NDLI: Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach

Please wait, while we are loading the content...

Soft Matter Vol -13

Soft Matter Vol -9

Soft Matter Vol - 9 Issue - 48

Front cover

Inside front cover

Contents list

Elucidating silk structure using solid-state NMR

Thermoresponsive polymer-based magneto-rheological (MR) composites as a bridge between MR fluids and MR elastomers

Amyloid fibril formation by pepsin in neutral pH at room temperature

Topological defects of tetratic liquid-crystal order on a soft spherical surface

Evolutionary pattern design for copolymer directed self-assembly

Probing the role of interfacial rheology in the relaxation behaviour between deformable oil droplets using force spectroscopy

The cage elasticity and under-field structure of concentrated magnetic colloids probed by small angle X-ray scattering

Elastic properties of cells in the context of confluent cell monolayers: impact of tension and surface area regulation

AOT microemulsions: droplet size and clustering in the temperature range between the supercooled state and the upper phase boundary

Clustered copper nanorod arrays: a new class of adhesive hydrophobic materials

Structure and thermodynamics of ssDNA oligomers near hydrophobic and hydrophilic surfaces

Influence of temperature on the gel electrophoresis of a pH-regulated, zwitterionic sphere

Packing DNA with disc-shaped bicelles

Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamics

Phase behavior of binary mixtures of hard convex polyhedra

Elasticity and rigidity percolation in flexible carbon nanotube films on PDMS substrates

Light-induced transformation of vesicles to micelles and vesicle-gels to sols

Unusual phase transition mechanism of poly(ethylene oxide) in an ionic liquid: opposite frequency shifts in C–H groups

Effect of nano-patterning on oleophobic properties of a surface

Spherical polyelectrolyte brushes' constant zeta potential with varying ionic strength: an electrophoretic study using a hairy layer approach

Expansion of charged colloids after centrifugation: formation and crystallisation of long-range repulsive glasses

Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach

Reciprocal effects of the chirality and the surface functionalization on the drug delivery permissibility of carbon nanotubes

Structural evolution of colloidal gels at intermediate volume fraction under start-up of shear flow

Shape transformations of bilayer vesicles from amphiphilic block copolymers: a dissipative particle dynamics simulation study

Flow in channels with superhydrophobic trapezoidal textures

Probing substrate effects on relaxation dynamics of ultrathin poly(vinyl acetate) films by dynamic wetting of water droplets on their surfaces

Study of viscoelastic properties of magnetic nanofluids: an insight into their internal structure

Triggered formation of thixotropic hydrogels by balancing competitive supramolecular synthons

Additions and Corrections ( Soft Matter Vol - 9 Issue - 48 )

Back cover

Soft Matter Vol - 9 Issue - 39

Soft Matter Vol - 9 Issue - 29

Soft Matter Vol - 9 Issue - 19

Soft Matter Vol - 9 Issue - 9

Soft Matter Vol - 9 Issue - 8

Soft Matter Vol - 9 Issue - 7

Soft Matter Vol - 9 Issue - 6

Soft Matter Vol - 9 Issue - 5

Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach

Content Provider	Royal Society of Chemistry (RSC)
Author	Zanuy, David Alemán, Carlos
Copyright Year	2013
Abstract	Poly(3,4-ethylenedioxythiophene), abbreviated PEDOT, is one of the most outstanding electroactive polymers, whose applications cover a wide range of fields from biomedicine to electronic components. In this work the physicochemical properties of nanoconstructs obtained by growing PEDOT chains over steel surfaces are investigated. The structural features of such nanostructures, which had successfully been used to build supercapacitors, are investigated, revealing that the polymeric phase plays a key role in the charge accumulation process. The ultra-structure organization and dynamics of these constructs are explored by molecular simulations and the results are compared with the available experimental data. The outcome of this investigation has offered a detailed vision of the structural features that lead to an extraordinarily efficient charge accumulation. Atomistic models generated using stochastic methods had provided different distributions of polymer chains over a metallic surface. Molecular dynamics simulations performed on such models have demonstrated that the extraordinary capacity for charge accumulation stems from a thin balance between the electrostatic repulsion that polymer chains exercise to each other and the attraction that the counterions present in the electropolymerization exert on those oxidized PEDOT chains. This situation favors the aggregation of the PEDOT chains mediated by the perchlorate ions, which act over them as inter-chain cement and which leads to regular three dimensional organization of chains, regardless of their initial distribution over the metallic surface. At the same time, such inner proximity of the polymer chains when growing upwards forces the capture of perchlorate ions, acting as accumulated charges that could be further released if the PEDOT oxidation state is externally reversed.
Starting Page	11634
Ending Page	11644
Page Count	11
File Format	HTM / HTML PDF
ISSN	1744683X
Volume Number	9
Issue Number	48
Journal	Soft Matter
DOI	10.1039/c3sm52477a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Electroactive polymers Perchlorate Nanoarchitectures for lithium-ion batteries PEDOT Biomedicine Poly(3,4-ethylenedioxythiophene) Molecular dynamics Polymer Stochastic
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Electroactive poly(sulfobetaine-3,4-ethylenedioxythiophene) (PSBEDOT) with controllable antifouling and antimicrobial properties

Long-lived solid state perchlorate ion selective sensor based on doped poly(3,4-ethylenedioxythiophene) (PEDOT) films

Preparation and evaluation of a novel solid-phase microextraction fiber based on poly(3,4-ethylenedioxythiophene) for the analysis of OCPs in water

Electrochemical studies of poly (3,4-ethylenedioxythiophene) PEDOT/VS2 nanocomposite as a cathode material for rechargeable lithium batteries

Polymer-based tubular microbots: role of composition and preparation

Poly (3,4-Ethylenedioxythiophene) for Chronic Neural Stimulation

Poly(3,4-ethylenedioxythiophene) (PEDOT) Derivatives: Innovative Conductive Polymers for Bioelectronics

Tuning thermoelectric performance of Poly(3,4-ethylenedioxythiophene): Poly (styrene sulfonate)/Polyaniline composite films by nanostructure evolution of polyaniline

Reactions Mediated by the Conducting Polymer Poly-(3,4-ethylenedioxythiophene) (PEDOT)

Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach

Similar Documents

Electroactive poly(sulfobetaine-3,4-ethylenedioxythiophene) (PSBEDOT) with controllable antifouling and antimicrobial properties

Long-lived solid state perchlorate ion selective sensor based on doped poly(3,4-ethylenedioxythiophene) (PEDOT) films

Preparation and evaluation of a novel solid-phase microextraction fiber based on poly(3,4-ethylenedioxythiophene) for the analysis of OCPs in water

Electrochemical studies of poly (3,4-ethylenedioxythiophene) PEDOT/VS2 nanocomposite as a cathode material for rechargeable lithium batteries

Polymer-based tubular microbots: role of composition and preparation

Poly (3,4-Ethylenedioxythiophene) for Chronic Neural Stimulation

Poly(3,4-ethylenedioxythiophene) (PEDOT) Derivatives: Innovative Conductive Polymers for Bioelectronics

Tuning thermoelectric performance of Poly(3,4-ethylenedioxythiophene): Poly (styrene sulfonate)/Polyaniline composite films by nanostructure evolution of polyaniline

Reactions Mediated by the Conducting Polymer Poly-(3,4-ethylenedioxythiophene) (PEDOT)

Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach