Electronic Chemical Potentials of Porous Metal-Organic Frameworks

被引：256
作者：
Butler, Keith T. [1 ]
Hendon, Christopher H. [1 ]
Walsh, Aron [1 ]
机构：
[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 136卷 / 07期
基金：
英国工程与自然科学研究理事会;
关键词：
CRYSTALLINE; ALIGNMENT; BEHAVIOR; MOF-5; ROOM;
D O I：
10.1021/ja4110073
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal organic frameworks this quantity is hitherto unknown. We present a general approach for determining the vacuum level of porous metal organic frameworks and apply it to obtain the first ionization energy for six prototype materials including zeolitic, covalent, and ionic frameworks. This approach for valence band alignment can explain observations relating to the electrochemical, optical, and electrical properties of porous frameworks.
引用
收藏
页码：2703 / 2706
页数：4
相关论文
共 38 条
  • [1] Semiconductor behavior of a metal-organic framework (MOF)
    Alvaro, Mercedes
    Carbonell, Esther
    Ferrer, Belen
    Llabres i Xamena, Francesc X.
    Garcia, Hermenegildo
    [J]. CHEMISTRY-A EUROPEAN JOURNAL, 2007, 13 (18) : 5106 - 5112
  • [2] Ti3+-, V2+/3+-, Cr2+/3+-, Mn2+-, and Fe2+-Substituted MOF-5 and Redox Reactivity in Cr- and Fe-MOF-5
    Brozek, Carl K.
    Dinca, Mircea
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 135 (34) : 12886 - 12891
  • [3] Zinc oxide: A case study in contemporary computational solid state chemistry
    Catlow, C. Richard A.
    French, Samuel A.
    Sokol, Alexey A.
    Al-Sunaidi, Abdullah A.
    Woodley, Scott M.
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (13) : 2234 - 2249
  • [4] There's room in the middle
    Cheetham, Anthony K.
    Rao, C. N. R.
    [J]. SCIENCE, 2007, 318 (5847) : 58 - 59
  • [5] A chemically functionalizable nanoporous material [Cu3(TMA)2(H2O)3]n
    Chui, SSY
    Lo, SMF
    Charmant, JPH
    Orpen, AG
    Williams, ID
    [J]. SCIENCE, 1999, 283 (5405) : 1148 - 1150
  • [6] Porous, crystalline, covalent organic frameworks
    Côté, AP
    Benin, AI
    Ockwig, NW
    O'Keeffe, M
    Matzger, AJ
    Yaghi, OM
    [J]. SCIENCE, 2005, 310 (5751) : 1166 - 1170
  • [7] A New Photoactive Crystalline Highly Porous Titanium(IV) Dicarboxylate
    Dan-Hardi, Meenakshi
    Serre, Christian
    Frot, Theo
    Rozes, Laurence
    Maurin, Guillaume
    Sanchez, Clement
    Ferey, Gerard
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (31) : 10857 - +
  • [8] Work function based gas sensing with Cu-BTC metal-organic framework for selective aldehyde detection
    Davydovskaya, P.
    Pohle, R.
    Tawil, A.
    Fleischer, M.
    [J]. SENSORS AND ACTUATORS B-CHEMICAL, 2013, 187 : 142 - 146
  • [9] Large-Pore Apertures in a Series of Metal-Organic Frameworks
    Deng, Hexiang
    Grunder, Sergio
    Cordova, Kyle E.
    Valente, Cory
    Furukawa, Hiroyasu
    Hmadeh, Mohamad
    Gandara, Felipe
    Whalley, Adam C.
    Liu, Zheng
    Asahina, Shunsuke
    Kazumori, Hiroyoshi
    O'Keeffe, Michael
    Terasaki, Osamu
    Stoddart, J. Fraser
    Yaghi, Omar M.
    [J]. SCIENCE, 2012, 336 (6084) : 1018 - 1023
  • [10] Commercial metal-organic frameworks as heterogeneous catalysts
    Dhakshinamoorthy, Amarajothi
    Alvaro, Mercedes
    Garcia, Hermenegildo
    [J]. CHEMICAL COMMUNICATIONS, 2012, 48 (92) : 11275 - 11288
1234