open access publication

Article, 2024

Deciphering the controlling factors for phase transitions in zeolitic imidazolate frameworks

NATIONAL SCIENCE REVIEW, ISSN 2095-5138, 2095-5138, Volume 11, 4, 10.1093/nsr/nwae023

Contributors

Du, Tao 0000-0003-2402-6320 [1] Li, Shanwu [2] Ganisetti, Sudheer 0000-0003-1030-7156 [1] Bauchy, Mathieu 0000-0003-4600-0631 [3] [4] Yue, Yuanzheng 0000-0002-6048-5236 [1] Smedskjaer, Morten 0000-0003-0476-2021 (Corresponding author) [1]

Affiliations

  1. [1] Aalborg Univ, Dept Chem & Biosci, DK-9220 Aalborg, Denmark
    2. [NORA names: AAU Aalborg University; University; Denmark; Europe, EU; Nordic; OECD];
  2. [2] Michigan Technol Univ, Dept Mech Engn Engn Mech, Houghton, MI 49931 USA
    3. [NORA names: United States; America, North; OECD];
  3. [3] Univ Calif Los Angeles, Dept Civil & Environm Engn, Phys AmoRphous & Inorgan Solids Lab PARISlab, Los Angeles, CA 90095 USA
    4. [NORA names: United States; America, North; OECD];
  4. [4] Univ Calif Los Angeles, Dept Civil & Environm Engn, Phys AmoRphous & Inorgan Solids Lab PARISlab, Los Angeles, CA 90095 USA
    5. [NORA names: United States; America, North; OECD]

Abstract

A new structural descriptor, the ring orientation index, is proposed as a governing factor for phase transitions in zeolitic imidazolate frameworks (ZIFs), facilitating the design of ZIF glasses for various applications.

Keywords

glass formation, melting, metal-organic frameworks, phase transitions, ring orientation, transferable deep learning force field

Data Provider: Clarivate

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