IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v14y2023i1d10.1038_s41467-023-36947-6.html
   My bibliography  Save this article

Phase formation capability and compositional design of β-phase multiple rare-earth principal component disilicates

Author

Listed:
  • Yixiu Luo

    (Institute of Metal Research, Chinese Academy of Sciences)

  • Luchao Sun

    (Institute of Metal Research, Chinese Academy of Sciences)

  • Jiemin Wang

    (Institute of Metal Research, Chinese Academy of Sciences)

  • Tiefeng Du

    (Institute of Metal Research, Chinese Academy of Sciences)

  • Cui Zhou

    (Institute of Metal Research, Chinese Academy of Sciences
    University of Science and Technology of China)

  • Jie Zhang

    (Institute of Metal Research, Chinese Academy of Sciences)

  • Jingyang Wang

    (Institute of Metal Research, Chinese Academy of Sciences)

Abstract

A key strategy to design environmental barrier coatings focuses on doping multiple rare-earth principal components into β-type rare-earth disilicates (RE2Si2O7) to achieve versatile property optimization. However, controlling the phase formation capability of (nRExi)2Si2O7 remains a crucial challenge, due to the complex polymorphic phase competitions and evolutions led by different RE3+ combination. Herein, by fabricating twenty-one model (REI0.25REII0.25REIII0.25REIV0.25)2Si2O7 compounds, we find that their formation capability can be evaluated by the ability to accommodate configurational randomness of multiple RE3+ cations in β-type lattice while preventing the β-to-γ polymorphic transformation. The phase formation and stabilization are controlled by the average RE3+ radius and the deviations of different RE3+ combinations. Subsequently, based on high-throughput density-functional-theory calculations, we propose that the configurational entropy of mixing is a reliable descriptor to predict the phase formation of β-type (nRExi)2Si2O7. The results may accelerate the design of (nRExi)2Si2O7 materials with tailored compositions and controlled polymorphic phases.

Suggested Citation

  • Yixiu Luo & Luchao Sun & Jiemin Wang & Tiefeng Du & Cui Zhou & Jie Zhang & Jingyang Wang, 2023. "Phase formation capability and compositional design of β-phase multiple rare-earth principal component disilicates," Nature Communications, Nature, vol. 14(1), pages 1-13, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-36947-6
    DOI: 10.1038/s41467-023-36947-6
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-023-36947-6
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-023-36947-6?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. Pranab Sarker & Tyler Harrington & Cormac Toher & Corey Oses & Mojtaba Samiee & Jon-Paul Maria & Donald W. Brenner & Kenneth S. Vecchio & Stefano Curtarolo, 2018. "High-entropy high-hardness metal carbides discovered by entropy descriptors," Nature Communications, Nature, vol. 9(1), pages 1-10, December.
    2. Christina M. Rost & Edward Sachet & Trent Borman & Ali Moballegh & Elizabeth C. Dickey & Dong Hou & Jacob L. Jones & Stefano Curtarolo & Jon-Paul Maria, 2015. "Entropy-stabilized oxides," Nature Communications, Nature, vol. 6(1), pages 1-8, December.
    3. Abhishek Sarkar & Leonardo Velasco & Di Wang & Qingsong Wang & Gopichand Talasila & Lea de Biasi & Christian Kübel & Torsten Brezesinski & Subramshu S. Bhattacharya & Horst Hahn & Ben Breitung, 2018. "High entropy oxides for reversible energy storage," Nature Communications, Nature, vol. 9(1), pages 1-9, December.
    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. Lei Su & Huaixun Huyan & Abhishek Sarkar & Wenpei Gao & Xingxu Yan & Christopher Addiego & Robert Kruk & Horst Hahn & Xiaoqing Pan, 2022. "Direct observation of elemental fluctuation and oxygen octahedral distortion-dependent charge distribution in high entropy oxides," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    2. Siyang Nie & Liang Wu & Qinghua Zhang & Yunwei Huang & Qingda Liu & Xun Wang, 2024. "High-entropy-perovskite subnanowires for photoelectrocatalytic coupling of methane to acetic acid," Nature Communications, Nature, vol. 15(1), pages 1-15, December.
    3. Yanzhi Wang & Hangjuan He & Hao Lv & Fengrui Jia & Ben Liu, 2024. "Two-dimensional single-crystalline mesoporous high-entropy oxide nanoplates for efficient electrochemical biomass upgrading," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    4. Wei Chen & Antoine Hilhorst & Georgios Bokas & Stéphane Gorsse & Pascal J. Jacques & Geoffroy Hautier, 2023. "A map of single-phase high-entropy alloys," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    5. Hengwei Luan & Xin Zhang & Hongyu Ding & Fei Zhang & J. H. Luan & Z. B. Jiao & Yi-Chieh Yang & Hengtong Bu & Ranbin Wang & Jialun Gu & Chunlin Shao & Qing Yu & Yang Shao & Qiaoshi Zeng & Na Chen & C. , 2022. "High-entropy induced a glass-to-glass transition in a metallic glass," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    6. Sung-Kyun Jung & Hyeokjo Gwon & Hyungsub Kim & Gabin Yoon & Dongki Shin & Jihyun Hong & Changhoon Jung & Ju-Sik Kim, 2022. "Unlocking the hidden chemical space in cubic-phase garnet solid electrolyte for efficient quasi-all-solid-state lithium batteries," Nature Communications, Nature, vol. 13(1), pages 1-13, December.
    7. Adánez-Rubio, Iñaki & Izquierdo, María T. & Brorsson, Joakim & Mei, Daofeng & Mattisson, Tobias & Adánez, Juan, 2024. "Use of a high-entropy oxide as an oxygen carrier for chemical looping," Energy, Elsevier, vol. 298(C).
    8. Sishuang Tang & Minghao Xie & Saerom Yu & Xun Zhan & Ruilin Wei & Maoyu Wang & Weixin Guan & Bowen Zhang & Yuyang Wang & Hua Zhou & Gengfeng Zheng & Yuanyue Liu & Jamie H. Warner & Guihua Yu, 2024. "General synthesis of high-entropy single-atom nanocages for electrosynthesis of ammonia from nitrate," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    9. Jihyun Baek & Md Delowar Hossain & Pinaki Mukherjee & Junghwa Lee & Kirsten T. Winther & Juyoung Leem & Yue Jiang & William C. Chueh & Michal Bajdich & Xiaolin Zheng, 2023. "Synergistic effects of mixing and strain in high entropy spinel oxides for oxygen evolution reaction," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    10. Arrigo Calzolari & Corey Oses & Cormac Toher & Marco Esters & Xiomara Campilongo & Sergei P. Stepanoff & Douglas E. Wolfe & Stefano Curtarolo, 2022. "Plasmonic high-entropy carbides," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    11. Jose Antonio Garrido Torres & Vahe Gharakhanyan & Nongnuch Artrith & Tobias Hoffmann Eegholm & Alexander Urban, 2021. "Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures," Nature Communications, Nature, vol. 12(1), pages 1-9, December.
    12. Liang Chen & Shiqing Deng & Hui Liu & Jie Wu & He Qi & Jun Chen, 2022. "Giant energy-storage density with ultrahigh efficiency in lead-free relaxors via high-entropy design," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    13. Bin Ouyang & Yan Zeng, 2024. "The rise of high-entropy battery materials," Nature Communications, Nature, vol. 15(1), pages 1-5, December.
    14. Jiaojiao Hu & Qiankun Yang & Shuya Zhu & Yong Zhang & Dingshun Yan & Kefu Gan & Zhiming Li, 2023. "Superhard bulk high-entropy carbides with enhanced toughness via metastable in-situ particles," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    15. Martina Fracchia & Mauro Coduri & Maela Manzoli & Paolo Ghigna & Umberto Anselmi Tamburini, 2022. "Is configurational entropy the main stabilizing term in rock-salt Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O high entropy oxide?," Nature Communications, Nature, vol. 13(1), pages 1-4, December.
    16. Antu Laha & Suguru Yoshida & Francisco Marques dos Santos Vieira & Hemian Yi & Seng Huat Lee & Sai Venkata Gayathri Ayyagari & Yingdong Guan & Lujin Min & Jose Gonzalez Jimenez & Leixin Miao & David G, 2024. "High-entropy engineering of the crystal and electronic structures in a Dirac material," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    17. Jian Fu & Aiwen Xie & Ruzhong Zuo & Yiqian Liu & He Qi & Zongqian Wang & Quan Feng & Jinming Guo & Kun Zeng & Xuefeng Chen & Zhengqian Fu & Yifan Zhang & Xuewen Jiang & Tianyu Li & Shujun Zhang & Yuan, 2024. "A highly polarizable concentrated dipole glass for ultrahigh energy storage," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    18. Gao, Yibo & Mao, Yanpeng & Song, Zhanlong & Zhao, Xiqiang & Sun, Jing & Wang, Wenlong & Chen, Guifang & Chen, Shouyan, 2020. "Efficient generation of hydrogen by two-step thermochemical cycles: Successive thermal reduction and water splitting reactions using equal-power microwave irradiation and a high entropy material," Applied Energy, Elsevier, vol. 279(C).
    19. Kai Wang & Weibo Hua & Xiaohui Huang & David Stenzel & Junbo Wang & Ziming Ding & Yanyan Cui & Qingsong Wang & Helmut Ehrenberg & Ben Breitung & Christian Kübel & Xiaoke Mu, 2023. "Synergy of cations in high entropy oxide lithium ion battery anode," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
    20. Yi Han & Xiangyang Liu & Qiqi Zhang & Muzhang Huang & Yi Li & Wei Pan & Peng-an Zong & Lieyang Li & Zesheng Yang & Yingjie Feng & Peng Zhang & Chunlei Wan, 2022. "Ultra-dense dislocations stabilized in high entropy oxide ceramics," Nature Communications, Nature, vol. 13(1), pages 1-9, December.

    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_s41467-023-36947-6. 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.