What question did this study set out to answer?

Identify optimal molecular photoswitch designs for solar thermal energy storage by evaluating the optical and thermal performance of norbornadiene-quadricyclane systems.

June 2, 2016ChemSusChem

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First‐Principles Calculations

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Authors

MKMikael KuismaMaterials Design (France)ALAngelica LundinChalmers University of Technology KMKasper Moth‐PoulsenInstitució Catalana de Recerca i Estudis Avançats

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Overview

Computational screening reveals that single-substituted norbornadienes optimize efficiency and storage density, suggesting design rules for molecular solar thermal storage.

Key Points

Identify optimal molecular photoswitch designs for solar thermal energy storage by evaluating the optical and thermal performance of norbornadiene-quadricyclane systems.
Conducted first-principles quantum mechanical calculations to screen 64 norbornadiene-based derivatives.
Evaluated optical properties, including solar spectrum matching, and thermal parameters, such as energy storage density and stability.
Molecules reaching maximum theoretical solar conversion efficiency required strong red-shifting, which induced undesirable photoisomer absorption, lowered thermal stability, and reduced energy density due to high molecular weight.
Single-substituted norbornadiene systems achieved an effective trade-off between power conversion efficiency and energy storage density while preventing competing photoisomer absorption.

Cite This Study

Kuisma et al. (2016) studied this question.

synapsesocial.com/papers/6a962b3ee2c87aea1dd22c80 https://doi.org/10.1002/cssc.201600281

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June 2, 2016ChemSusChem

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First‐Principles Calculations

View Full Paper

Ask AI

Bookmark

Authors

MKMikael KuismaMaterials Design (France)ALAngelica LundinChalmers University of Technology KMKasper Moth‐PoulsenInstitució Catalana de Recerca i Estudis Avançats

Discussion

Member takes

Overview

Computational screening reveals that single-substituted norbornadienes optimize efficiency and storage density, suggesting design rules for molecular solar thermal storage.

Key Points

Identify optimal molecular photoswitch designs for solar thermal energy storage by evaluating the optical and thermal performance of norbornadiene-quadricyclane systems.
Conducted first-principles quantum mechanical calculations to screen 64 norbornadiene-based derivatives.
Evaluated optical properties, including solar spectrum matching, and thermal parameters, such as energy storage density and stability.
Molecules reaching maximum theoretical solar conversion efficiency required strong red-shifting, which induced undesirable photoisomer absorption, lowered thermal stability, and reduced energy density due to high molecular weight.
Single-substituted norbornadiene systems achieved an effective trade-off between power conversion efficiency and energy storage density while preventing competing photoisomer absorption.

Cite This Study

Kuisma et al. (2016) studied this question.

synapsesocial.com/papers/6a962b3ee2c87aea1dd22c80 https://doi.org/10.1002/cssc.201600281

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