scholarly journals Study of the inorganic substitution in a functionalized UiO-66 metal–organic framework

2016 ◽  
Vol 18 (18) ◽  
pp. 12748-12754 ◽  
Author(s):  
Alhassan Salman Yasin ◽  
Jiangtian Li ◽  
Nianqiang Wu ◽  
Terence Musho
Keyword(s):  
Band Gap ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Band Gap Modulation ◽  
Organic Framework

A study of the band gap modulation in response to the inorganic substitution of the UiO-66 functionalized MOF.

scholarly journals Band gap modulation in zirconium-based metal–organic frameworks by defect engineering

2019 ◽  
Vol 7 (41) ◽  
pp. 23781-23786 ◽  
Author(s):  
Marco Taddei ◽  
Giulia M. Schukraft ◽  
Michael E. A. Warwick ◽  
Davide Tiana ◽  
Matthew J. McPherson ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Band Gap ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Defect Engineering ◽  
Engineering Approach ◽  
Metal Organic ◽  
Engineered Materials ◽  
Band Gap Modulation ◽  
Organic Framework

A simple defect engineering approach to systematically tune the band gap of the prototypical zirconium-based metal–organic framework UiO-66 is reported. Defect engineered materials display enhanced photocatalytic activity.

scholarly journals Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering

2019 ◽  
Author(s):  
Marco Taddei ◽  
Giulia M. Schukraft ◽  
Michael E. A. Warwick ◽  
Davide Tiana ◽  
Matthew McPherson ◽  
...  
Keyword(s):  
Band Gap ◽  
Gas Phase ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Benzoic Acids ◽  
Defect Engineering ◽  
Metal Organic ◽  
Band Gap Modulation ◽  
Valence Band Energy ◽  
Defective Sites

We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtained by both post-synthetic exchange and modulated synthesis, featuring band gap in the 4.1-3.3 eV range. Ab-initio calculations suggest that shrinking of the band gap is mainly due to an upward shift of the valence band energy, as a result of the presence of light-absorbing monocarboxylates. The photocatalytic properties of defect-engineered MOFs towards CO<sub>2</sub> reduction to CO in the gas phase and degradation of Rhodamine B in water were tested, observing improved activity in both cases, in comparison to a defective UiO-66 bearing formic acid as the defect-compensating species.

Lowering Band Gap of an Electroactive Metal–Organic Framework via Complementary Guest Intercalation

2017 ◽  
Vol 9 (38) ◽  
pp. 32413-32417 ◽  
Author(s):  
Zhiyong Guo ◽  
Dillip K. Panda ◽  
Monica A. Gordillo ◽  
Amina Khatun ◽  
Hui Wu ◽  
...  
Keyword(s):  
Band Gap ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering

2019 ◽  
Author(s):  
Marco Taddei ◽  
Giulia M. Schukraft ◽  
Michael E. A. Warwick ◽  
Davide Tiana ◽  
Matthew McPherson ◽  
...  
Keyword(s):  
Band Gap ◽  
Gas Phase ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Benzoic Acids ◽  
Defect Engineering ◽  
Metal Organic ◽  
Band Gap Modulation ◽  
Valence Band Energy ◽  
Defective Sites

We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtained by both post-synthetic exchange and modulated synthesis, featuring band gap in the 4.1-3.3 eV range. Ab-initio calculations suggest that shrinking of the band gap is mainly due to an upward shift of the valence band energy, as a result of the presence of light-absorbing monocarboxylates. The photocatalytic properties of defect-engineered MOFs towards CO<sub>2</sub> reduction to CO in the gas phase and degradation of Rhodamine B in water were tested, observing improved activity in both cases, in comparison to a defective UiO-66 bearing formic acid as the defect-compensating species.

scholarly journals Coordination‐induced band gap reduction in a metal‐organic framework

2021 ◽  
Author(s):  
Craig A. Peeples ◽  
Ahmet Çetinkaya ◽  
Patrik Tholen ◽  
Franz-Josef Schmitt ◽  
Yunus Zorlu ◽  
...  
Keyword(s):  
Band Gap ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

scholarly journals Band Gap Modulation in Zirconium-Based Metal-Organic Frameworks by Defect Engineering

2019 ◽  
Author(s):  
Marco Taddei ◽  
Giulia M. Schukraft ◽  
Michael E. A. Warwick ◽  
Davide Tiana ◽  
Matthew McPherson ◽  
...  
Keyword(s):  
Band Gap ◽  
Gas Phase ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Benzoic Acids ◽  
Defect Engineering ◽  
Metal Organic ◽  
Band Gap Modulation ◽  
Valence Band Energy ◽  
Defective Sites

We report a defect-engineering approach to modulate the band gap of zirconium-based metal-organic framework UiO-66, enabled by grafting of a range of amino-functionalised benzoic acids at defective sites. Defect engineered MOFs were obtained by both post-synthetic exchange and modulated synthesis, featuring band gap in the 4.1-3.3 eV range. Ab-initio calculations suggest that shrinking of the band gap is mainly due to an upward shift of the valence band energy, as a result of the presence of light-absorbing monocarboxylates. The photocatalytic properties of defect-engineered MOFs towards CO<sub>2</sub> reduction to CO in the gas phase and degradation of Rhodamine B in water were tested, observing improved activity in both cases, in comparison to a defective UiO-66 bearing formic acid as the defect-compensating species.

scholarly journals A Semiconductive and Microporous One-Dimensional Tubular Metal-Organic Framework

2020 ◽  
Author(s):  
Mehmet Menaf Ayhan ◽  
Ceyda Bayraktar ◽  
Kai Yu ◽  
Gabriel Hanna ◽  
Ozgur Yazaydin ◽  
...  
Keyword(s):  
Band Gap ◽  
Surface Area ◽  
Metal Organic Framework ◽  
High Surface ◽  
High Surface Area ◽  
One Dimensional ◽  
Metal Organic ◽  
Direct Band ◽  
Indirect Band Gap ◽  
Organic Framework

<p>We report the first one-dimensional tubular metal-organic framework (MOF) [Ni(Cu-H6TPPA)]∙2DMA (H8TPPA = 5,10,15,20-tetrakis[p-phenylphosphonic acid] porphyrin) in the literature. The structure of this MOF, known as GTUB4, was solved using single crystal X-ray diffraction and its surface area was calculated to be 1102 m2/g, making it the phosphonate MOF with the highest reported surface area. GTUB4 also possesses a narrow indirect band gap of 1.9 eV and a direct band gap of 2.16 eV, making it a semiconducting MOF. Thermogravimetric analysis of GTUB4 suggests that it is thermally stable up to 400°C. Owing to its high surface area, low band gap, and thermal stability, GTUB4 could find applications as electrodes in supercapacitors.<br></p>

Effects of ligand functionalization on the band gaps and luminescent properties of a Zr12 oxo-cluster based metal-organic framework

CrystEngComm ◽  
2021 ◽  
Author(s):  
Lin Zhou ◽  
Feiyan Liu ◽  
Ji Wang ◽  
Rongzhi Chen ◽  
Yunlin Chen
Keyword(s):  
Band Gap ◽  
Optical Band Gap ◽  
Mixed Solvent ◽  
Metal Organic Framework ◽  
Luminescent Properties ◽  
Band Gaps ◽  
Solvothermal Process ◽  
Band Gap Engineering ◽  
Metal Organic ◽  
Organic Framework

Herein, effective optical band gap engineering of a robust Zr12 oxo-based hcp UiO-66 has been realized through linker functionalization. A versatile mixed solvent-based solvothermal process was employed to synthesize the...

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