Simulating excited states in metal organic frameworks: from light-absorption to photochemical CO<sub>2</sub> reduction

Ingham, Michael; Aziz, Alex; Di Tommaso, Devis; Crespo-Otero, Rachel

doi:10.1039/d3ma00518f

Mater. Adv.

2023

DOI: 10.1039/d3ma00518f

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Simulating excited states in metal organic frameworks: from light-absorption to photochemical CO₂ reduction

Michael Ingham,

Alex Aziz,

Devis Di Tommaso

et al.

Abstract: Metal-organic frameworks (MOFs) have a wide range of optoelectronic and photochemical applications, many of which are directly dependent on their excited states. Computational modelling of excited state processes could aid...

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2024

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Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling

Granados-Tavera,

Cárdenas-Jirón

2024

Dalton Trans.

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Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling

Granados-Tavera,

Cárdenas-Jirón

2024

Dalton Trans.

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Simulating excited states in metal organic frameworks: from light-absorption to photochemical CO₂ reduction

Abstract: Metal-organic frameworks (MOFs) have a wide range of optoelectronic and photochemical applications, many of which are directly dependent on their excited states. Computational modelling of excited state processes could aid...

Cited by 1 publication

References 246 publications

Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling

Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling

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Simulating excited states in metal organic frameworks: from light-absorption to photochemical CO2 reduction

Abstract: Metal-organic frameworks (MOFs) have a wide range of optoelectronic and photochemical applications, many of which are directly dependent on their excited states. Computational modelling of excited state processes could aid...

Cited by 1 publication

References 246 publications

Electronic, optical and charge transport properties of Zn–porphyrin–C60 MOFs: a combined periodic and cluster modeling

Electronic, optical and charge transport properties of Zn–porphyrin–C60 MOFs: a combined periodic and cluster modeling

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Simulating excited states in metal organic frameworks: from light-absorption to photochemical CO₂ reduction

Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling

Electronic, optical and charge transport properties of Zn–porphyrin–C₆₀ MOFs: a combined periodic and cluster modeling