Are we on a path to solar cells that utilize iron?

Motley, Tyler C.; Meyer, Gerald J.

doi:10.1038/am.2016.41

Cited by 10 publications

(7 citation statements)

References 4 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The long lifetimes of the MLCT states are, however, not enough for iron coordination compounds to be successful in their role as chromophores in DSSCs. Other processes, such as efficient IET between the excited dyes and the semiconductor, slow charge recombination, and effective regeneration of the oxidized dyes by the redox mediators are equally important for construction of functional DSSCs that utilize iron chromophores [192,193]. Fortunately, computational chemistry possesses tools that allow one to investigate various aspects of the dye-semiconductor and dye-electrolyte interactions [194].…”

Section: Calculations Of Fe(ii)-chromophore-semiconductor Assembliesmentioning

confidence: 99%

Ironing out the photochemical and spin-crossover behavior of Fe(II) coordination compounds with computational chemistry

Ashley

Jakubı́ková

2017

Coordination Chemistry Reviews

111

117

View full text Add to dashboard Cite

Effective strategies for designing Fe(II) coordination complexes with specifically tailored spinstate energetics can lead to advances in many areas of inorganic and materials chemistry. These include, but are not limited to, rational development of novel spin crossover complexes, efficient chromophores for photosensitization of dye-sensitized solar cells, and multifunctional materials.As the spin-state ordering of transition metal complexes is strongly rooted in their electronic structures, computational chemistry has naturally played an important role in assisting experimental work in this area. Unfortunately, despite many advances, accurate determination of the spin-state energetics of Fe(II) complexes still poses a remarkable challenge for virtually all applicable forms of electronic structure theory due to being controlled by a delicate balancing between correlation and exchange effects. This review focuses on some of the more notable successes and failures of modern electronic structure theory in properly describing these systems in the absence of solid-state effects. The strengths and weaknesses of using traditional wavefunction based methods and density functional theory are considered, and illustrative examples are provided to demonstrate that the modern computational chemist should make use of experimental data whenever possible and expect to utilize a combination of methods to obtain the best results. The review closes by briefly surveying some of the many interesting combined computational and experimental studies of Fe(II) chemistry that have lead to greater fundamental insight and practical understanding of this challenging class of systems.

show abstract

Section: Calculations Of Fe(ii)-chromophore-semiconductor Assembliesmentioning

confidence: 99%

Ironing out the photochemical and spin-crossover behavior of Fe(II) coordination compounds with computational chemistry

Ashley

Jakubı́ková

2017

Coordination Chemistry Reviews

111

117

View full text Add to dashboard Cite

show abstract

“…Thus, while great strides were made in designing viable Fe-based sensitizers, there is still significant room for improvement. 34 – 36 …”

Section: Introductionmentioning

confidence: 99%

HOMO inversion as a strategy for improving the light-absorption properties of Fe(ii) chromophores

Mukherjee

Torres²,

Jakubı́ková

2017

Chem. Sci.

View full text Add to dashboard Cite

show abstract

“…The observed kinetics are summarized in Figure 13a, with the key message that an MLCT lifetime on the order of tens of ps is enough to inject electrons with high efficiency. This could be seen as constituting a significant stepping-stone towards the broader usefulness of iron-based photosensitizers [12,13].…”

Section: Molecular Photovoltaicsmentioning

confidence: 99%

Photophysics and Photochemistry of Iron Carbene Complexes for Solar Energy Conversion and Photocatalysis

et al. 2020

View full text Add to dashboard Cite

Earth-abundant first row transition metal complexes are important for the development of large-scale photocatalytic and solar energy conversion applications. Coordination compounds based on iron are especially interesting, as iron is the most common transition metal element in the Earth’s crust. Unfortunately, iron-polypyridyl and related traditional iron-based complexes generally suffer from poor excited state properties, including short excited-state lifetimes, that make them unsuitable for most light-driven applications. Iron carbene complexes have emerged in the last decade as a new class of coordination compounds with significantly improved photophysical and photochemical properties, that make them attractive candidates for a range of light-driven applications. Specific aspects of the photophysics and photochemistry of these iron carbenes discussed here include long-lived excited state lifetimes of charge transfer excited states, capabilities to act as photosensitizers in solar energy conversion applications like dye-sensitized solar cells, as well as recent demonstrations of promising progress towards driving photoredox and photocatalytic processes. Complementary advances towards photofunctional systems with both Fe(II) complexes featuring metal-to-ligand charge transfer excited states, and Fe(III) complexes displaying ligand-to-metal charge transfer excited states are discussed. Finally, we outline emerging opportunities to utilize the improved photochemical properties of iron carbenes and related complexes for photovoltaic, photoelectrochemical and photocatalytic applications.

show abstract

Are we on a path to solar cells that utilize iron?

Cited by 10 publications

References 4 publications

Ironing out the photochemical and spin-crossover behavior of Fe(II) coordination compounds with computational chemistry

Ironing out the photochemical and spin-crossover behavior of Fe(II) coordination compounds with computational chemistry

HOMO inversion as a strategy for improving the light-absorption properties of Fe(ii) chromophores

Photophysics and Photochemistry of Iron Carbene Complexes for Solar Energy Conversion and Photocatalysis

Contact Info

Product

Resources

About