electrolyte. For moderate pressure differences, our results show that nanopores with bipolar charge distributions can lead to close rejections for both 2-1 and 1-2 asymmetric electrolytes. This is a specific property of bipolar nanopores because these performances cannot be obtained with homogeneously charged nanopores, which strongly reject electrolytes with divalent co-ions but are much more permeable to electrolytes with divalent counterions. This work benefits the design of nanoporous systems with targeted distribution of ionizable surface groups for advanced membrane separations.

Reprint Address:
Szymczyk, A, Univ Europeenne Bretagne, 5 Blvd Laennec, F-35000 Rennes, France.

Research Institution addresses:
[Szymczyk, Anthony; Zhu, Haochen] Univ Europeenne Bretagne, F-35000 Rennes, France; [Szymczyk, Anthony; Zhu, Haochen; Balannec, Beatrice] Univ Rennes 1, CNRS, UMR 6226, ENSCR, F-35042 Rennes, France

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Cited Reference Count:
56

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/jp1025575

IDS Number:
633RX

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

*Record 3 of 4.
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Title:
Water filling of hydrophilic nanopores

Authors:
de la Llave, E; Molinero, V; Scherlis, DA

Author Full Names:
de la Llave, Ezequiel; Molinero, Valeria; Scherlis, Damian A.

Source:
JOURNAL OF CHEMICAL PHYSICS 133 (3): Art. No. 034513 JUL 21 2010

Language:
English

Document Type:
Article

KeyWords Plus:
LIQUID-VAPOR OSCILLATIONS; ADSORPTION HYSTERESIS; MOLECULAR-DYNAMICS; MESOPOROUS SILICA; NEUTRON-SCATTERING; PHASE-EQUILIBRIA; MCM-41; SIMULATION; SORPTION; CARBON

Abstract:
Molecular dynamics simulations of water in cylindrical hydrophilic pores with diameters of 1.5 and 3 nm were performed to explore the phase behavior and the nucleation dynamics of the confined fluid as a function of the percentage of volume filled f. The interactions of water with the pore wall were considered to be identical to the interactions between water molecules. At low water contents, all the water is adsorbed to the surface of the pore. A second phase consisting of a liquid plug appears at the onset filling for capillary condensation, f(onset) =27% and 34% for the narrow and wide pores, respectively. In agreement with experimental results for silica pores, the liquid phase appears close to the equilibrium filling f(eq) in the 1.5 nm pore and under conditions of strong surface supersaturations for the 3 nm pore. After condensation, two phases, a liquid plug and a surface-adsorbed phase, coexist in equilibrium. Under conditions of phase coexistence, the water surface !
density Gamma(coex) was found to be independent of the water content and the diameter of the pore. The value of Gamma(coex) found in the simulations (similar to 3 nm(-2)) is in good agreement with experimental results for silica pores, suggesting that the interactions of water with silica and with itself are comparable. The surface-adsorbed phase at coexistence is a sparse monolayer with a structure dominated by small water clusters. We characterize the density and structure of the liquid and surface phases, the nucleation mechanism of the water plug, and the effect of surface hydrophilicity on the two-phase equilibrium and hysteresis. The results are discussed in light of experiments and previous simulations. (C) 2010 American Institute of Physics. [doi:10.1063/1.3462964]

Reprint Address:
Molinero, V, Univ Utah, Dept Chem, 315 South 1400 East, Salt Lake City, UT 84112 USA.

Research Institution addresses:
[Molinero, Valeria] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA; [de la Llave, Ezequiel; Scherlis, Damian A.] Univ Buenos Aires, Fac Ciencias Exactas & Nat, INQUIMAE, Dept Quim Inorgan Anal & Quim Fis, Buenos Aires, DF, Argentina

E-mail Address:
valeria.molinero@utah.edu; damian@qi.fcen.uba.ar

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Cited Reference Count:
46

Times Cited:
0

Publisher:
AMER INST PHYSICS; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA

Subject Category:
Physics, Atomic, Molecular & Chemical

ISSN:
0021-9606

DOI:
10.1063/1.3462964

IDS Number:
634QB

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

*Record 4 of 4.
*View Full Record: http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000280577200031
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Title:
Effect of Center-of-Mass Motion Removal in the Molecular Dynamics Simulations

Authors:
Wan, RZ; Li, SY; Fang, HP

Author Full Names:
Wan Rong-Zheng; Li Song-Yan; Fang Hai-Ping

Source:
CHINESE PHYSICS LETTERS 27 (8): Art. No. 084702 AUG 2010

Language:
English

Document Type:
Article

KeyWords Plus:
CARBON NANOTUBE MEMBRANES; WATER TRANSPORT; CHANNEL; CONDUCTION; SYSTEMS

Abstract:
Molecule dynamics simulation is now widely used in the study of nano pores, proteins and nano-scale devices. The limited friction in such a system requires the method of center-of-mass motion removal to be applied. We test the effect of different time period.. of this method under osmotic pressure difference, and find that the impact on the net flux is very small together with the effective reduction of the accumulated numerical error when the period.. is above 0.1 ps. The simulation results also show that the change of this time period of method has very little effect on the potential of mean force of the water inside the carbon nanotubes.

Reprint Address:
Fang, HP, Chinese Acad Sci, Shanghai Inst Appl Phys, POB 800-204, Shanghai 201800, Peoples R China.

Research Institution addresses:
[Wan Rong-Zheng; Li Song-Yan; Fang Hai-Ping] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; [Fang Hai-Ping] Chinese Acad Sci, TPCSF, Beijing 100049, Peoples R China

E-mail Address:
fanghaiping@sinap.ac.cn

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Cited Reference Count:
29

Times Cited:
0

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

Subject Category:
Physics, Multidisciplinary

ISSN:
0256-307X

DOI:
10.1088/0256-307X/27/8/084702

IDS Number:
634JN

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