Enhancing the Chemical Stability and Photovoltaic Properties of Highly Efficient Nonfullerene Acceptors by Chalcogen Substitution: Insights from Quantum Chemical Calculations
Leandro Benatto,
João Paulo A. Souza,
Matheus F. F. das Neves
et al.
Abstract:The
chemical stability of the nonfullerene acceptor (NFA) is the
Achilles’ heel of the research on state-of-the-art organic
solar cells (OSC). The fragility of NFA is essentially due to the
weak bond that links the central donor core of the molecules with
their acceptor moieties at the edges. Here, we proposed the replacement
of thiophene at the outer-core position of traditional NFAs for tellurophene,
a hitherto unexplored modification. Since tellurium is a distinctive
element among chalcogens, the basic feat… Show more
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