IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v14y2023i1d10.1038_s41467-023-39215-9.html
   My bibliography  Save this article

Water binding and hygroscopicity in π-conjugated polyelectrolytes

Author

Listed:
  • Cindy Guanyu Tang

    (National University of Singapore)

  • Mazlan Nur Syafiqah

    (National University of Singapore)

  • Qi-Mian Koh

    (National University of Singapore)

  • Mervin Chun-Yi Ang

    (National University of Singapore)

  • Kim-Kian Choo

    (National University of Singapore)

  • Ming-Ming Sun

    (National University of Singapore)

  • Martin Callsen

    (National University of Singapore)

  • Yuan-Ping Feng

    (National University of Singapore)

  • Lay-Lay Chua

    (National University of Singapore)

  • Rui-Qi Png

    (National University of Singapore)

  • Peter K. H. Ho

    (National University of Singapore)

Abstract

The presence of water strongly influences structure, dynamics and properties of ion-containing soft matter. Yet, the hydration of such matter is not well understood. Here, we show through a large study of monovalent π-conjugated polyelectrolytes that their reversible hydration, up to several water molecules per ion pair, occurs chiefly at the interface between the ion clusters and the hydrophobic matrix without disrupting ion packing. This establishes the appropriate model to be surface hydration, not the often-assumed internal hydration of the ion clusters. Through detailed analysis of desorption energies and O–H vibrational frequencies, together with OPLS4 and DFT calculations, we have elucidated key binding motifs of the sorbed water. Type-I water, which desorbs below 50 °C, corresponds to hydrogen-bonded water clusters constituting secondary hydration. Type-II water, which typically desorbs over 50–150 °C, corresponds to water bound to the anion under the influence of a proximal cation, or to a cation‒anion pair, at the cluster surface. This constitutes primary hydration. Type-III water, which irreversibly desorbs beyond 150 °C, corresponds to water kinetically trapped between ions. Its amount varies strongly with processing and heat treatment. As a consequence, hygroscopicity—which is the water sorption capacity per ion pair—depends not only on the ions, but also their cluster morphology.

Suggested Citation

  • Cindy Guanyu Tang & Mazlan Nur Syafiqah & Qi-Mian Koh & Mervin Chun-Yi Ang & Kim-Kian Choo & Ming-Ming Sun & Martin Callsen & Yuan-Ping Feng & Lay-Lay Chua & Rui-Qi Png & Peter K. H. Ho, 2023. "Water binding and hygroscopicity in π-conjugated polyelectrolytes," Nature Communications, Nature, vol. 14(1), pages 1-14, December.
  • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-39215-9
    DOI: 10.1038/s41467-023-39215-9
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-023-39215-9
    File Function: Abstract
    Download Restriction: no

    File URL: https://libkey.io/10.1038/s41467-023-39215-9?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    References listed on IDEAS

    as
    1. Cindy G. Tang & Mervin C. Y. Ang & Kim-Kian Choo & Venu Keerthi & Jun-Kai Tan & Mazlan Nur Syafiqah & Thomas Kugler & Jeremy H. Burroughes & Rui-Qi Png & Lay-Lay Chua & Peter K. H. Ho, 2016. "Doped polymer semiconductors with ultrahigh and ultralow work functions for ohmic contacts," Nature, Nature, vol. 539(7630), pages 536-540, November.
    2. Snehashis Choudhury & Sanjuna Stalin & Duylinh Vu & Alexander Warren & Yue Deng & Prayag Biswal & Lynden A. Archer, 2019. "Solid-state polymer electrolytes for high-performance lithium metal batteries," Nature Communications, Nature, vol. 10(1), pages 1-8, December.
    3. Cindy G. Tang & Mazlan Nur Syafiqah & Qi-Mian Koh & Chao Zhao & Jamal Zaini & Qiu-Jing Seah & Michael J. Cass & Martin J. Humphries & Ilaria Grizzi & Jeremy H. Burroughes & Rui-Qi Png & Lay-Lay Chua &, 2019. "Multivalent anions as universal latent electron donors," Nature, Nature, vol. 573(7775), pages 519-525, September.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Ziyang Liu & Xiao Li & Yang Lu & Chen Zhang & Yuewei Zhang & Tianyu Huang & Dongdong Zhang & Lian Duan, 2022. "In situ-formed tetrahedrally coordinated double-helical metal complexes for improved coordination-activated n-doping," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    2. Bo Tong & Jinhong Du & Lichang Yin & Dingdong Zhang & Weimin Zhang & Yu Liu & Yuning Wei & Chi Liu & Yan Liang & Dong-Ming Sun & Lai-Peng Ma & Hui-Ming Cheng & Wencai Ren, 2022. "A polymer electrolyte design enables ultralow-work-function electrode for high-performance optoelectronics," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    3. Zhao-Siu Tan & Zaini Jamal & Desmond W. Y. Teo & Hor-Cheng Ko & Zong-Long Seah & Hao-Yu Phua & Peter K. H. Ho & Rui-Qi Png & Lay-Lay Chua, 2024. "Optimization of fluorinated phenyl azides as universal photocrosslinkers for semiconducting polymers," Nature Communications, Nature, vol. 15(1), pages 1-14, December.
    4. Sugawara, Carmen Luca & Kim, Hea-Won & Modić Stanke, Koraljka & Krasniqi, Vjollca & Basic, Sanela, 2023. "The role of community-university engagement in strengthening local community capacity in Southeastern Europe," International Journal of Educational Development, Elsevier, vol. 98(C).
    5. Miao Xiong & Xin-Yu Deng & Shuang-Yan Tian & Kai-Kai Liu & Yu-Hui Fang & Juan-Rong Wang & Yunfei Wang & Guangchao Liu & Jupeng Chen & Diego Rosas Villalva & Derya Baran & Xiaodan Gu & Ting Lei, 2024. "Counterion docking: a general approach to reducing energetic disorder in doped polymeric semiconductors," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    6. Xiao Tan & Dehai Dou & Lay-Lay Chua & Rui-Qi Png & Daniel G. Congrave & Hugo Bronstein & Martin Baumgarten & Yungui Li & Paul W. M. Blom & Gert-Jan A. H. Wetzelaer, 2024. "Inverted device architecture for high efficiency single-layer organic light-emitting diodes with imbalanced charge transport," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    7. Weeratunge, Hansani & Aditya, Gregorius Riyan & Dunstall, Simon & de Hoog, Julian & Narsilio, Guillermo & Halgamuge, Saman, 2021. "Feasibility and performance analysis of hybrid ground source heat pump systems in fourteen cities," Energy, Elsevier, vol. 234(C).

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-39215-9. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.