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But current graphite cathode materials are limited in charge storage capacity due to the formation of stage\u20104 graphite\u2010intercalated compounds (GICs) in the fully charged state. Herein, we propose a new type of cathode materials for AIBs, namely polycyclic aromatic hydrocarbons (PAHs), which resemble graphite in terms of the large conjugated \u03c0 bond, but do not form GICs in the charge process. Quantum chemistry calculations show that PAHs can bind AlCl\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    through the interaction between the conjugated \u03c0 bond in the PAHs and AlCl\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    <jats:sub>,<\/jats:sub>\n                    forming on\u2010plane interactions. The theoretical specific capacity of PAHs is negatively correlated with the number of benzene rings in the PAHs. Then, under the guidance of theoretical calculations, anthracene, a three\u2010ring PAH, was evaluated as a cathode material for AIBs. Electrochemical measurements show that anthracene has a high specific capacity of 157\u2005mAh\u2009g\n                    <jats:sup>\u22121<\/jats:sup>\n                    (at 100\u2005mA\u2009g\n                    <jats:sup>\u22121<\/jats:sup>\n                    ) and still maintains a specific capacity of 130\u2005mAh\u2009g\n                    <jats:sup>\u22121<\/jats:sup>\n                    after 800 cycles. This work provides a feasible \u201ctheory guides practice\u201d research model for the development of energy storage materials, and also provides a new class of promising cathode materials for AIBs.\n                  <\/jats:p>","DOI":"10.1002\/anie.202114681","type":"journal-article","created":{"date-parts":[[2021,11,9]],"date-time":"2021-11-09T23:57:35Z","timestamp":1636502255000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":91,"title":["Polycyclic Aromatic Hydrocarbons as a New Class of Promising Cathode Materials for Aluminum\u2010Ion Batteries"],"prefix":"10.1002","volume":"61","author":[{"given":"Dongqing","family":"Kong","sequence":"first","affiliation":[{"name":"State Key Laboratory of Heavy Oil Processing China University of Petroleum  Qingdao 266580 P. R. China"},{"name":"Weifang Key Lab of Advanced Light Materials Manufacturing and Forming Weifang University of Science and Technology  Weifang 262700 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tonghui","family":"Cai","sequence":"additional","affiliation":[{"name":"Department of Materials Chemistry School of Materials Science and Engineering China University of Petroleum  Qingdao 266580 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haodong","family":"Fan","sequence":"additional","affiliation":[{"name":"Department of Materials Chemistry School of Materials Science and Engineering China University of Petroleum  Qingdao 266580 P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haoyu","family":"Hu","sequence":"additional","affiliation":[{"name":"Department of Materials Chemistry School of Materials Science and Engineering China University of Petroleum  Qingdao 266580 P. R. 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