Organised chaos: entropy in hybrid inorganic-organic systems and other materials

被引：63
作者：
Butler, Keith T. [1 ]
Walsh, Aron [1 ,2 ]
Cheetham, Anthony K. [3 ]
Kieslich, Gregor [3 ]
机构：
[1] Univ Bath, Dept Chem, Ctr Sustainable Chem Technol, Bath BA2 7AY, Avon, England
[2] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, 2-2-1 Katahira, Sendai, Miyagi 9808577, Japan
[3] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England
来源：
CHEMICAL SCIENCE | 2016年 / 7卷 / 10期
基金：
英国工程与自然科学研究理事会; 欧洲研究理事会;
关键词：
NEGATIVE THERMAL-EXPANSION; PHASE-TRANSITION; ELECTRONIC-PROPERTIES; SOLID-SOLUTION; FRAMEWORKS; DISORDER; CO2; ADSORPTION; BEHAVIOR; PHONONS;
D O I：
10.1039/c6sc02199a
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Entropy is one of the fundamental quantities which links emerging research areas like flexibility and defect engineering in inorganic-organic hybrid materials. Additionally, a delicate balance between entropy and enthalpy can lead to intriguing temperature-driven transitions in such materials. Here, we briefly overview traditional material design principles, highlight the role of entropy in the past and discuss how computational methods can help us to understand and quantify entropic effects in inorganic-organic hybrid materials in the future.
引用
收藏
页码：6316 / 6324
页数：9
相关论文
共 113 条
  • [1] [Anonymous], 1988, International series of monographs on physics
  • [2] High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture
    Banerjee, Rahul
    Phan, Anh
    Wang, Bo
    Knobler, Carolyn
    Furukawa, Hiroyasu
    O'Keeffe, Michael
    Yaghi, Omar M.
    [J]. SCIENCE, 2008, 319 (5865) : 939 - 943
  • [3] Baur W.H., 1970, Trans Am Crystallogr Assoc, V6, P125
  • [4] Hybrid glasses from strong and fragile metal-organic framework liquids
    Bennett, Thomas D.
    Tan, Jin-Chong
    Yue, Yuanzheng
    Baxter, Emma
    Ducati, Caterina
    Terrill, Nick J.
    Yeung, Hamish H-M
    Zhou, Zhongfu
    Chen, Wenlin
    Henke, Sebastian
    Cheetham, Anthony K.
    Greaves, G. Neville
    [J]. NATURE COMMUNICATIONS, 2015, 6
  • [5] Thermal Amorphization of Zeolitic Imidazolate Frameworks
    Bennett, Thomas D.
    Keen, David A.
    Tan, Jin-Chong
    Barney, Emma R.
    Goodwin, Andrew L.
    Cheetham, Anthony K.
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (13) : 3067 - 3071
  • [6] Mechanism of the order-disorder phase transition, and glassy behavior in the metal-organic framework [(CH3)2NH2]Zn(HCOO)3
    Besara, Tiglet
    Jain, Prashant
    Dalal, Naresh S.
    Kuhns, Philip L.
    Reyes, Arneil P.
    Kroto, Harold W.
    Cheetham, Anthony K.
    [J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2011, 108 (17) : 6828 - 6832
  • [7] First-principles calculations of phonons and Raman spectra in the Hg3Te2Cl2 crystals
    Bokotey, O. V.
    Glukhov, K. E.
    Nebola, I. I.
    Bokotey, A. A.
    [J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 669 : 161 - 166
  • [8] Thermodynamic Origin of Photoinstability in the CH3NH3Pb(I1-xBrx)3 Hybrid Halide Perovskite Alloy
    Brivio, Federico
    Caetano, Clovis
    Walsh, Aron
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (06): : 1083 - 1087
  • [9] Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
    Brivio, Federico
    Frost, Jarvist M.
    Skelton, Jonathan M.
    Jackson, Adam J.
    Weber, Oliver J.
    Weller, Mark T.
    Goni, Alejandro R.
    Leguy, Aurelien M. A.
    Barnes, Piers R. F.
    Walsh, Aron
    [J]. PHYSICAL REVIEW B, 2015, 92 (14)
  • [10] Computational materials design of crystalline solids
    Butler, Keith T.
    Frost, Jarvist M.
    Skelton, Jonathan M.
    Svane, Katrine L.
    Walsh, Aron
    [J]. CHEMICAL SOCIETY REVIEWS, 2016, 45 (22) : 6138 - 6146
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