Database Design for Double-Linker Metal-Organic Frameworks

被引：8
|
作者：
Ryu, Dayoung [1 ]
Kim, Jihan [1 ]
机构：
[1] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Daejeon 34141, South Korea
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2023年 / 127卷 / 21期
基金：
新加坡国家研究基金会;
关键词：
HYDROGEN STORAGE; CHEMISTRY; MOFS;
D O I：
10.1021/acs.jpcc.3c02142
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Most metal-organic frameworks are composed ofa single organiclinker bridging between two different metal clusters. On the otherhand, "double-linker" MOFs, which can be formed by bridgingtwo different metal clusters with two organic ligands, are comparativelyrare. In this work, we devise an algorithm that can computationallygenerate these double-linker MOFs and use our strategy to build alarge database of hypothetical double-linker MOFs. These MOFs tendto have large pore volumes compared to other experimentally synthesizedMOFs and can serve to expand the set of potential MOFs for variousenergy and environmental-related applications.
引用
收藏
页码：10384 / 10390
页数：7
相关论文
共 50 条
  • [41] Synthetic design of homochiral metal-organic frameworks
    Nguyen, Edward
    Zhao, Xiang
    Bu, Xianhui
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [42] Ligand design for functional metal-organic frameworks
    Almeida Paz, Filipe A.
    Klinowski, Jacek
    Vilela, Sergio M. F.
    Tome, Joao P. C.
    Cavaleiro, Jose A. S.
    Rocha, Joao
    CHEMICAL SOCIETY REVIEWS, 2012, 41 (03) : 1088 - 1110
  • [43] Design principles for electroactive metal-organic frameworks
    Hendon, Christopher
    Butler, Keith
    Walsh, Aron
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [44] Metal-Organic Frameworks: From Design to Materials
    Zhang, Jie-Peng
    Chen, Xiao-Ming
    METAL-ORGANIC FRAMEWORKS FOR PHOTONICS APPLICATIONS, 2014, 157 : 1 - 26
  • [45] Dynamic metal-organic frameworks: Design and properties
    Bu, Xian He
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
  • [46] Electronic and optical properties of metal-organic frameworks with azobenzene derivatives introduced to the organic linker
    Neukirch, Amanda J.
    Prezhdo, Oleg V.
    Lewis, James P.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [47] Effect of the organic linker on chemical and thermal stability and degradation of zirconium metal-organic frameworks
    DeCoste, Jared B.
    Peterson, Gregory W.
    Glover, T. Grant
    Jasuja, Himanshu
    Walton, Krista S.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
  • [48] Multi-functional metal-organic frameworks assembled from a tripodal organic linker
    Vilela, Sergio M. F.
    Ananias, Duarte
    Gomes, Ana C.
    Valente, Anabela A.
    Carlos, Luis D.
    Cavaleiro, Jose A. S.
    Rocha, Joao
    Tome, Joao P. C.
    Almeida Paz, Filipe A.
    JOURNAL OF MATERIALS CHEMISTRY, 2012, 22 (35) : 18354 - 18371
  • [49] Metal-organic macrocycles, metal-organic polyhedra and metal-organic frameworks
    Prakash, M. Jaya
    Lah, Myoung Soo
    CHEMICAL COMMUNICATIONS, 2009, (23) : 3326 - 3341
  • [50] Integration of metal-organic frameworks and covalent organic frameworks: Design, synthesis, and applications
    Li, Yang
    Karimi, Meghdad
    Gong, Yun-Nan
    Dai, Nan
    Safarifard, Vahid
    Jiang, Hai-Long
    MATTER, 2021, 4 (07) : 2230 - 2265
12345