{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,17]],"date-time":"2026-10-17T18:05:03Z","timestamp":1792260303475,"version":"4.4.0"},"reference-count":62,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2026,3,20]],"date-time":"2026-03-20T00:00:00Z","timestamp":1773964800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,3,20]],"date-time":"2026-03-20T00:00:00Z","timestamp":1773964800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2026,3,27]]},"abstract":"<jats:p>\n                    Electric double\u2010layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. The energy storage properties are closely related to the electrode\/electrolyte interface interaction. The microstructure of the electrode surface can make a significant impact on the EDL structure. Here, we investigated boron (B), nitrogen (N), and sulfur (S) doping in graphene electrodes coupled with ionic liquid (IL) electrolytes using molecular dynamics (MD) simulations under the constant potential method (CPM). The results show that heteroatom N\u2010doping elevates ionic conductivity by 15\u2009mS\/cm compared to pristine graphene, driven by weakened electrode\u2010solvent interactions, with the ethanol diffusivity enhanced 36%. Notably, B\u2010doped graphene achieves a superior double\u2010layer capacitance (\n                    <jats:italic>C<\/jats:italic>\n                    <jats:sub>D<\/jats:sub>\n                    ) of 7.75\u2009\u03bcF\/cm\n                    <jats:sup>2<\/jats:sup>\n                    within a \u22121 to 2\u2009V window, attributed to additional charge storage sites and hole carrier injection that modify the electronic structure. These results demonstrate that heteroatom doping can regulate both electronic properties and interfacial dynamics, thereby mitigating the energy\u2010power trade\u2010off. Our work advances the molecular\u2010level understanding of EDLCs and provides a foundation for exploring heteroatom doping strategies to design high\u2010performance graphene\u2010based supercapacitors.\n                  <\/jats:p>","DOI":"10.1002\/cphc.202500785","type":"journal-article","created":{"date-parts":[[2026,3,20]],"date-time":"2026-03-20T18:58:58Z","timestamp":1774033138000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Molecular Dynamics of Heteroatom\u2010Doped Graphene Electrodes and Hybrid Electrolytes for High\u2010Performance Ionic Liquid Supercapacitors"],"prefix":"10.1002","volume":"27","author":[{"given":"Min","family":"Wang","sequence":"first","affiliation":[{"name":"College of Physics Changchun Normal University  Changchun China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bao","family":"Chen","sequence":"additional","affiliation":[{"name":"College of Physics Changchun 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