The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
What Is the Contact Angle of Water on Graphene?
Abstract
Although experimental and theoretical studies have addressed the question of the wetting properties of graphene, the actual value of the contact angle of water on an isolated graphene monolayer remains unknown. While recent experimental literature indicates that the contact angle of water on graphite is in the range 90-95°, it has been suggested that the contact angle on graphene may either be as high as 127° or moderately enhanced in comparison with graphite. With the support of classical molecular dynamics simulations using empirical force-fields, we develop an argumentation to show that the value of 127° is an unrealistic estimate and that a value of the order of 95-100° should be expected. Our study establishes a connection between the variation of the work of adhesion of water on graphene-based surfaces and the interaction potential between individual water molecules and these surfaces. We show that a variation of the contact angle from 90° on graphite to 127° on graphene would imply that both of the first two carbon layers of graphite contribute approximately the same interaction energy with water. Such a situation is incompatible with the short-range nature of the interaction between water and this substrate. We also show that the interaction potential energy between water and the graphene-based substrates is the main contribution to the work of adhesion of water with a relative magnitude that is independent of the number of graphene layers. We introduce the idea that the remaining contribution is entropic in nature and is connected to the fluctuations in the water-substrate interaction energy.
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Cites
A smooth particle mesh Ewald method
Essmann, U., Perera, L., Berkowitz, M. L., Darden, T., Lee, H., & Pedersen, L. G. (1995) · The Journal of Chemical Physics · doi:10.1063/1.470117 · Cited by 22,514
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Hess, B., Kutzner, C., van der Spoel, D., & Lindahl, E. (2008) · Journal of Chemical Theory and Computation · doi:10.1021/ct700301q · Cited by 15,908
The missing term in effective pair potentials
Berendsen, H. J. C., Grigera, J. R., & Straatsma, T. P. (1987) · The Journal of Physical Chemistry · doi:10.1021/j100308a038 · Cited by 13,345
III. An essay on the cohesion of fluids
Young, T. (1805) · Philosophical Transactions of the Royal Society of London · doi:10.1098/rstl.1805.0005 · Cited by 6,643
Role of repulsive forces in determining the equilibrium structure of simple liquids
Weeks, J. D., Chandler, D., & Andersen, H. C. (1971) · The Journal of Chemical Physics · doi:10.1063/1.1674820 · Cited by 5,207
Interfaces and the driving force of hydrophobic assembly
Chandler, D. (2005) · Nature · doi:10.1038/nature04162 · Cited by 3,591
Graphene/Polymer Nanocomposites
Kim, H., Abdala, A. A., & Macosko, C. W. (2010) · Macromolecules · doi:10.1021/ma100572e · Cited by 3,406
Water Desalination across Nanoporous Graphene
Cohen-Tanugi, D., & Grossman, J. C. (2012) · Nano Letters · doi:10.1021/nl3012853 · Cited by 2,204
Werder, T., Walther, J. H., Jaffe, R. L., Halicioglu, T., & Koumoutsakos, P. (2003) · The Journal of Physical Chemistry B · doi:10.1021/jp0268112 · Cited by 1,317
The Lowest Surface Free Energy Based on −CF3 Alignment
Nishino, T., Meguro, M., Nakamae, K., Matsushita, M., & Ueda, Y. (1999) · Langmuir · doi:10.1021/la981727s · Cited by 1,206
Wetting transparency of graphene
Rafiee, J., Mi, X., Gullapalli, H., Thomas, A. V., Yavari, F., Shi, Y., Ajayan, P. M., & Koratkar, N. A. (2012) · Nature Materials · doi:10.1038/nmat3228 · Cited by 1,119
Wettability and Surface Free Energy of Graphene Films
Wang, S., Zhang, Y., Abidi, N., & Cabrales, L. (2009) · Langmuir · doi:10.1021/la901402f · Cited by 1,019
Surface tension of the most popular models of water by using the test-area simulation method
Vega, C., & de Miguel, E. (2007) · The Journal of Chemical Physics · doi:10.1063/1.2715577 · Cited by 825
Soft contact: measurement and interpretation of contact angles
Marmur, A. (2006) · Soft Matter · doi:10.1039/b514811c · Cited by 530
Molecular Simulation of Water in Carbon Nanotubes
Alexiadis, A., & Kassinos, S. (2008) · Chemical Reviews · doi:10.1021/cr078140f · Cited by 514
Surface-Energy Engineering of Graphene
Shin, Y. J., Wang, Y., Huang, H., Kalon, G., Wee, A. T. S., Shen, Z., Bhatia, C. S., & Yang, H. (2010) · Langmuir · doi:10.1021/la100231u · Cited by 462
Surface and Interfacial Forces
Butt, H., & Kappl, M. (2010) · Wiley eBooks · doi:10.1002/9783527629411 · Cited by 435
A thermodynamic analysis of solvation
Yu, H., & Karplus, M. (1988) · The Journal of Chemical Physics · doi:10.1063/1.455080 · Cited by 357
Godawat, R., Jamadagni, S. N., & Garde, S. (2009) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0902778106 · Cited by 357
Li, H., & Zeng, X. C. (2012) · ACS Nano · doi:10.1021/nn204661d · Cited by 268
Daoulas, K. C., Harmandaris, V. A., & Mavrantzas, V. G. (2005) · Macromolecules · doi:10.1021/ma050176r · Cited by 202
The Microscopic Structure of Adsorbed Water on Hydrophobic Surfaces under Ambient Conditions
Cao, P., Xu, K., Varghese, J. O., & Heath, J. R. (2011) · Nano Letters · doi:10.1021/nl2036639 · Cited by 163
Ambrosetti, A., & Silvestrelli, P. L. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp110669p · Cited by 121
Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation
Grzelak, E. M., & Errington, J. R. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2812285 · Cited by 98
Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions
Binder, K., Blöck, B., Das, S. K., Virnau, P., & Winter, D. (2011) · Journal of Statistical Physics · doi:10.1007/s10955-011-0226-7 · Cited by 69
Ben-Naim, A. Y. (1978) · The Journal of Physical Chemistry · doi:10.1021/j100497a007 · Cited by 51
Metastable Sessile Nanodroplets on Nanopatterned Surfaces
Ritchie, J. A., Seyed‐Yazdi, J., Bratko, D., & Luzar, A. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp300166h · Cited by 50
Cited by
Graphene-based nanomaterials for drug delivery and tissue engineering
Goenka, S., Sant, V., & Sant, S. (2014) · Journal of Controlled Release · doi:10.1016/j.jconrel.2013.10.017 · Cited by 1,311
Remediation of wastewater using various nano-materials
Anjum, M., Miandad, R., Waqas, M., Gehany, F., & Barakat, M. A. (2019) · Arabian Journal of Chemistry · doi:10.1016/j.arabjc.2016.10.004 · Cited by 779
Wetting translucency of graphene
Shih, C.-J., Strano, M. S., & Blankschtein, D. (2013) · Nature Materials · doi:10.1038/nmat3760 · Cited by 277
Metadata
- Authors
- Taherian, F., Marcon, V., van der Vegt, N. F. A., & Leroy, F.
- Venue
- Langmuir
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-01-24
- Volume
- 29
- Issue
- 5
- Pages
- 1457-1465
- ISSN
- 0743-7463 (ISSN-L)
- 1520-5827
- OpenAlex
- W1984961901
- Cited by
- 502
- References
- 27
- FWCI
- 16.87
- Type
- journal article
- Language
- en
- Open access
- closed
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