Organic photovoltaic cells using Y6 non-fullerene acceptors have recently achieved high efficiency, and it was suggested to be attributed to the charge-transfer (CT) nature of the excitations in Y6 ...
We now focus on the character of the core-excited CTTS states from the perspective of electronic-structure theory. Simulated XAS are presented in Fig. 2 panels (b)–(d), which were performed at the ...
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