Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores
| العنوان: | Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores |
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| المؤلفون: | Sergi Ruiz-Barragan, Dominik Marx, Daniel Muñoz-Santiburcio, Saskia Körning |
| المصدر: | Physical Chemistry Chemical Physics. 22:10833-10837 |
| بيانات النشر: | Royal Society of Chemistry (RSC), 2020. |
| سنة النشر: | 2020 |
| مصطلحات موضوعية: | Materials science, Graphene, Bilayer, Physics::Optics, General Physics and Astronomy, 02 engineering and technology, Dielectric, 021001 nanoscience & nanotechnology, 01 natural sciences, law.invention, Molecular dynamics, law, Chemical physics, 0103 physical sciences, Monolayer, Perpendicular, Nanometre, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology, Anisotropy |
| الوصف: | Water presents puzzling properties once it gets confined down to the scale below about one nanometer, in particular its dielectric response becomes highly anisotropic in inhomogeneous environments such as slit pores. Here, we analyze the dielectric response of water within graphene slit pores in different confinement regimes based on molecular dynamics simulations. Our data quantify how the distinctly different parallel (in-plane) and perpendicular (out-of-plane) dielectric profiles change upon two-dimensional confinement from wide pores - featuring bulk-like behavior in between typical interfacial water layers - down to the water bilayer and monolayer limit. In addition, we show that simulating water in such narrow pores requires specific water-graphene interaction parameters different from those usually employed for interfaces. |
| تدمد: | 1463-9084 1463-9076 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4af16b963a0cc9bb3fa46d3da3151748 https://doi.org/10.1039/d0cp00916d |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi.dedup.....4af16b963a0cc9bb3fa46d3da3151748 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 14639084 14639076 |
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