Metal-organic frameworks for visible light absorption via anion substitution

被引：20

作者：

Choi, Jung Hoon

Jeon, Hyung Joon

Choi, Kyung Min

Kang, Jeung Ku ^{[1
]}

机构：

[1] NanoCentury & EcoEnergy KIs, Taejon 305701, South Korea

来源：

JOURNAL OF MATERIALS CHEMISTRY | 2012年 / 22卷 / 20期

基金：

新加坡国家研究基金会;

关键词：

CRYSTALS; BEHAVIOR;

D O I：

10.1039/c2jm16245h

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：

We report that the band gap of metal-organic frameworks (MOFs) could be tuned to absorb visible light via anion substitution. First of all, when an oxygen anion in the metal oxide core of IRMOF-1 is substituted with sulphur anions as Zn4S or selenium anions as Zn4Se to form IRMOF-1-S and IRMOF-1-Se, respectively, they result in density-of-states and molecular orbitals for the band gap that can utilize visible light through shifting of the Fermi level due to their electron-rich properties. This implies that the tailored band gap could provide a new route to allow the series of IRMOFs and other MOFs to be used for visible light absorption.

引用

收藏

页码：10144 / 10147

页数：4

相关论文

共 19 条

[1] Semiconductor behavior of a metal-organic framework (MOF) [J].

Alvaro, Mercedes ;

Carbonell, Esther ;

Ferrer, Belen ;

Llabres i Xamena, Francesc X. ;

Garcia, Hermenegildo .

CHEMISTRY-A EUROPEAN JOURNAL, 2007, 13 (18) :5106-5112

[2] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[3] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[4] Electronic and vibrational properties of a MOF-5 metal-organic framework: ZnO quantum dot behaviour [J].

Bordiga, S ;

Lamberti, C ;

Ricchiardi, G ;

Regli, L ;

Bonino, F ;

Damin, A ;

Lillerud, KP ;

Bjorgen, M ;

Zecchina, A .

CHEMICAL COMMUNICATIONS, 2004, (20) :2300-2301

[5] Cobalt Doping of the MOF-5 Framework and Its Effect on Gas-Adsorption Properties [J].

Botas, Juan A. ;

Calleja, Guillermo ;

Sanchez-Sanchez, Manuel ;

Gisela Orcajo, M. .

LANGMUIR, 2010, 26 (08) :5300-5303

[6] A route to high surface area, porosity and inclusion of large molecules in crystals [J].

Chae, HK ;

Siberio-Pérez, DY ;

Kim, J ;

Go, Y ;

Eddaoudi, M ;

Matzger, AJ ;

O'Keeffe, M ;

Yaghi, OM .

NATURE, 2004, 427 (6974) :523-527

[7] Tunability of electronic band gaps from semiconducting to metallic states via tailoring Zn ions in MOFs with Co ions [J].

Choi, Jung Hoon ;

Choi, Yoon Jeong ;

Lee, Jung Woo ;

Shin, Weon Ho ;

Kang, Jeung Ku .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (04) :628-631

[8] Heterogeneity within Order in Crystals of a Porous Metal-Organic Framework [J].

Choi, Kyung Min ;

Jeon, Hyung Joon ;

Kang, Jeung Ku ;

Yaghi, Omar M. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (31) :11920-11923

[9] First principles methods using CASTEP [J].

Clark, SJ ;

Segall, MD ;

Pickard, CJ ;

Hasnip, PJ ;

Probert, MJ ;

Refson, K ;

Payne, MC .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2005, 220 (5-6) :567-570

[10] Industrial applications of metal-organic frameworks [J].

Czaja, Alexander U. ;

Trukhan, Natalia ;

Mueller, Ulrich .

CHEMICAL SOCIETY REVIEWS, 2009, 38 (05) :1284-1293