Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores

Literature Information

Publication Date 2020-04-27
DOI 10.1039/D0CP00916D
Impact Factor 3.676
Authors

Sergi Ruiz-Barragan, Saskia Körning, Dominik Marx


View Original

Abstract

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

2008-04-11 Communication

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

2008-06-02 Communication

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

2008-05-07 Communication

DOI: 10.1039/B804797A

Inside front cover

Front/Back Matter

DOI: 10.1039/B809326C

Gold-catalysed intramolecular trans-allylsilylation of alkynes forming 3-allyl-1-silaindenes

Takanori Matsuda, Sho Kadowaki, Yoshiyuki Yamaguchi, Masahiro Murakami

2008-05-20 Communication

DOI: 10.1039/B804721A

Front cover

Cover

DOI: 10.1039/B614029G

Gold(i)-catalyzed intramolecular hydroamination of unactivated CC bonds with alkylammonium salts

Christopher F. Bender, Ross A. Widenhoefer

2008-05-19 Communication

DOI: 10.1039/B804081H

Ruthenium–indenylidene complexes: powerful tools for metathesis transformations

Fabien Boeda, Hervé Clavier, Steven P. Nolan

2008-05-20 Feature Article

DOI: 10.1039/B718287B

Polysilane-supported Pd and Pt nanoparticles as efficient catalysts for organic synthesis

Hidekazu Oyamada, Ryo Akiyama, Hiroyuki Hagio, Takeshi Naito, Shū Kobayashi

2006-09-05 Communication

DOI: 10.1039/B610241G

You might also like

Compound Q&A

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...

333338-18-44-Nitrophenyl phosph...
Compound Q&A

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 ...

1060816-01-42-(Trifluoromethyl)-...
Compound Q&A

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...

137045-30-82-Fluoro-4-biphenylc...
Compound Q&A

What industries use Prednisolone-21-Carboxylic Acid (CAS: 61549-70-0)?

Prednisolone-21-Carboxylic Acid is primarily used in the pharmaceutical industry...

61549-70-0Prednisolone-21-Carb...
Compound Q&A

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...

3614-72-04-(Hydrazinomethyl)-...
Compound Q&A

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...

92534-70-84-Amino-1-methyl-1H-...
Compound Q&A

What regulatory guidelines apply to dehydropachymic acid (CAS: 77012-31-8)?

Dehydropachymic acid (CAS: 77012-31-8) is regulated by various agencies. It fall...

77012-31-8Dehydropachymic acid
Compound Q&A

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...

898561-66-56-[(2,2-Dimethylprop...
Compound Q&A

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...

57709-62-31,10-Phenanthroline-...
Compound Q&A

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...

113952-21-95-Carbamoyl-11-oxo-1...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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.

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.