The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization
Open accessAbstract
Herein we discuss band gap modification of MIL-125, a TiO2/1,4-benzenedicarboxylate (bdc) metal-organic framework (MOF). Through a combination of synthesis and computation, we elucidated the electronic structure of MIL-125 with aminated linkers. The band gap decrease observed when the monoaminated bdc-NH2 linker was used arises from donation of the N 2p electrons to the aromatic linking unit, resulting in a red-shifted band above the valence-band edge of MIL-125. We further explored in silico MIL-125 with the diaminated linker bdc-(NH2)2 and other functional groups (-OH, -CH3, -Cl) as alternative substitutions to control the optical response. The bdc-(NH2)2 linking unit was predicted to lower the band gap of MIL-125 to 1.28 eV, and this was confirmed through the targeted synthesis of the bdc-(NH2)2-based MIL-125. This study illustrates the possibility of tuning the optical response of MOFs through rational functionalization of the linking unit, and the strength of combined synthetic/computational approaches for targeting functionalized hybrid materials.
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Cites
An Amine-Functionalized MIL-53 Metal−Organic Framework with Large Separation Power for CO 2 and CH 4
Couck, S., Denayer, J. F. M., Baron, G. V., Rémy, T., Gascon, J., & Kapteijn, F. (2009) · Journal of the American Chemical Society · doi:10.1021/ja900555r · Cited by 988
Adsorption/catalytic properties of MIL-125 and NH2-MIL-125
Kim, S.-N., Kim, J., Kim, H.-Y., Cho, H.-Y., & Ahn, W.-S. (2013) · Catalysis Today · doi:10.1016/j.cattod.2012.08.014 · Cited by 528
Functionalized MOFs for Enhanced CO2 Capture
Torrisi, A., Bell, R. G., & Mellot-Draznieks, C. (2010) · Crystal Growth & Design · doi:10.1021/cg100646e · Cited by 293
Self-citation
Cited by
Yusuf, V. F., Malek, N. I., & Kailasa, S. K. (2022) · ACS Omega · doi:10.1021/acsomega.2c05310 · Cited by 894
MOF positioning technology and device fabrication
Falcaro, P., Ricco, R., Doherty, C. M., Liang, K., Hill, A. J., & Styles, M. J. (2014) · Chem. Soc. Rev. · doi:10.1039/c4cs00089g · Cited by 710
Stable Metal–Organic Frameworks with Group 4 Metals: Current Status and Trends
Yuan, S., Qin, J.-S., Lollar, C. T., & Zhou, H.-C. (2018) · ACS Central Science · doi:10.1021/acscentsci.8b00073 · Cited by 561
Modified metal-organic frameworks as photocatalysts
Qiu, J., Zhang, X., Feng, Y., Zhang, X., Wang, H., & Yao, J. (2018) · Applied Catalysis B: Environmental · doi:10.1016/j.apcatb.2018.03.039 · Cited by 499
Metal organic framework based catalysts for CO2 conversion
Maina, J. W., Pozo-Gonzalo, C., Kong, L., Schütz, J., Hill, M., & Dumée, L. F. (2017) · Materials Horizons · doi:10.1039/c6mh00484a · Cited by 423
Metadata
- Authors
- Hendon, C. H., Tiana, D., Fontecave, M., Sanchez, C., D’arras, L., Sassoye, C., Rozes, L., Mellot-Draznieks, C., & Walsh, A.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2013-07-15
- Volume
- 135
- Issue
- 30
- Pages
- 10942-10945
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2142797228
- Cited by
- 875
- References
- 3
- FWCI
- 19.17
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Hendon, C. H., Tiana, D., Fontecave, M., Sanchez, C., D’arras, L., Sassoye, C., Rozes, L., Mellot-Draznieks, C., & Walsh, A. (2013). Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization. Journal of the American Chemical Society. https://doi.org/10.1021/ja405350u
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