Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes
Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Her...
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| Autor*in: |
Dong, Wu-Jie [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2022 |
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© Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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| Übergeordnetes Werk: |
Enthalten in: Rare metals - Beijing : Yejin Gongye Chubanshe, 1989, 42(2022), 1 vom: 05. Okt., Seite 122-133 |
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| Übergeordnetes Werk: |
volume:42 ; year:2022 ; number:1 ; day:05 ; month:10 ; pages:122-133 |
| Links: |
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| DOI / URN: |
10.1007/s12598-022-02097-9 |
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| Katalog-ID: |
SPR051246511 |
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| 520 | |a Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract | ||
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10.1007/s12598-022-02097-9 doi (DE-627)SPR051246511 (SPR)s12598-022-02097-9-e DE-627 ger DE-627 rakwb eng Dong, Wu-Jie verfasserin aut Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 Le, Jia-Bo aut Jin, Yan aut Zhang, Guo-Qing aut Ye, Bin aut Qin, Peng aut Huang, Fu-Qiang (orcid)0000-0003-0526-5473 aut Enthalten in Rare metals Beijing : Yejin Gongye Chubanshe, 1989 42(2022), 1 vom: 05. Okt., Seite 122-133 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:42 year:2022 number:1 day:05 month:10 pages:122-133 https://dx.doi.org/10.1007/s12598-022-02097-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 42 2022 1 05 10 122-133 |
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10.1007/s12598-022-02097-9 doi (DE-627)SPR051246511 (SPR)s12598-022-02097-9-e DE-627 ger DE-627 rakwb eng Dong, Wu-Jie verfasserin aut Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 Le, Jia-Bo aut Jin, Yan aut Zhang, Guo-Qing aut Ye, Bin aut Qin, Peng aut Huang, Fu-Qiang (orcid)0000-0003-0526-5473 aut Enthalten in Rare metals Beijing : Yejin Gongye Chubanshe, 1989 42(2022), 1 vom: 05. Okt., Seite 122-133 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:42 year:2022 number:1 day:05 month:10 pages:122-133 https://dx.doi.org/10.1007/s12598-022-02097-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 42 2022 1 05 10 122-133 |
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10.1007/s12598-022-02097-9 doi (DE-627)SPR051246511 (SPR)s12598-022-02097-9-e DE-627 ger DE-627 rakwb eng Dong, Wu-Jie verfasserin aut Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 Le, Jia-Bo aut Jin, Yan aut Zhang, Guo-Qing aut Ye, Bin aut Qin, Peng aut Huang, Fu-Qiang (orcid)0000-0003-0526-5473 aut Enthalten in Rare metals Beijing : Yejin Gongye Chubanshe, 1989 42(2022), 1 vom: 05. Okt., Seite 122-133 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:42 year:2022 number:1 day:05 month:10 pages:122-133 https://dx.doi.org/10.1007/s12598-022-02097-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 42 2022 1 05 10 122-133 |
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10.1007/s12598-022-02097-9 doi (DE-627)SPR051246511 (SPR)s12598-022-02097-9-e DE-627 ger DE-627 rakwb eng Dong, Wu-Jie verfasserin aut Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 Le, Jia-Bo aut Jin, Yan aut Zhang, Guo-Qing aut Ye, Bin aut Qin, Peng aut Huang, Fu-Qiang (orcid)0000-0003-0526-5473 aut Enthalten in Rare metals Beijing : Yejin Gongye Chubanshe, 1989 42(2022), 1 vom: 05. Okt., Seite 122-133 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:42 year:2022 number:1 day:05 month:10 pages:122-133 https://dx.doi.org/10.1007/s12598-022-02097-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 42 2022 1 05 10 122-133 |
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10.1007/s12598-022-02097-9 doi (DE-627)SPR051246511 (SPR)s12598-022-02097-9-e DE-627 ger DE-627 rakwb eng Dong, Wu-Jie verfasserin aut Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 Le, Jia-Bo aut Jin, Yan aut Zhang, Guo-Qing aut Ye, Bin aut Qin, Peng aut Huang, Fu-Qiang (orcid)0000-0003-0526-5473 aut Enthalten in Rare metals Beijing : Yejin Gongye Chubanshe, 1989 42(2022), 1 vom: 05. Okt., Seite 122-133 (DE-627)513219307 (DE-600)2238702-X 1867-7185 nnns volume:42 year:2022 number:1 day:05 month:10 pages:122-133 https://dx.doi.org/10.1007/s12598-022-02097-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_374 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_2700 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 42 2022 1 05 10 122-133 |
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Enthalten in Rare metals 42(2022), 1 vom: 05. Okt., Seite 122-133 volume:42 year:2022 number:1 day:05 month:10 pages:122-133 |
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Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. 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Dong, Wu-Jie |
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Dong, Wu-Jie misc Organic cathodes misc Alkali-metal-ion battery misc Lowest unoccupied molecular orbitals (LUMO) misc Organophosphates Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes |
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Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes Organic cathodes (dpeaa)DE-He213 Alkali-metal-ion battery (dpeaa)DE-He213 Lowest unoccupied molecular orbitals (LUMO) (dpeaa)DE-He213 Organophosphates (dpeaa)DE-He213 |
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metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes |
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Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes |
| abstract |
Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
| abstractGer |
Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
| abstract_unstemmed |
Organic cathodes for alkali-metal-ion batteries attract great attentions in recent years, but the ion storage sites are limited to some finite functional groups. This is because an organic cathode must have proper lowest unoccupied molecular orbitals (LUMO) to accept electrons at high potential. Herein, a novel type of organophosphate-based cathode has successfully been explored by tuning the LUMO energy level of organophosphates through metal ions with an inert electron pair. For the first time, the P=O of phytate (PA), N,N,N′,N′-ethylenediaminetetrakis(methylene phytate) (EDTMP), and diethylenetriaminepentakis(methyl phytate) (DTPMP) is activated by lead/bismuth (with $ 6s^{2} $ electron pair) to storage Li/Na/K ions reversibly. Typically, density functional theory calculations indicate that the LUMO energy of Bi-PA is greatly reduced from − 0.99 (PA) to − 4.61 eV, which shows the first discharge capacity of 173, 182 and 206 mAh·$ g^{−1} $ and the reversibly capacity of 102, 102 and 101 mAh·$ g^{−1} $ with the discharge platform of 2.4, 2.1 and 2.4 V for Li/Na/K-ion battery cathodes, respectively. Similarly, with proper LUMO energy level, Pb-PA (− 4.63 eV), Pb-EDTMP (− 3.71 eV), and Pb-DTPMP (− 4.45 eV) all exhibit admirable performance. This unique strategy of organic materials to alkali-metal-ion battery cathodes offers a new avenue for future energy storage systems. Graphical abstract © Youke Publishing Co.,Ltd 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. |
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| title_short |
Metal organophosphates: electronic structure tuning from inert materials to universal alkali-metal-ion battery cathodes |
| url |
https://dx.doi.org/10.1007/s12598-022-02097-9 |
| remote_bool |
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| author2 |
Le, Jia-Bo Jin, Yan Zhang, Guo-Qing Ye, Bin Qin, Peng Huang, Fu-Qiang |
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Le, Jia-Bo Jin, Yan Zhang, Guo-Qing Ye, Bin Qin, Peng Huang, Fu-Qiang |
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| doi_str |
10.1007/s12598-022-02097-9 |
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2024-07-03T20:40:39.959Z |
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| score |
7.3994036 |