文献类型：期刊文献

英文题名：Engineering Graphene Nanoribbons via Periodically Embedding Oxygen Atoms

作者：Zhao, Yan[1,2];Kang, Li-Xia[2];Wang, Yi-Jun[1];Wu, Yi[1];Xing, Guang-Yan[2];Li, Shi-Wen[2];Pan, Jinliang[3];Wang, Nie-Wei[4];Ren, Yin-Ti[4];Wang, Ying[2];Zhu, Ya-Cheng[2];Shi, Xing-Qiang[4];Liu, Mengxi[3,5];Qiu, Xiaohui[3,5];Liu, Pei-Nian[1,2];Li, Deng-Yuan[1]

机构：[1]China Pharmaceut Univ, Sch Pharm, State Key Lab Nat Med, Nanjing 211198, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China;[3]Natl Ctr Nanosci & Technol, CAS Key Lab Standardizat & Measurement Nanotechnol, Beijing 100190, Peoples R China;[4]Hebei Univ, Coll Phys Sci & Technol, Baoding 071002, Peoples R China;[5]Univ Chinese Acad Sci, Beijing 100049, Peoples R China

年份：2025

卷号：64

期号：34

外文期刊名：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

收录：;EI(收录号：20253018831677);WOS:【SCI-EXPANDED(收录号:WOS:001523729000001)】；

基金：This work was supported by the National Natural Science Foundation of China (Nos. 22272050, 22161160319, and 22302068), the Shanghai Municipal Science and Technology Qi Ming Xing Project (No. 22QA1403000), the Shanghai Sailing Program (23YF1408700), China Postdoctoral Science Foundation (2023M731080), the China National Postdoctoral Program for Innovative Talents (BX20230126), Shanghai Post-doctoral Excellence program (2023742), and the Fundamental Research Funds for the Central Universities. This work was also supported by the National Key R&D Program of China (No. 2024YFA1208200), Ministry of Science and Technology of China (No. 2017YFA0205000), the National Natural Science Foundation of China (Nos. 22372048, 12274111, 21790353, and 21425310), the Youth Innovation Promotion Association of CAS (No. 2022038) and the CAS Project for Young Scientists in Basic Research (No. YSBR-054).

语种：英文

外文关键词：Graphene nanoribbons; On-surface synthesis; Oxygen doping; Pyran formation; Scanning probe Microscopy

摘要：Heteroatom doping is an important method for engineering graphene nanoribbons (GNRs) because of its ability to modify electronic properties by introducing extra electrons or vacancies. However, precisely integrating oxygen atoms into the lattice of GNRs is unexplored, and the resulting electronic properties remain elusive. Here, we achieve the precise embedding of oxygen atoms into the lattice of GNRs via in situ formation of pyrans, synthesizing two types of oxygen-doped GNRs (O-doped chevron-GNR and O-doped chiral (2,1)-GNR). Using scanning tunneling microscopy, noncontact atomic force microscopy, and density functional theory calculations, the atomic structures and electronic properties of O-doped GNRs are determined, demonstrating that both GNRs are direct bandgap semiconductors with different sensitivities to oxygen dopants. Oxygen dopants have a minor impact on the bandgap of chevron-GNR but a significant effect on the bandgap of chiral (2,1)-GNR, which is attributed to the difference in density of states near the Fermi level between substituted intrinsic carbon atoms and their pristine counterparts. Compared with the pristine chiral (2,1)-GNR, the band structure of O-doped chiral (2,1)-GNR exhibits unexpected band edges transition, which is ascribed to sp2-hybridized oxygen atoms which introduces additional electrons to the conduction band of chiral (2,1)-GNR, leading to the upward shift of Fermi surface.