A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries
Naphthoquinones exhibit significant potential as cathode materials in rechargeable organic lithium-ion batteries due to their customizable molecular structure and high theoretical specific capacities. However, their low utilization of redox-active sites and high solubility result in poor electrochem...
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| مؤلفون آخرون: | , , , , |
| منشور في: |
2024
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| _version_ | 1852025958384533504 |
|---|---|
| author | Yun Zhao (48978) |
| author2 | Kai Feng (502124) Jianze Zhang (15369546) Yizhe Wang (2287393) Liping Zheng (1611577) Xuejin Wang (10979494) |
| author2_role | author author author author author |
| author_facet | Yun Zhao (48978) Kai Feng (502124) Jianze Zhang (15369546) Yizhe Wang (2287393) Liping Zheng (1611577) Xuejin Wang (10979494) |
| author_role | author |
| dc.creator.none.fl_str_mv | Yun Zhao (48978) Kai Feng (502124) Jianze Zhang (15369546) Yizhe Wang (2287393) Liping Zheng (1611577) Xuejin Wang (10979494) |
| dc.date.none.fl_str_mv | 2024-10-14T23:49:33Z |
| dc.identifier.none.fl_str_mv | 10.1021/acsaem.4c01116.s001 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/media/A_Trimeric-Imidazole_Ring-Containing_Naphthoquinone_Compound_with_Hydrogen_Bonds_for_High-Performance_Lithium-Ion_Batteries/27229461 |
| dc.rights.none.fl_str_mv | CC BY-NC 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Biophysics Biochemistry Pharmacology Evolutionary Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified structural stability along outstanding rate capability customizable molecular structure 422 wh kg poor electrochemical performance outstanding electrochemical performance high solubility result high energy density high current density containing small molecule containing naphthoquinone compound 96 mah g 79 mah g reversible capacity remains rechargeable organic lithium naphtho -[ 2 ion batteries due conjugated trimeric structure active site utilization reversible capacity ion batteries performance lithium low utilization active sites ∼ 90 tdmnq ), results demonstrate insoluble trimeric imidazole ring hydroxyl group hydrogen bonds hydrogen bonding favorable efficacy cathode materials cathode exhibit >] imidazole 2500 cycles |
| dc.title.none.fl_str_mv | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| dc.type.none.fl_str_mv | Dataset Media info:eu-repo/semantics/publishedVersion dataset |
| description | Naphthoquinones exhibit significant potential as cathode materials in rechargeable organic lithium-ion batteries due to their customizable molecular structure and high theoretical specific capacities. However, their low utilization of redox-active sites and high solubility result in poor electrochemical performance. In response to this challenge, an insoluble trimeric-imidazole ring-containing small molecule with hydrogen bonding, 2,2′,2′′-(2,4,6-trihydroxybenzene-1,3,5-triyl)tris(1H-naphtho-[2,3-<i>d</i>]imidazole-4,9-dione) (TDMNQ), was designed and synthesized. Benefiting from the π-conjugated trimeric structure, containing an imidazole ring and a hydroxyl group that forms intramolecular hydrogen bonds, TDMNQ exhibits excellent chemical/structural stability along with outstanding electrochemical performance. Lithium-ion batteries employing TDMNQ as the cathode exhibit an active site utilization of up to ∼90% at 0.1 A g<sup>–1</sup>, achieving a high energy density of 422 Wh kg<sup>–1</sup>, along with outstanding rate capability (at a high current density of 10 A g<sup>–1</sup>, the reversible capacity is 96 mAh g<sup>–1</sup>), and the reversible capacity remains at 79 mAh g<sup>–1</sup> after 2500 cycles at 5 A g<sup>–1</sup>. These results demonstrate the favorable efficacy of specially designed organic small molecule structures in lithium-ion batteries. |
| eu_rights_str_mv | openAccess |
| id | Manara_64a5fdb42e9080bb77ffd787e2415ce8 |
| identifier_str_mv | 10.1021/acsaem.4c01116.s001 |
| network_acronym_str | Manara |
| network_name_str | ManaraRepo |
| oai_identifier_str | oai:figshare.com:article/27229461 |
| publishDate | 2024 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY-NC 4.0 |
| spelling | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion BatteriesYun Zhao (48978)Kai Feng (502124)Jianze Zhang (15369546)Yizhe Wang (2287393)Liping Zheng (1611577)Xuejin Wang (10979494)BiophysicsBiochemistryPharmacologyEvolutionary BiologyBiological Sciences not elsewhere classifiedChemical Sciences not elsewhere classifiedstructural stability alongoutstanding rate capabilitycustomizable molecular structure422 wh kgpoor electrochemical performanceoutstanding electrochemical performancehigh solubility resulthigh energy densityhigh current densitycontaining small moleculecontaining naphthoquinone compound96 mah g79 mah greversible capacity remainsrechargeable organic lithiumnaphtho -[ 2ion batteries dueconjugated trimeric structureactive site utilizationreversible capacityion batteriesperformance lithiumlow utilizationactive sites∼ 90tdmnq ),results demonstrateinsoluble trimericimidazole ringhydroxyl grouphydrogen bondshydrogen bondingfavorable efficacycathode materialscathode exhibit>] imidazole2500 cyclesNaphthoquinones exhibit significant potential as cathode materials in rechargeable organic lithium-ion batteries due to their customizable molecular structure and high theoretical specific capacities. However, their low utilization of redox-active sites and high solubility result in poor electrochemical performance. In response to this challenge, an insoluble trimeric-imidazole ring-containing small molecule with hydrogen bonding, 2,2′,2′′-(2,4,6-trihydroxybenzene-1,3,5-triyl)tris(1H-naphtho-[2,3-<i>d</i>]imidazole-4,9-dione) (TDMNQ), was designed and synthesized. Benefiting from the π-conjugated trimeric structure, containing an imidazole ring and a hydroxyl group that forms intramolecular hydrogen bonds, TDMNQ exhibits excellent chemical/structural stability along with outstanding electrochemical performance. Lithium-ion batteries employing TDMNQ as the cathode exhibit an active site utilization of up to ∼90% at 0.1 A g<sup>–1</sup>, achieving a high energy density of 422 Wh kg<sup>–1</sup>, along with outstanding rate capability (at a high current density of 10 A g<sup>–1</sup>, the reversible capacity is 96 mAh g<sup>–1</sup>), and the reversible capacity remains at 79 mAh g<sup>–1</sup> after 2500 cycles at 5 A g<sup>–1</sup>. These results demonstrate the favorable efficacy of specially designed organic small molecule structures in lithium-ion batteries.2024-10-14T23:49:33ZDatasetMediainfo:eu-repo/semantics/publishedVersiondataset10.1021/acsaem.4c01116.s001https://figshare.com/articles/media/A_Trimeric-Imidazole_Ring-Containing_Naphthoquinone_Compound_with_Hydrogen_Bonds_for_High-Performance_Lithium-Ion_Batteries/27229461CC BY-NC 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/272294612024-10-14T23:49:33Z |
| spellingShingle | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries Yun Zhao (48978) Biophysics Biochemistry Pharmacology Evolutionary Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified structural stability along outstanding rate capability customizable molecular structure 422 wh kg poor electrochemical performance outstanding electrochemical performance high solubility result high energy density high current density containing small molecule containing naphthoquinone compound 96 mah g 79 mah g reversible capacity remains rechargeable organic lithium naphtho -[ 2 ion batteries due conjugated trimeric structure active site utilization reversible capacity ion batteries performance lithium low utilization active sites ∼ 90 tdmnq ), results demonstrate insoluble trimeric imidazole ring hydroxyl group hydrogen bonds hydrogen bonding favorable efficacy cathode materials cathode exhibit >] imidazole 2500 cycles |
| status_str | publishedVersion |
| title | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| title_full | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| title_fullStr | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| title_full_unstemmed | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| title_short | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| title_sort | A Trimeric-Imidazole Ring-Containing Naphthoquinone Compound with Hydrogen Bonds for High-Performance Lithium-Ion Batteries |
| topic | Biophysics Biochemistry Pharmacology Evolutionary Biology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified structural stability along outstanding rate capability customizable molecular structure 422 wh kg poor electrochemical performance outstanding electrochemical performance high solubility result high energy density high current density containing small molecule containing naphthoquinone compound 96 mah g 79 mah g reversible capacity remains rechargeable organic lithium naphtho -[ 2 ion batteries due conjugated trimeric structure active site utilization reversible capacity ion batteries performance lithium low utilization active sites ∼ 90 tdmnq ), results demonstrate insoluble trimeric imidazole ring hydroxyl group hydrogen bonds hydrogen bonding favorable efficacy cathode materials cathode exhibit >] imidazole 2500 cycles |