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

被引：64

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：

欧洲研究理事会; 英国工程与自然科学研究理事会;

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

页码：6316 / 6324

页数：9

共 113 条

[41] MATERIALS SCIENCE - CONFUSION BY DESIGN [J].

GREER, AL .

NATURE, 1993, 366 (6453) :303-304

[42] COHERENT-POTENTIAL APPROXIMATION FOR A "NONOVERLAPPING-MUFFIN-TIN-POTENTIAL MODEL OF RANDOM SUBSTITUTIONAL ALLOYS [J].

GYORFFY, BL .

PHYSICAL REVIEW B, 1972, 5 (06) :2382-&

[43] Analysis of Enantiospecific and Diastereomeric Cocrystal Systems by Crystal Structure Prediction [J].

Habgood, Matthew .

CRYSTAL GROWTH & DESIGN, 2013, 13 (10) :4549-4558

[44] Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model [J].

Habgood, Matthew ;

Grau-Crespo, Ricardo ;

Price, Sarah L. .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (20) :9590-9600

[45] Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Neel N-Type Ferrimagnetism [J].

Hagen, Karl S. ;

Naik, Sunil G. ;

Huynh, Boi Hanh ;

Masello, Antonio ;

Christou, George .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (22) :7516-+

[46] Metal-organic complex ferroelectrics [J].

Hang, Tian ;

Zhang, Wen ;

Ye, Heng-Yun ;

Xiong, Ren-Gen .

CHEMICAL SOCIETY REVIEWS, 2011, 40 (07) :3577-3598

[47] Massive Anisotropic Thermal Expansion and Thermo-Responsive Breathing in Metal-Organic Frameworks Modulated by Linker Functionalization [J].

Henke, Sebastian ;

Schneemann, Andreas ;

Fischer, Roland A. .

ADVANCED FUNCTIONAL MATERIALS, 2013, 23 (48) :5990-5996

[48] Raman and infrared spectra of multiferroic bismuth ferrite from first principles [J].

Hermet, P. ;

Goffinet, M. ;

Kreisel, J. ;

Ghosez, Ph. .

PHYSICAL REVIEW B, 2007, 75 (22)

[49] HOW CHEMISTRY AND PHYSICS MEET IN THE SOLID-STATE [J].

HOFFMANN, R .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1987, 26 (09) :846-878

[50] INHOMOGENEOUS ELECTRON-GAS [J].

RAJAGOPAL, AK ;

CALLAWAY, J .

PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919

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