{"doi":"10.1021/jacs.3c05755","title":"Fermi-Level Engineering of Nitrogen Core-Doped Armchair Graphene Nanoribbons","abstract":"High Resolution Image Download MS PowerPoint Slide Substitutional heteroatom doping of bottom-up engineered 1D graphene nanoribbons (GNRs) is a versatile tool for realizing low-dimensional functional materials for nanoelectronics and sensing. Previous efforts have largely relied on replacing C–H groups lining the edges of GNRs with trigonal planar N atoms. This type of atomically precise doping, however, only results in a modest realignment of the valence band (VB) and conduction band (CB) energies. Here, we report the design, bottom-up synthesis, and spectroscopic characterization of nitrogen core-doped 5-atom-wide armchair GNRs (N 2 -5-AGNRs) that yield much greater energy-level shifting of the GNR electronic structure. Here, the substitution of C atoms with N atoms along the backbone of the GNR introduces a single surplus π-electron per dopant that populates the electronic states associated with previously unoccupied bands. First-principles DFT-LDA calculations confirm that a sizable shift in Fermi energy (∼1.0 eV) is accompanied by a broad reconfiguration of the band structure, including the opening of a new band gap and the transition from a direct to an indirect semiconducting band gap. Scanning tunneling spectroscopy (STS) lift-off charge transport experiments corroborate the theoretical results and reveal the relationship among substitutional heteroatom doping, Fermi-level shifting, electronic band structure, and topological engineering for this new N-doped GNR.","journal":"Journal of the American Chemical Society","year":2023,"id":330989,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":32,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9467,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":863144,"name":"Peter H. Jacobse","orcid":"0000-0002-0777-6050","position":1,"is_corresponding":false},{"id":863145,"name":"Jingwei Jiang","orcid":"0000-0002-0949-4401","position":2,"is_corresponding":false},{"id":863146,"name":"Ziyi Wang","orcid":"0000-0003-1049-5038","position":3,"is_corresponding":false},{"id":622967,"name":"Steven G. Louie","orcid":"0000-0003-0622-0170","position":4,"is_corresponding":false},{"id":755840,"name":"Michael F. Crommie","orcid":"0000-0001-8246-3444","position":5,"is_corresponding":false},{"id":459077,"name":"Felix R. Fischer","orcid":"0000-0003-4723-3111","position":6,"is_corresponding":false},{"id":863143,"name":"Ethan Chi Ho Wen","orcid":"0000-0002-8656-5285","position":0,"is_corresponding":true}],"reference_count":50,"raw_metadata":null,"created_at":"2026-07-19T01:09:14.691473Z","pmid":"37611208","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}