Water on graphene surfaces

被引：57

作者：

Gordillo, M. C. ^{[1
]}

Marti, J. ^{[2
]}

机构：

[1] Univ Pablo Olavide, Dept Sistemas Fis Quim & Nat, Fac Ciencias Expt, E-41013 Seville, Spain

[2] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Catalonia, Spain

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2010年 / 22卷 / 28期

关键词：

MOLECULAR-DYNAMICS; LIQUID WATER; SUPERCRITICAL WATER; INFRARED-SPECTRA; ADSORPTION; INTERFACE; SIMULATION; PHASE; BEHAVIOR; MOTIONS;

D O I：

10.1088/0953-8984/22/28/284111

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside and outside of carbon nanotubes, and the confinement inside a slit pore or a single graphene sheet. We paid special attention to some thermodynamical (binding energies), structural (hydrogen-bond distributions) and dynamic (infrared spectra) properties, and their comparison to their bulk counterparts.

引用

页数：8

共 50 条

[21] Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Cole, Daniel J.
Payne, Mike C.
Ciacchi, Lucio Colombi
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (48) : 11395 - 11399
[22] Computer simulation of the structure and dynamics of water near metal surfaces
Spohr, E
SOLID-LIQUID ELECTROCHEMICAL INTERFACES, 1997, 656 : 31 - 44
[23] Heterogeneous Nucleation Mechanism of Potassium Iodide on Graphene Surface in Water
Chen, Yan-Nan
Liu, Yu-Zhen
Sun, Qiang
CRYSTALS, 2024, 14 (03)
[24] Structure of water clusters on graphene: A classical molecular dynamics approach
Maekawa, Yuki
Sasaoka, Kenji
Yamamoto, Takahiro
JAPANESE JOURNAL OF APPLIED PHYSICS, 2018, 57 (03)
[25] Interfacial Properties of Water on Hydrogenated and Fluorinated Graphene Surfaces: Parametrization of Nonbonded Interactions
Taqieddin, Amir
Heiranian, Mohammad
Aluru, Narayana R.
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (39) : 21467 - 21475
[26] Stress and surface tension analyses of water on graphene-coated copper surfaces
Chinh Thanh Nguyen
Kim, BoHung
INTERNATIONAL JOURNAL OF PRECISION ENGINEERING AND MANUFACTURING, 2016, 17 (04) : 503 - 510
[27] Surface forces in thin liquid films of n-alcohols and of water-ethanol mixtures confined between hydrophobic surfaces
Wang, Jialin
Li, Zuoli
Yoon, Roe-Hoan
Eriksson, Jan Christer
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2012, 379 : 114 - 120
[28] Effect of Octadecylamine Surfactant on DNA Interactions with Graphene Surfaces
Kim, Ho Shin
Brown, Nathanael A.
Zauscher, Stefan
Yingling, Yaroslava G.
LANGMUIR, 2020, 36 (04) : 931 - 938
[29] From Graphene Oxide to Graphene: Changes in Interfacial Water Structure and Reactivity Using Deep Neural Network Force Fields
Azom, Golam
Milet, Anne
David, Rolf
Kumar, Revati
JOURNAL OF PHYSICAL CHEMISTRY C, 2024, 128 (39) : 16437 - 16453
[30] Wetting transition of nanodroplets of water on textured surfaces: a molecular dynamics study
Khan, Sandip
Singh, Jayant K.
MOLECULAR SIMULATION, 2014, 40 (06) : 458 - 468

← 1 2 3 4 5 →