{"paper":{"title":"Ferroelectric $\\pi$-stacks of molecules with the energy gaps in the sunlight range","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Ma{\\l}gorzata Wierzbowska, Pawe{\\l} Masiak","submitted_at":"2017-01-13T17:37:52Z","abstract_excerpt":"Ferroelectric $\\pi$-stacked molecular wires for solar cell applications are theoretically designed, in such a way that their energy gaps fall within visible and infrared range of the Sun radiation. Band engineering is tailored by a modification of the number of the aromatic rings and via a choice of the number and kind of the dipole groups. The electronic structures of molecular wires and the chemical character of the electron-hole pair are analyzed within the density functional theory (DFT) framework and the hybrid DFT approach by means of the B3LYP scheme. Moreover, it is found that one of t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1701.03748","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}