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Organic Electrochromic Materials
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Organic Electrochromic Materials

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

Deadline for manuscript submissions: closed (31 January 2018) | Viewed by 27338

Special Issue Editors

Prof. Dr. Luca Beverina

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

E-Mail Website
Guest Editor
Department of Materials Science of the University of Milano-Bicocca, Milano, Italy
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

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Keywords

  • Conjugated polymers

  • viologens

  • Electrochromism

  • solid state devices

  • flexible devices

  • Camouflage

  • smart windows

  • Shading applications

  • R2R processing

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Published Papers (4 papers)

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Research

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10 pages, 2203 KiB  
Article
Ferrocene Molecular Architectures Grafted on Si(111): A Theoretical Calculation of the Standard Oxidation Potentials and Electron Transfer Rate Constant
by Claudio Fontanesi, Massimo Innocenti, Davide Vanossi and Enrico Da Como
Materials 2017, 10(10), 1109; https://doi.org/10.3390/ma10101109 - 21 Sep 2017
Cited by 2 | Viewed by 4146
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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10 pages, 1895 KiB  
Article
Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems
by Bruna Clara De Simone, Gloria Mazzone, Tiziana Marino, Nino Russo and Marirosa Toscano
Materials 2017, 10(9), 981; https://doi.org/10.3390/ma10090981 - 23 Aug 2017
Cited by 7 | Viewed by 3607
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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14 pages, 2337 KiB  
Article
An Integrated Theoretical/Experimental Study of Quinolinic–Isoquinolinic Derivatives Acting as Reversible Electrochromes
by Mauro Sassi, Matteo M. Salamone, Luca Beverina, Gianluca Longoni, Claudio Fontanesi, Davide Vanossi, Luigi Cigarini and Riccardo Ruffo
Materials 2017, 10(7), 802; https://doi.org/10.3390/ma10070802 - 15 Jul 2017
Viewed by 3757
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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Review

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27 pages, 7728 KiB  
Review
All-in-One Gel-Based Electrochromic Devices: Strengths and Recent Developments
by Yolanda Alesanco, Ana Viñuales, Javier Rodriguez and Ramón Tena-Zaera
Materials 2018, 11(3), 414; https://doi.org/10.3390/ma11030414 - 10 Mar 2018
Cited by 101 | Viewed by 14572
Abstract
Electrochromic devices (ECDs) have aroused great interest because of their potential applicability in displays and smart systems, including windows, rearview mirrors, and helmet visors. In the last decades, different device structures and materials have been proposed to meet the requirements of commercial applications [...] Read more.
Electrochromic devices (ECDs) have aroused great interest because of their potential applicability in displays and smart systems, including windows, rearview mirrors, and helmet visors. In the last decades, different device structures and materials have been proposed to meet the requirements of commercial applications to boost market entry. To this end, employing simple device architectures and achieving a competitive electrolyte are crucial to accomplish easily implementable, high-performance ECDs. The present review outlines devices comprising gel electrolytes as a single electroactive layer (“all-in-one”) ECD architecture, highlighting some advantages and opportunities they offer over other electrochromic systems. In this context, gel electrolytes not only overcome the drawbacks of liquid and solid electrolytes, such as liquid’s low chemical stability and risk of leaking and soil’s slow switching and lack of transparency, but also exhibit further strengths. These include easier processability, suitability for flexible substrates, and improved stabilization of the chemical species involved in redox processes, leading to better cyclability and opening wide possibilities to extend the electrochromic color palette, as discussed herein. Finally, conclusions and outlook are provided. Full article
(This article belongs to the Special Issue Organic Electrochromic Materials)
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