Wetting properties of passivated metal nanocrystals at liquid-vapor interfaces: A computer simulation study

被引：0

作者：

Tay, Kafui A. ^{[1
]}

Bresme, Fernando ^{[1
]}

机构：

[1] Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom

来源：

Journal of the American Chemical Society | 2006年 / 128卷 / 43期

关键词：

Molecular dynamics simulations have been employed to determine the contact angles of alkylthiol passivated gold nanocrystals adsorbed at the air-water interface. Simulations were performed using butane-; dodecane-; and octadecanethiol passivated nanoparticles. We demonstrate how the length of the surfactant chain can profoundly influence the wetting behavior of these nanoparticles. All particles were found to be stable at the air-water interface; possessing large; well-defined contact angles. We find that the shape of the dodecane- and octadecanethiol particles is strongly perturbed by the interface. We also present an analysis of the orientational ordering of water molecules at the dodecane-water interface and around butane- and dodecanethiol passivated nanoparticles. The orientational ordering translates into an electrostatic field around the nanoparticles; the magnitude of which corresponds with that of the water liquid-vapor interface. © 2006 American Chemical Society;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Journal article (JA)

引用

页码：14166 / 14175

共 50 条

[1] Wetting properties of passivated metal nanocrystals at liquid-vapor interfaces: A computer simulation study
Tay, Kafui A.
Bresme, Fernando
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (43) : 14166 - 14175
[2] Computer simulation of wetting and drying of spherical particulates at a liquid-vapor interface
Bresme, F
Quirke, N
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (07): : 3536 - 3547
[3] Computer simulation study of the wetting behavior and line tensions of nanometer size particulates at a liquid-vapor interface
Bresme, F
Quirke, N
PHYSICAL REVIEW LETTERS, 1998, 80 (17) : 3791 - 3794
[4] THE LIQUID-VAPOR WETTING LAYER
KWON, OD
BEAGLEHOLE, D
WEBB, WW
WIDOM, B
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1982, 183 (MAR): : 32 - COLL
[5] A COMPUTER-SIMULATION STUDY OF THE LIQUID-VAPOR COEXISTENCE CURVE OF WATER
GUISSANI, Y
GUILLOT, B
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (10): : 8221 - 8235
[6] A STUDY OF THE LIQUID-VAPOR INTERFACE OF MERCURY - COMPUTER-SIMULATION RESULTS
DEVELYN, MP
RICE, SA
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (08): : 5081 - 5095
[7] Computer simulation study of the local pressure in a spherical liquid-vapor interface
El Bardouni, H
Mareschal, M
Lovett, R
Baus, M
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (21): : 9804 - 9809
[8] First- and second-order wetting transitions at liquid-vapor interfaces
Koga, K.
Indekeu, J. O.
Widom, B.
FARADAY DISCUSSIONS, 2010, 146 : 217 - 222
[9] Capillary waves at liquid-vapor interfaces: A molecular dynamics simulation
Sides, SW
Grest, GS
Lacasse, MD
PHYSICAL REVIEW E, 1999, 60 (06) : 6708 - 6713
[10] A molecular dynamics study on transport properties and structure at the liquid-vapor interfaces of alkanes
Chilukoti, Hari Krishna
Kikugawa, Gota
Ohara, Taku
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2013, 59 : 144 - 154

← 1 2 3 4 5 →