Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores
Literature Information
Sergi Ruiz-Barragan, Saskia Körning, Dominik Marx
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.
Related Literature
Azacalix[4]arene cation radicals: spin-delocalised doublet- and triplet-ground states observed in the macrocyclic m-phenylene system connected with nitrogen atoms
Koichi Ishibashi, Hirohito Tsue, Naoko Sakai, Satoshi Tokita, Kazuhiro Matsui, Jun Yamauchi, Rui Tamura
DOI: 10.1039/B801127C
A versatile protocol for Stille–Migita cross coupling reactions‡
Alois Fürstner, Jacques-Alexis Funel, Martin Tremblay, Laure C. Bouchez, Cristina Nevado, Mario Waser, Jens Ackerstaff, Christopher C. Stimson
DOI: 10.1039/B805299A
Surface modification of gold nanorods through a place exchange reaction inside an ionic exchange resin
Qiu Dai, Janelle Coutts, Jianhua Zou, Qun Huo
DOI: 10.1039/B804797A
Gold-catalysed intramolecular trans-allylsilylation of alkynes forming 3-allyl-1-silaindenes
Takanori Matsuda, Sho Kadowaki, Yoshiyuki Yamaguchi, Masahiro Murakami
DOI: 10.1039/B804721A
Gold(i)-catalyzed intramolecular hydroamination of unactivated CC bonds with alkylammonium salts
Christopher F. Bender, Ross A. Widenhoefer
DOI: 10.1039/B804081H
Ruthenium–indenylidene complexes: powerful tools for metathesis transformations
Fabien Boeda, Hervé Clavier, Steven P. Nolan
DOI: 10.1039/B718287B
Annulation of β-aryl-α-nitro-α,β-enals and 2,2-dimethyl-1,3-dioxan-5-one: a one-step assembly of nitrocyclitols. Application to a short practical synthesis of (±)-7-deoxy-2-epi-pancratistatin tetraacetate
Juan Carlos Ortiz, Lidia Ozores, Fernando Cagide-Fagín, Ricardo Alonso
DOI: 10.1039/B606277F
Polysilane-supported Pd and Pt nanoparticles as efficient catalysts for organic synthesis
Hidekazu Oyamada, Ryo Akiyama, Hiroyuki Hagio, Takeshi Naito, Shū Kobayashi
DOI: 10.1039/B610241G
You might also like
What are the main uses of 4-Nitrophenyl phosphate disodium salt hexahydrate (CAS: 333338-18-4)?
4-Nitrophenyl phosphate disodium salt hexahydrate is primarily used as a substra...
What are the main uses of 2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4)?
2-(Trifluoromethyl)-1,3-oxazole-4-carboxylic Acid (CAS: 1060816-01-4) is widely ...
How should 2-Fluoro-4-biphenylcarboxylic acid (CAS: 137045-30-8) be stored?
2-Fluoro-4-biphenylcarboxylic acid should be stored in a cool, dry place at room...
What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?
Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...
How should 4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) be stored?
4-(Hydrazinomethyl)-1,2,3-benzenetriol (CAS: 3614-72-0) should be stored in a co...
What industries use 4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8)?
4-Amino-1-methyl-1H-pyrazole-5-carboxylic acid hydrochloride (CAS: 92534-70-8) i...
What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?
Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...
What is the market or research trend for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic acid (CAS: 898561-66-5)?
The market and research trends for 6-[(2,2-Dimethylpropanoyl)amino]nicotinic aci...
How should 1,10-Phenanthroline-2,9-dicarbaldehyde (CAS: 57709-62-3) be stored?
1,10-Phenanthroline-2,9-dicarbaldehyde should be stored in a cool, dry place awa...
How is 5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate (CAS: 113952-21-9) typically synthesized?
5-Carbamoyl-11-oxo-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl acetate can be synt...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













![(2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure (2E)-3-(3-Chlorophenyl)-N-{2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl}acrylamide structure](https://static.chemtradehub.com/structs/250/2505001-54-5-c1e9.webp)
