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Special Issue "Organic Electrochromic Materials"

A special issue of Materials (ISSN 1996-1944).

Deadline for manuscript submissions: 30 November 2017

Special Issue Editors

Guest Editor
Prof. Luca Beverina

Department of Materials Science of the University of Milano-Bicocca
Website | E-Mail
Interests: heteroaromatics; solar cells; dyes and pigments; electrochromic devices; fluorescence imaging; formulation chemistry
Guest Editor
Dr. Mauro Sassi

Department of Materials Science of the University of Milano-Bicocca
Website | E-Mail
Interests: heteroaromatics; solar cells; dyes and pigments; electrochromic devices; fluorescence imaging; formulation chemistry

Special Issue Information

Dear Colleagues,

Electrochromic devices, based on inorganic materials, are a consolidated market reality, with applications ranging from smart windows, and automotive, sunglasses to displays. However, the poor applicability of such materials on flexible substrates, as well as the relatively high production costs involved, prompted a lasting interest in alternative solutions. Indeed, the subject of organic electrochromic materials has been constantly gaining interest over the last two decades. Alongside well-established applications like smart windows, sunglasses, and displays, new and very fascinating applications like adaptive camouflage are now appearing. The field is rapidly evolving towards mature technological applications, as it is endorsed by the appearance of the first commercially available devices on the market. However, at the same time, research also remains very active in developing new concepts, from the standpoint of innovative materials design. Indeed, the field has greatly evolved, forming its offspring with PEDOT or simple viologen. To give one example, one of the most popular concepts in modern conjugated polymers design, the Donor–Acceptor structure, gained relevant attention for its electrochromic applications prior to becoming widespread, employed in high conversion efficiency solar cells. Due to the relevance of the topic within the conjugated materials community, contributions are sought for a Special Issue of Metals, highlighting both the state-of-the-art of near-market devices, as well as frontiers of new concept in the design of new materials: Polymeric, molecular, and hybrid.

Prof. Luca Beverina
Dr. Mauro Sassi
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Conjugated polymers
  • viologens
  • Electrochromism
  • solid state devices
  • flexible devices
  • Camouflage
  • smart windows
  • Shading applications
  • R2R processing

Published Papers (3 papers)

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Research

Open AccessFeature PaperArticle Ferrocene Molecular Architectures Grafted on Si(111): A Theoretical Calculation of the Standard Oxidation Potentials and Electron Transfer Rate Constant
Materials 2017, 10(10), 1109; doi:10.3390/ma10101109
Received: 5 August 2017 / Revised: 15 September 2017 / Accepted: 18 September 2017 / Published: 21 September 2017
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Abstract
The standard oxidation potential and the electron transfer (ET) rate constants of two silicon-based hybrid interfaces, Si(111)/organic-spacer/Ferrocene, are theoretically calculated and assessed. The dynamics of the electrochemical driven ET process is modeled in terms of the classical donor/acceptor scheme within the framework of
[...] Read more.
The standard oxidation potential and the electron transfer (ET) rate constants of two silicon-based hybrid interfaces, Si(111)/organic-spacer/Ferrocene, are theoretically calculated and assessed. The dynamics of the electrochemical driven ET process is modeled in terms of the classical donor/acceptor scheme within the framework of “Marcus theory”. The ET rate constants, k E T , are determined following calculation of the electron transfer matrix element, V R P , together with the knowledge of the energy of the neutral and charge separated systems. The recently introduced Constrained Density Functional Theory (CDFT) method is exploited to optimize the structure and determine the energy of the charge separated species. Calculated ET rate constants are k E T = 77.8 s 1 and k E T = 1.3 × 10 9 s 1 , in the case of the short and long organic-spacer, respectively. Full article
(This article belongs to the Special Issue Organic Electrochromic Materials)
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Open AccessFeature PaperArticle Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems
Materials 2017, 10(9), 981; doi:10.3390/ma10090981
Received: 19 July 2017 / Revised: 15 August 2017 / Accepted: 22 August 2017 / Published: 23 August 2017
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Abstract
The importance of organic electrochromic materials has grown considerably in recent decades due to their application in smart window, automotive, and aircraft technologies. Theoretical prediction of the optical properties should contribute to their better characterization and help the explanation of the experimental data.
[...] Read more.
The importance of organic electrochromic materials has grown considerably in recent decades due to their application in smart window, automotive, and aircraft technologies. Theoretical prediction of the optical properties should contribute to their better characterization and help the explanation of the experimental data. By using various exchange–correlation functionals, we show how density functional theory (DFT) and the related time-dependent formulation (TDDFT) are able to correctly reproduce the spectrochemical properties of dithiolodithiole and thiophene organic electrochromic systems. Full article
(This article belongs to the Special Issue Organic Electrochromic Materials)
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Open AccessFeature PaperArticle An Integrated Theoretical/Experimental Study of Quinolinic–Isoquinolinic Derivatives Acting as Reversible Electrochromes
Materials 2017, 10(7), 802; doi:10.3390/ma10070802
Received: 15 June 2017 / Revised: 11 July 2017 / Accepted: 11 July 2017 / Published: 15 July 2017
PDF Full-text (2337 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
A series of compounds, featuring an ethenylic bridge and quinoline and isoquinoline end capping units possessing systematically varied substitution patterns, were prepared as molecular materials for electrochromic applications. The different structures were optimized in order to maximize the electrochromic contrast in the visible
[...] Read more.
A series of compounds, featuring an ethenylic bridge and quinoline and isoquinoline end capping units possessing systematically varied substitution patterns, were prepared as molecular materials for electrochromic applications. The different structures were optimized in order to maximize the electrochromic contrast in the visible region, mostly by achieving a completely UV-absorbing oxidized state. Density functional theory (DFT) calculations are exploited in order to rationalize the correlation between the molecular structure, the functional groups’ electronic properties, and the electrochemical behavior. It is shown that the molecular planarity (i.e. ring/ring π conjugation) plays a major role in defining the mechanism of the electrochemical charge transfer reaction, while the substituent’s nature has an influence on the LUMO energy. Among the compounds here studied, the (E)-10-methyl-9-(2-(2-methylisoquinolinium-1-yl)-vinyl)-1,2,3,4-tetrahydroacri-dinium trifluoromethanesulfonate derivative shows the most interesting properties as an electrochromophore. Full article
(This article belongs to the Special Issue Organic Electrochromic Materials)
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Figure 1

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