{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T18:43:48Z","timestamp":1791917028841,"version":"4.3.4"},"reference-count":63,"publisher":"Wiley","issue":"53","license":[{"start":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T00:00:00Z","timestamp":1785283200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T00:00:00Z","timestamp":1785283200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22579151"],"award-info":[{"award-number":["22579151"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52472247"],"award-info":[{"award-number":["52472247"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002858","name":"China Postdoctoral Science Foundation","doi-asserted-by":"publisher","award":["2022M722866"],"award-info":[{"award-number":["2022M722866"]}],"id":[{"id":"10.13039\/501100002858","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["advanced.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Advanced Materials"],"published-print":{"date-parts":[[2026,9]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Organometallic macrocyclic molecules have shown great potential to accelerate the reaction kinetics in Li\u2212S batteries. However, it is still challenging to precisely tailor the microenvironment of metal sites and enhance its intrinsic reactivity. Herein, inspired by single\u2010atom editing in organic chemistry, we prepared a series of isolobal nickel\u2010based organometallic macrocyclic molecules (denoted as Ni\u2212N\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    C\n                    <jats:italic>\n                      <jats:sub>y<\/jats:sub>\n                    <\/jats:italic>\n                    ) to optimize the steric configuration and d\u2010orbital states of Ni sites by tuning the first coordination shell at atom\u2010level. In situ x\u2010ray absorption spectroscopy revealed the dynamic evolution of nickel sites, while in situ Raman spectra demonstrated the accelerated sulfur conversion kinetics for Ni\u2212N\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    in Li\u2212S batteries. Theoretical calculations confirmed that the geometric configuration of Ni\u2212N\n                    <jats:italic>\n                      <jats:sub>x<\/jats:sub>\n                    <\/jats:italic>\n                    C\n                    <jats:italic>\n                      <jats:sub>y<\/jats:sub>\n                    <\/jats:italic>\n                    can be modulated by first\u2010shell atoms, when the d\n                    <jats:italic>\n                      <jats:sub>xy<\/jats:sub>\n                    <\/jats:italic>\n                    and d\n                    <jats:sub>x<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    \u2212\n                    <jats:sub>y<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    orbitals of nickel can be activated for N\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    \u2010coordinated Ni site. In addition, the up\u2010shift of d\u2010band center for Ni\u2212N\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    further facilitates its hybridization with sulfur species. Consequently, cells with Ni\u2212N\n                    <jats:sub>2<\/jats:sub>\n                    C\n                    <jats:sub>2<\/jats:sub>\n                    deliver 1277\u00a0mA\u00a0h\u00a0g\n                    <jats:sup>\u22121<\/jats:sup>\n                    at 0.5\u00a0C, while showing a decay rate of 0.04% at 2\u00a0C. Furthermore, an Ah\u2010level pouch cell with energy density of 393\u00a0W\u00a0h\u00a0kg\n                    <jats:sup>\u22121<\/jats:sup>\n                    can be achieved based on the total mass of cell. This work provides mechanistic insights into the microenvironment regulation of single\u2010metal\u2010site and structure\u2013activity relationships in Li\u2212S batteries.\n                  <\/jats:p>","DOI":"10.1002\/adma.74394","type":"journal-article","created":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T10:52:15Z","timestamp":1785322335000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Atomic Editing of the First\u2010Shell to Modulate the d\u2010Electron State of Transition Metal Sites for Accelerated Redox Kinetics in Lithium\u2212Sulfur Batteries"],"prefix":"10.1002","volume":"38","author":[{"given":"Yan","family":"Zhao","sequence":"first","affiliation":[{"name":"School of Materials Science and Engineering Zhongyuan Critical Metals Laboratory Zhengzhou University  Zhengzhou 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