photocatalysis
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Chemistry
Design of multifunctional framework materials for sustainable photocatalysis
Rational design of framework materials incorporating photosensitizers and catalysts can lead to highly efficient and reusable photocatalysts for artificial photosynthesis and organic transformations, leading to more efficient and sustainable chemical processes is expected. Credit: Carbon Future, Tsinghua University Press The goal of sustainable chemistry has led chemists to use renewable energy for chemical reactions, minimize hazardous waste, and maximize the…
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Chemistry
New computational insights unlock the potential of photocatalysis using Marcus theory
Credit: ICIQ Dr. Albert Solé-Daura and Professor Feliu Maseras investigated the application of Marcus theory, traditionally used to model electron transfer, to estimate the free energy barrier underlying the energy transfer (EnT) process. These results confirm that Marcus theory can be effectively applied in combination with density functional theory (DFT) calculations to predict the EnT barrier height, facilitating computational studies…
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