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这些框显示被排除块,同时叠加真实图表资产框。青色虚线表示该 text block 被图表资产 caption 吸收;红色 STOP 是截断触发点,红色框是截断后被排除的块。

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这是实际图表资产输出,不是审计层重新推断。

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1figureFig. 14direct_caption_ref0.82[63.24, 67.99, 464.49, 611.84]Fig. 1. (a) The synthetic procedure of Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO. XRD patterns of (b) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (h) (Ov-)PTC-LMO. Rietveld refinements of (c) Ov-BDC-LMO, (d) BDC-LMO, (f) Ov-BTC-LMO, (g) BTC-LMO, (i) Ov-PTC-LMO, and (j) PTC-LMO.
2figureFig. 25direct_caption_ref0.82[64.74, 67.28, 458.61, 497.73]Fig. 2. (a-c) The panoramic Raman spectra and the high-resolution XPS spectra of (d-f) Li 1 s , (g-i) O 1 s , and (j-l) Mn 2 p for (Ov-)BDC-LMO, (Ov-)BTC-LMO, and (Ov-)PTC-LMO, respectively.
3figureFig. 37direct_caption_ref0.82[91.16, 67.23, 411.67, 365.11]Fig. 3. The SEM images of (a) Mn-BDC, (b) BDC-LMO, (c) Ov-BDC-LMO, (d) Mn-BTC, (e) BTC-LMO, (f) Ov-BTC-LMO, (g) Mn-PTC, (h) PTC-LMO, and (i) Ov-PTC-LMO.
4figureFig. 48direct_caption_ref0.82[75.92, 67.43, 441.0, 526.81]Fig. 4. (a-f) TEM images, (g-l) HRTEM images, (m-r) SAED patterns, and (s-x) HAADF-STEM images and corresponding element mappings of BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO, respectively.
5figureFig. 59direct_caption_ref0.82[81.59, 67.07, 427.64, 552.57]Fig. 5. (a-f) Spherical aberration-corrected HAADF-STEM and (g-l) spherical aberration-corrected ABF-STEM images for BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, OvBTC-LMO, and Ov-PTC-LMO, respectively.
6figureFig. 610direct_caption_ref0.82[66.89, 66.56, 463.86, 455.48]Fig. 6. The cycling performance at 20 mA g 1 for 200 loops of (a) (Ov-)BDC-LMO, (b) (Ov-)BTC-LMO, and (c) (Ov-)PTC-LMO. The rate performance at 0.1, 0.2, 0.4, 1, and 2 C (1 C = 200 mA g 1 ) of (d) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (f) (Ov-)PTC-LMO. The GCD profiles at the 1st, 25th, 50th, and 100th cycle during the cycling test at 20 mA g 1 of (g) Ov-BDC-LMO, (h) Ov-BTC-LMO, and (i) Ov-PTC-LMO. Nyquist plots after 100 cycles at 20 mA g 1 for (j) (Ov-)BDC-LMO, (k) (Ov-)BTC-LMO, and (l) (Ov-)PTC-LMO.
7figureFig. 712direct_caption_ref0.82[52.12, 64.94, 489.3, 641.51]Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s 1 for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, (c) Ov-PTC-LMO, (d) BDC-LMO, (e) BTC-LMO, and (f) PTC-LMO. The schematic illustrations of the first cycle for (g) Ov-LMO and (h) LMO. The separation of the pseudocapacitive contribution at 0.4 mV s 1 for (i) Ov-BDC-LMO, (j) Ov-BTC-LMO, and (k) OvPTC-LMO. The pseudocapacitive contribution ratios at 0.2-1.0 mV s 1 for (l) Ov-BDC-LMO, (m) Ov-BTC-LMO, and (n) Ov-PTC-LMO.
8figureFig. 814direct_caption_ref0.82[59.85, 67.15, 477.24, 498.47]Fig. 8. The single-step profiles of GITT titration during the charging process for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, and (c) Ov-PTC-LMO. The GITT curves of (d) Ov-BDC-LMO, (e) Ov-BTC-LMO, and (f) Ov-PTC-LMO. (g) The calculated Li + diffusion coefficients upon charging for all samples. (h) The schematic illustration of the mechanism of boosted lithium diffusion for Ov-LMO samples. (i) Ex situ XRD patterns at different cycling states (before cycling, after 50 cycles, and after 100 cycles) and (j) Ex situ high-resolution XPS spectra at different charge/discharge states (before charging, charge to 4.7 V, and discharge to 2.5 V) of Mn 2 p for Ov-BDC-LMO during the initial cycle.
9figureFig. 915direct_caption_ref0.82[94.16, 67.03, 402.91, 638.37]Fig. 9. The optimized models of (a) LMO and (b) Ov-LMO. (c) The 3D differential charge density distribution of Ov-LMO. (d) The TDOS curves of LMO and Ov-LMO. The PDOS curves of (e) LMO and (f) Ov-LMO. The energy barriers during delithiation for (g) LMO and (h) Ov-LMO. The lithium vacancy migration paths and corresponding energy barrier curves for (i) LMO and (j) Ov-LMO.

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[37.59, 302.17, 509.06, 15.77]d Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, National Demonstration Center for Experimental Physics Education, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006, Guangdong, Chinad Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, National Demonstration Center for Experimental Physics Education, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006, Guangdong, China
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[306.6, 319.9, 251.12, 28.34]The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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[224.33, 47.98, 146.5, 5.93]Journal of Energy Chemistry 85 (2023) 164-180Journal of Energy Chemistry 85 (2023) 164-180
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[223.6, 79.88, 151.02, 1.59]Contents lists available at ScienceDirectContents lists available at ScienceDirect
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[204.04, 98.03, 190.03, 12.98]Journal of Energy ChemistryJournal of Energy Chemistry
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[37.59, 178.96, 407.61, 29.75]A versatile strategy to activate self-sacrificial templated Li2MnO3 by defect engineering toward advanced lithium storageA versatile strategy to activate self-sacrificial templated Li2MnO3 by defect engineering toward advanced lithium storage
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[37.59, 218.76, 497.29, 26.45]Jian-En Zhou a,1 , Yanhua Peng a,1 , Xiaoyan Sang b , Chunlei Wu c , Yiqing Liu a , Zhijian Peng a , Hong Ou a , Yongbo Wu d , Xiaoming Lin a, ⇑ , Yuepeng Cai a, ⇑Jian-En Zhou a,1 , Yanhua Peng a,1 , Xiaoyan Sang b , Chunlei Wu c , Yiqing Liu a , Zhijian Peng a , Hong Ou a , Yongbo Wu d , Xiaoming Lin a, ⇑ , Yuepeng Cai a, ⇑
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[37.59, 250.75, 505.2, 24.33]a Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Joint Laboratory of Energy and Materials Chemistry (South China Normal University-Guangzhou Tianci New Materials Co., Ltd.), Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, Guangdong, Chinaa Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Joint Laboratory of Energy and Materials Chemistry (South China Normal University-Guangzhou Tianci New Materials Co., Ltd.), Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, Guangdong, China
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[37.59, 276.43, 487.59, 15.77]b National Engineering Research Center for Carbohydrate Synthesis, Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, Jiangxi Normal University, Nanchang 330022, Jiangxi, Chinab National Engineering Research Center for Carbohydrate Synthesis, Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education, Jiangxi Normal University, Nanchang 330022, Jiangxi, China
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[37.64, 293.55, 300.24, 7.21]c Guangzhou Huifu Research Institute Co., Ltd, Nanxiang San Lu, Guangzhou 510663, Guangdong, Chinac Guangzhou Huifu Research Institute Co., Ltd, Nanxiang San Lu, Guangzhou 510663, Guangdong, China
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[37.7, 338.58, 94.35, 11.02]a r t i c l e i n f oa r t i c l e i n f o
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[202.22, 338.86, 65.22, 11.02]a b s t r a c ta b s t r a c t
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[37.59, 361.66, 70.81, 31.61]Article history: Received 14 April 2023 Revised 11 May 2023 Accepted 14 May 2023Article history: Received 14 April 2023 Revised 11 May 2023 Accepted 14 May 2023
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[37.59, 395.91, 91.28, 5.93]Available online 26 May 2023Available online 26 May 2023
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[37.59, 415.97, 77.77, 48.79]Keywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activityKeywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activity
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[202.17, 362.1, 355.49, 169.21]Despite the dazzling theoretical capacity, the devasting electrochemical activity of Li2MnO3 (LMO) caused by the difficult oxidation of Mn 4+ impedes its practical application as the lithium-ion battery (LIB) cathode. The efficacious activation of the Li2MnO3 by importing electrochemically active Mn 3+ ions or morphological engineering is instrumental to its lithium storage activity and structural integrity upon cycling. Herein, we propose a conceptual strategy with metal-organic frameworks (MOFs) as selfsacrificial templates to prepare oxygen-deficient Li2MnO3 (Ov-LMO) for exalted lithium storage performance. Attributed to optimized morphological features, LMO materials derived from Mn-BDC (H2BDC = 1,4-dicarboxybenzene) delivered superior cycling/rate performances compared with their counterparts derived from Mn-BTC (H3BTC = 1,3,5-benzenetricarboxylicacid) and Mn-PTC (H4PTC = pyromellitic acid). Both experimental and theoretical studies elucidate the efficacious activation of primitive LMO materials toward advanced lithium storage by importing oxygen deficiencies. Impressively, Ov-LMO derived from Mn-BDC (Ov-BDC-LMO) delivered intriguing reversible capacities (179.2 mA h g 1 at 20 mA g 1 after 200 cycles and 100.1 mA h g 1 at 80 mA g 1 after 300 cycles), which can be attributed to the small particle size that shortens pathways for Li + /electron transport, the enhanced redox activity induced by abundant oxygen vacancies, and the optimized electronic configuration that contributes to the faster lithium diffusivity. This work provides insights into the rational design of LMO by morphological and atomic modulation to direct its activation and practical application as an advanced LIB cathode.Despite the dazzling theoretical capacity, the devasting electrochemical activity of Li2MnO3 (LMO) caused by the difficult oxidation of Mn 4+ impedes its practical application as the lithium-ion battery (LIB) cathode. The efficacious activation of the Li2MnO3 by importing electrochemically active Mn 3+ ions or morphological engineering is instrumental to its lithium storage activity and structural integrity upon cycling. Herein, we propose a conceptual strategy with metal-organic frameworks (MOFs) as selfsacrificial templates to prepare oxygen-deficient Li2MnO3 (Ov-LMO) for exalted lithium storage performance. Attributed to optimized morphological features, LMO materials derived from Mn-BDC (H2BDC = 1,4-dicarboxybenzene) delivered superior cycling/rate performances compared with their counterparts derived from Mn-BTC (H3BTC = 1,3,5-benzenetricarboxylicacid) and Mn-PTC (H4PTC = pyromellitic acid). Both experimental and theoretical studies elucidate the efficacious activation of primitive LMO materials toward advanced lithium storage by importing oxygen deficiencies. Impressively, Ov-LMO derived from Mn-BDC (Ov-BDC-LMO) delivered intriguing reversible capacities (179.2 mA h g 1 at 20 mA g 1 after 200 cycles and 100.1 mA h g 1 at 80 mA g 1 after 300 cycles), which can be attributed to the small particle size that shortens pathways for Li + /electron transport, the enhanced redox activity induced by abundant oxygen vacancies, and the optimized electronic configuration that contributes to the faster lithium diffusivity. This work provides insights into the rational design of LMO by morphological and atomic modulation to direct its activation and practical application as an advanced LIB cathode.
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[202.17, 532.25, 355.42, 18.23]Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. All rights reserved.Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press.
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[37.7, 605.71, 60.13, 7.96]1. Introduction1. Introduction
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[42.07, 692.51, 78.23, 13.76]⇑ Corresponding authors.⇑ Corresponding authors.
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[48.81, 705.11, 220.95, 5.93]E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. Cai).E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. Cai).
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[43.09, 712.68, 148.31, 7.21]1 These authors contributed equally to this work.1 These authors contributed equally to this work.
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[37.59, 731.92, 136.91, 5.93]https://doi.org/10.1016/j.jechem.2023.05.014
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[176.71, 135.67, 247.4, 1.59]j o u r n a l homepage: www.elsevier.com/locate/jechemj o u r n a l homepage:
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[37.59, 738.73, 520.05, 8.3]2095-4956/ Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. All rights reserved.2095-4956/ Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press.
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[37.59, 48.21, 93.88, 5.93]J.-E. Zhou, Y. Peng, X. Sang et al.J.-E. Zhou, Y. Peng, X. Sang et al.
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[417.77, 48.15, 139.86, 5.93]Journal of Energy Chemistry 85 (2023) 164-180Journal of Energy Chemistry 85 (2023) 164-180
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[306.65, 433.65, 62.99, 7.96]2. Experimental2. Experimental
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[306.65, 455.0, 90.87, 7.42]2.1. Material preparation2.1. Material preparation
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[291.91, 764.24, 11.45, 5.93]165165
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[37.59, 48.21, 93.88, 5.93]J.-E. Zhou, Y. Peng, X. Sang et al.J.-E. Zhou, Y. Peng, X. Sang et al.
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[37.7, 99.31, 106.87, 7.42]2.2. Material characterization2.2. Material characterization
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[37.7, 360.83, 123.51, 7.42]2.3. Electrochemical measurement2.3. Electrochemical measurement
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[37.7, 706.04, 77.39, 7.42]2.4. Theoretical study2.4. Theoretical study
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[417.71, 48.21, 139.91, 5.93]Journal of Energy Chemistry 85 (2023) 164-180Journal of Energy Chemistry 85 (2023) 164-180
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[306.65, 213.96, 99.65, 7.96]3. Results and discussion3. Results and discussion
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[306.65, 235.31, 160.25, 7.42]3.1. Structural and morphological properties3.1. Structural and morphological properties
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[291.91, 764.24, 11.45, 5.93]166166
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[37.59, 48.21, 93.88, 5.93]J.-E. Zhou, Y. Peng, X. Sang et al.J.-E. Zhou, Y. Peng, X. Sang et al.
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[417.77, 48.15, 139.86, 5.93]Journal of Energy Chemistry 85 (2023) 164-180Journal of Energy Chemistry 85 (2023) 164-180
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[37.59, 689.57, 520.05, 14.84]Fig. 1. (a) The synthetic procedure of Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO. XRD patterns of (b) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (h) (Ov-)PTC-LMO. Rietveld refinements of (c) Ov-BDC-LMO, (d) BDC-LMO, (f) Ov-BTC-LMO, (g) BTC-LMO, (i) Ov-PTC-LMO, and (j) PTC-LMO.Fig. 1. (a) The synthetic procedure of Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO. XRD patterns of (b) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (h) (Ov-)PTC-LMO. Rietveld refinements of (c) Ov-BDC-LMO, (d) BDC-LMO, (f) Ov-BTC-LMO, (g) BTC-LMO, (i) Ov-PTC-LMO, and (j) PTC-LMO.
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[37.59, 576.81, 520.03, 14.84]Fig. 2. (a-c) The panoramic Raman spectra and the high-resolution XPS spectra of (d-f) Li 1 s , (g-i) O 1 s , and (j-l) Mn 2 p for (Ov-)BDC-LMO, (Ov-)BTC-LMO, and (Ov-)PTC-LMO, respectively.Fig. 2. (a-c) The panoramic Raman spectra and the high-resolution XPS spectra of (d-f) Li 1 s , (g-i) O 1 s , and (j-l) Mn 2 p for (Ov-)BDC-LMO, (Ov-)BTC-LMO, and (Ov-)PTC-LMO, respectively.
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[51.02, 441.88, 493.16, 6.37]Fig. 3. The SEM images of (a) Mn-BDC, (b) BDC-LMO, (c) Ov-BDC-LMO, (d) Mn-BTC, (e) BTC-LMO, (f) Ov-BTC-LMO, (g) Mn-PTC, (h) PTC-LMO, and (i) Ov-PTC-LMO.Fig. 3. The SEM images of (a) Mn-BDC, (b) BDC-LMO, (c) Ov-BDC-LMO, (d) Mn-BTC, (e) BTC-LMO, (f) Ov-BTC-LMO, (g) Mn-PTC, (h) PTC-LMO, and (i) Ov-PTC-LMO.
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[37.7, 716.52, 110.65, 7.42]3.2. Electrochemical properties3.2. Electrochemical properties
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[37.59, 603.74, 520.03, 14.84]Fig. 4. (a-f) TEM images, (g-l) HRTEM images, (m-r) SAED patterns, and (s-x) HAADF-STEM images and corresponding element mappings of BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO, respectively.Fig. 4. (a-f) TEM images, (g-l) HRTEM images, (m-r) SAED patterns, and (s-x) HAADF-STEM images and corresponding element mappings of BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, Ov-BTC-LMO, and Ov-PTC-LMO, respectively.
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[37.59, 629.65, 520.04, 14.9]Fig. 5. (a-f) Spherical aberration-corrected HAADF-STEM and (g-l) spherical aberration-corrected ABF-STEM images for BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, OvBTC-LMO, and Ov-PTC-LMO, respectively.Fig. 5. (a-f) Spherical aberration-corrected HAADF-STEM and (g-l) spherical aberration-corrected ABF-STEM images for BDC-LMO, BTC-LMO, PTC-LMO, Ov-BDC-LMO, OvBTC-LMO, and Ov-PTC-LMO, respectively.
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[37.59, 530.55, 520.08, 24.48]Fig. 6. The cycling performance at 20 mA g 1 for 200 loops of (a) (Ov-)BDC-LMO, (b) (Ov-)BTC-LMO, and (c) (Ov-)PTC-LMO. The rate performance at 0.1, 0.2, 0.4, 1, and 2 C (1 C = 200 mA g 1 ) of (d) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (f) (Ov-)PTC-LMO. The GCD profiles at the 1st, 25th, 50th, and 100th cycle during the cycling test at 20 mA g 1 of (g) Ov-BDC-LMO, (h) Ov-BTC-LMO, and (i) Ov-PTC-LMO. Nyquist plots after 100 cycles at 20 mA g 1 for (j) (Ov-)BDC-LMO, (k) (Ov-)BTC-LMO, and (l) (Ov-)PTC-LMO.Fig. 6. The cycling performance at 20 mA g 1 for 200 loops of (a) (Ov-)BDC-LMO, (b) (Ov-)BTC-LMO, and (c) (Ov-)PTC-LMO. The rate performance at 0.1, 0.2, 0.4, 1, and 2 C (1 C = 200 mA g 1 ) of (d) (Ov-)BDC-LMO, (e) (Ov-)BTC-LMO, and (f) (Ov-)PTC-LMO. The GCD profiles at the 1st, 25th, 50th, and 100th cycle during the cycling test at 20 mA g 1 of (g) Ov-BDC-LMO, (h) Ov-BTC-LMO, and (i) Ov-PTC-LMO. Nyquist plots after 100 cycles at 20 mA g 1 for (j) (Ov-)BDC-LMO, (k) (Ov-)BTC-LMO, and (l) (Ov-)PTC-LMO.
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[37.59, 714.69, 520.07, 24.53]Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s 1 for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, (c) Ov-PTC-LMO, (d) BDC-LMO, (e) BTC-LMO, and (f) PTC-LMO. The schematic illustrations of the first cycle for (g) Ov-LMO and (h) LMO. The separation of the pseudocapacitive contribution at 0.4 mV s 1 for (i) Ov-BDC-LMO, (j) Ov-BTC-LMO, and (k) OvPTC-LMO. The pseudocapacitive contribution ratios at 0.2-1.0 mV s 1 for (l) Ov-BDC-LMO, (m) Ov-BTC-LMO, and (n) Ov-PTC-LMO.Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s 1 for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, (c) Ov-PTC-LMO, (d) BDC-LMO, (e) BTC-LMO, and (f) PTC-LMO. The schematic illustrations of the first cycle for (g) Ov-LMO and (h) LMO. The separation of the pseudocapacitive contribution at 0.4 mV s 1 for (i) Ov-BDC-LMO, (j) Ov-BTC-LMO, and (k) OvPTC-LMO. The pseudocapacitive contribution ratios at 0.2-1.0 mV s 1 for (l) Ov-BDC-LMO, (m) Ov-BTC-LMO, and (n) Ov-PTC-LMO.
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[306.65, 680.01, 97.57, 7.42]3.3. DFT calculation results3.3. DFT calculation results
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[37.59, 575.68, 520.03, 31.96]Fig. 8. The single-step profiles of GITT titration during the charging process for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, and (c) Ov-PTC-LMO. The GITT curves of (d) Ov-BDC-LMO, (e) Ov-BTC-LMO, and (f) Ov-PTC-LMO. (g) The calculated Li + diffusion coefficients upon charging for all samples. (h) The schematic illustration of the mechanism of boosted lithium diffusion for Ov-LMO samples. (i) Ex situ XRD patterns at different cycling states (before cycling, after 50 cycles, and after 100 cycles) and (j) Ex situ high-resolution XPS spectra at different charge/discharge states (before charging, charge to 4.7 V, and discharge to 2.5 V) of Mn 2 p for Ov-BDC-LMO during the initial cycle.Fig. 8. The single-step profiles of GITT titration during the charging process for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, and (c) Ov-PTC-LMO. The GITT curves of (d) Ov-BDC-LMO, (e) Ov-BTC-LMO, and (f) Ov-PTC-LMO. (g) The calculated Li + diffusion coefficients upon charging for all samples. (h) The schematic illustration of the mechanism of boosted lithium diffusion for Ov-LMO samples. (i) Ex situ XRD patterns at different cycling states (before cycling, after 50 cycles, and after 100 cycles) and (j) Ex situ high-resolution XPS spectra at different charge/discharge states (before charging, charge to 4.7 V, and discharge to 2.5 V) of Mn 2 p for Ov-BDC-LMO during the initial cycle.
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[37.59, 715.76, 520.05, 23.46]Fig. 9. The optimized models of (a) LMO and (b) Ov-LMO. (c) The 3D differential charge density distribution of Ov-LMO. (d) The TDOS curves of LMO and Ov-LMO. The PDOS curves of (e) LMO and (f) Ov-LMO. The energy barriers during delithiation for (g) LMO and (h) Ov-LMO. The lithium vacancy migration paths and corresponding energy barrier curves for (i) LMO and (j) Ov-LMO.Fig. 9. The optimized models of (a) LMO and (b) Ov-LMO. (c) The 3D differential charge density distribution of Ov-LMO. (d) The TDOS curves of LMO and Ov-LMO. The PDOS curves of (e) LMO and (f) Ov-LMO. The energy barriers during delithiation for (g) LMO and (h) Ov-LMO. The lithium vacancy migration paths and corresponding energy barrier curves for (i) LMO and (j) Ov-LMO.
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[37.7, 716.09, 57.15, 7.96]4. Conclusions4. Conclusions
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[306.6, 298.54, 134.88, 7.96]Declaration of competing interestDeclaration of competing interest
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[306.6, 362.22, 73.61, 7.96]AcknowledgmentsAcknowledgments
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[306.6, 383.57, 251.08, 101.58]We gratefully acknowledge the financial support from the Special Funds for the Cultivation of Guangdong College Students' Scientific and Technological Innovation (''Climbing Program' Special Funds, pdjh2023b0145), the Research and Development Plan Project in Key Fields of Guangdong Province (2020B0101030005), the Applied special project of Guangdong Provincial Science and Technology Plan (2017B090917002), and the Basic and Applied Basic Research Fund of Guangdong Province (2019B1515120027). Furthermore, the authors would like to thank the Shiyanjia lab (https://www.shiyanjia.com) for the TEM test.We gratefully acknowledge the financial support from the Special Funds for the Cultivation of Guangdong College Students' Scientific and Technological Innovation (''Climbing Program' Special Funds, pdjh2023b0145), the Research and Development Plan Project in Key Fields of Guangdong Province (2020B0101030005), the Applied special project of Guangdong Provincial Science and Technology Plan (2017B090917002), and the Basic and Applied Basic Research Fund of Guangdong Province (2019B1515120027). Furthermore, the authors would like to thank the Shiyanjia lab ( for the TEM test.
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[306.65, 500.83, 147.31, 7.96]Appendix A. Supplementary materialAppendix A. Supplementary material
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[306.6, 522.18, 251.04, 17.91]Supplementary data to this article can be found online at https://doi.org/10.1016/j.jechem.2023.05.014.Supplementary data to this article can be found online at
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[306.65, 554.06, 43.1, 7.96]ReferencesReferences
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