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- Publisher Website: 10.1002/cssc.201600370
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- PMID: 27376792
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Article: Molybdenum Disulfide-Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First-Principles Calculations
Title | Molybdenum Disulfide-Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First-Principles Calculations |
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Authors | |
Keywords | Batteries First-principle calculations Molybdenum Surface modifications Vanadium fluorophosphates |
Issue Date | 2016 |
Publisher | Wiley - V C H Verlag GmbH & Co. KGaA. The Journal's web site is located at http://www.wiley-vch.de/publish/dt/journals/newJournals/2476/?sID=71f3d067ca62757ff511b46ff5181bd6 |
Citation | ChemSusChem, 2016, v. 9 n. 16, p. 2122-2128 How to Cite? |
Abstract | To develop a new anode material to meet the increasing demands of lithium-ion battery, MoS2 is used for the first time to modify the C/LiVPO4F anode to improve its lithium-storage performance between 3 and 0.01 V. Morphological observations reveal that the MoS2-modified C/LiVPO4F particles (M-LVPF) are wrapped by an amorphous carbon as interlayer and layered MoS2 as external surface. Charge–discharge tests show that M-LVPF delivers a high reversible capacity of 308 mAh g−1 at 50 mA g−1. After 300 cycles at 1.0 A g−1, a capacity retention of 98.7 % is observed. Moreover, it exhibits high rate capability with a specific capacity of 199 mAh g−1 at 1.6 A g−1. Electrochemical impedance spectroscopy tests indicate that the lithium-ion diffusion and charge-exchange reaction at the surface of M-LVPF are greatly enhanced. First-principles calculations for the MoS2 (001)/C/LiVPO4F (010) system demonstrate that the absorption of MoS2 on C/LiVPO4F is exothermic and spontaneous and that the electron transfer at the MoS2-absorbed C/LiVPO4F surface is enhanced. |
Persistent Identifier | http://hdl.handle.net/10722/234529 |
ISSN | 2023 Impact Factor: 7.5 2023 SCImago Journal Rankings: 2.045 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Liu, Z | - |
dc.contributor.author | Peng, W | - |
dc.contributor.author | Xu, Z | - |
dc.contributor.author | Shih, K | - |
dc.contributor.author | Wang, JJ | - |
dc.contributor.author | Wang, Z | - |
dc.contributor.author | Lv, X | - |
dc.contributor.author | Chen, J | - |
dc.contributor.author | Li, X | - |
dc.date.accessioned | 2016-10-14T13:47:28Z | - |
dc.date.available | 2016-10-14T13:47:28Z | - |
dc.date.issued | 2016 | - |
dc.identifier.citation | ChemSusChem, 2016, v. 9 n. 16, p. 2122-2128 | - |
dc.identifier.issn | 1864-5631 | - |
dc.identifier.uri | http://hdl.handle.net/10722/234529 | - |
dc.description.abstract | To develop a new anode material to meet the increasing demands of lithium-ion battery, MoS2 is used for the first time to modify the C/LiVPO4F anode to improve its lithium-storage performance between 3 and 0.01 V. Morphological observations reveal that the MoS2-modified C/LiVPO4F particles (M-LVPF) are wrapped by an amorphous carbon as interlayer and layered MoS2 as external surface. Charge–discharge tests show that M-LVPF delivers a high reversible capacity of 308 mAh g−1 at 50 mA g−1. After 300 cycles at 1.0 A g−1, a capacity retention of 98.7 % is observed. Moreover, it exhibits high rate capability with a specific capacity of 199 mAh g−1 at 1.6 A g−1. Electrochemical impedance spectroscopy tests indicate that the lithium-ion diffusion and charge-exchange reaction at the surface of M-LVPF are greatly enhanced. First-principles calculations for the MoS2 (001)/C/LiVPO4F (010) system demonstrate that the absorption of MoS2 on C/LiVPO4F is exothermic and spontaneous and that the electron transfer at the MoS2-absorbed C/LiVPO4F surface is enhanced. | - |
dc.language | eng | - |
dc.publisher | Wiley - V C H Verlag GmbH & Co. KGaA. The Journal's web site is located at http://www.wiley-vch.de/publish/dt/journals/newJournals/2476/?sID=71f3d067ca62757ff511b46ff5181bd6 | - |
dc.relation.ispartof | ChemSusChem | - |
dc.rights | This is the accepted version of the following article: ChemSusChem, 2016, v. 9 n. 16, p. 2122-2128, which has been published in final form at http://onlinelibrary.wiley.com/wol1/doi/10.1002/cssc.201600370/abstract | - |
dc.subject | Batteries | - |
dc.subject | First-principle calculations | - |
dc.subject | Molybdenum | - |
dc.subject | Surface modifications | - |
dc.subject | Vanadium fluorophosphates | - |
dc.title | Molybdenum Disulfide-Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First-Principles Calculations | - |
dc.type | Article | - |
dc.identifier.email | Shih, K: kshih@hku.hk | - |
dc.identifier.email | Wang, JJ: jxwang@hku.hk | - |
dc.identifier.authority | Shih, K=rp00167 | - |
dc.description.nature | postprint | - |
dc.identifier.doi | 10.1002/cssc.201600370 | - |
dc.identifier.pmid | 27376792 | - |
dc.identifier.scopus | eid_2-s2.0-84978123390 | - |
dc.identifier.hkuros | 269399 | - |
dc.identifier.volume | 9 | - |
dc.identifier.issue | 16 | - |
dc.identifier.spage | 2122 | - |
dc.identifier.epage | 2128 | - |
dc.identifier.isi | WOS:000383267600015 | - |
dc.publisher.place | Germany | - |
dc.identifier.issnl | 1864-5631 | - |