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Through delicate electrostatic and geometric regulation of INCN analogues (NQ, DCNQ, and TCNC), newly designed NFAs (CH56, CH57, and CH58) render not only an inverted distribution of molecular frontier orbitals, but also the substantial HOMO\u2013LUMO overlap for CH56 while pronounced spatial separation for others. Especially, the puckered TCNC with the most LUMOs distribution yet minimal involvement in molecular packings drives CH58 to adopt a pseudo\u2010three\u2010dimensional (3D) packing network and inferior electron migration in sharp contrast to CH56. Moreover, the twisty CH57 and CH58 also exhibit unexpectedly quenched fluorescence due to the severe skeletal vibrations DCNQ and TCNC, further resulting in the large energy losses and poor photovoltaic performance. Finally, CH56\u2010based OSCs yield a surprising open\u2010circuit\u2010voltage of 1.007\u00a0V for binary devices and an excellent 20.16% efficiency for ternary devices. Our trials on \u201cthird terminal\u201d has enabled the extensive exploration of novel architectures of NFAs beyond conventional structural paradigms.<\/jats:p>","DOI":"10.1002\/anie.202518738","type":"journal-article","created":{"date-parts":[[2025,11,7]],"date-time":"2025-11-07T08:45:36Z","timestamp":1762505136000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Electrostatic and Geometric Regulation of \u201cThird Terminal\u201d in Non\u2010Fullerene Acceptors for High\u2010Performance Organic Photovoltaics"],"prefix":"10.1002","volume":"65","author":[{"given":"Shuhui","family":"Ding","sequence":"first","affiliation":[{"name":"State Key Laboratory and Institute of Elemento\u2010Organic Chemistry The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials Renewable Energy Conversion and Storage Center (RECAST) Frontiers Science Center for New Organic Matter College of 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