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"bbox": [ 37.59, 415.97, 77.77, 48.79 ], "page_size": { "width": 595.28, "height": 793.7 }, "text": "Keywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activity", "text_preview": "Keywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activity", "word_count": 10, "cleaned_text": "Keywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activity", "cleaned_text_preview": "Keywords: Li2MnO3 Metal-organic framework Oxygen vacancy Lithium-ion battery Electrochemical activity", "included_in_body": false, "body_decision_reason": "front_matter_heading", "parser_body_decision_reason": "front_matter_heading", "production_usage": "", "visual_asset_type": "", "visual_asset_label": "", "visual_asset_caption_preview": "", "visual_asset_anchor_ref": "", "inside_body_region": false, "body_region_id": null, "role_guess": "front_matter_heading", "zone": "front_matter", "column": 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169.21 ], "page_size": { "width": 595.28, "height": 793.7 }, "text": "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 \u0000 1 at 20 mA g \u0000 1 after 200 cycles and 100.1 mA h g \u0000 1 at 80 mA g \u0000 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.", "text_preview": "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. T…", "word_count": 241, "cleaned_text": "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 \u0000 1 at 20 mA g \u0000 1 after 200 cycles and 100.1 mA h g \u0000 1 at 80 mA g \u0000 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.", "cleaned_text_preview": "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. T…", "included_in_body": false, "body_decision_reason": "first_page_summary", "parser_body_decision_reason": "first_page_summary", "production_usage": "", "visual_asset_type": "", "visual_asset_label": "", "visual_asset_caption_preview": "", "visual_asset_anchor_ref": "", "inside_body_region": true, "body_region_id": "p1:body_region:0", "role_guess": "front_matter_candidate", "zone": "front_matter", "column": "column_2_of_3", "column_index": 2, "column_count": 3, "flags": { "docling_non_body_label": false, "page_margin_noise": false, "metadata_line": false, "affiliation_block": false, "reference_item": false, "body_sentence": true, "body_candidate": true, "body_heading": false, "heading_kind": null, "has_front_matter_zone": false, "visual_text": false, "publisher_landing_page": false, "caption_continuation_used_by_asset": false }, "background_rgb": [ 255, 255, 255 ], "page_background_rgb": [ 255, 255, 255 ], "background_delta": 0, "background_class": "white", "is_gray_background": false, "has_frame_evidence": false, "edge_dark_ratios": { "top": 0.161, "bottom": 0.017, "left": 0.103, "right": 0.064 }, "excluded_risk_level": "low", "region_id": "p1:front_matter:column_2_of_3:white", "truncation_marker": "" }, { "ref": "#/texts/21", "page": 1, "label": "text", "order": 21000, "source_page_order": 22, "layout_order": 15, "layout_page_order": 16, "bbox": [ 202.17, 532.25, 355.42, 18.23 ], "page_size": { "width": 595.28, "height": 793.7 }, "text": "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.", "text_preview": "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.", "word_count": 24, "cleaned_text": "Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press.", "cleaned_text_preview": "Ó 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. 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Introduction", "text_preview": "1. Introduction", "word_count": 2, "cleaned_text": "1. Introduction", "cleaned_text_preview": "1. Introduction", "included_in_body": false, "body_decision_reason": "body_heading", "parser_body_decision_reason": "body_heading", "production_usage": "", "visual_asset_type": "", "visual_asset_label": "", "visual_asset_caption_preview": "", "visual_asset_anchor_ref": "", "inside_body_region": false, "body_region_id": null, "role_guess": "body_heading", "zone": "body_zone", "column": "column_1_of_3", "column_index": 1, "column_count": 3, "flags": { "docling_non_body_label": false, "page_margin_noise": false, "metadata_line": false, "affiliation_block": false, "reference_item": false, "body_sentence": false, "body_candidate": false, "body_heading": true, "heading_kind": null, "has_front_matter_zone": false, "visual_text": false, "publisher_landing_page": false, "caption_continuation_used_by_asset": false }, "background_rgb": [ 255, 255, 255 ], "page_background_rgb": [ 255, 255, 255 ], "background_delta": 0, "background_class": "white", "is_gray_background": false, "has_frame_evidence": false, "edge_dark_ratios": { "top": 0.054, "bottom": 0.119, "left": 0.028, "right": 0.222 }, "excluded_risk_level": "low", "region_id": "p1:body_zone:column_1_of_3:white", "truncation_marker": "" }, { "ref": "#/texts/16", "page": 1, "label": "footnote", "order": 16000, "source_page_order": 17, "layout_order": 18, "layout_page_order": 19, "bbox": [ 42.07, 692.51, 78.23, 13.76 ], "page_size": { "width": 595.28, "height": 793.7 }, "text": "⇑ Corresponding authors.", "text_preview": "⇑ Corresponding authors.", "word_count": 3, "cleaned_text": "⇑ Corresponding authors.", "cleaned_text_preview": "⇑ Corresponding authors.", "included_in_body": false, "body_decision_reason": "first_page_metadata", "parser_body_decision_reason": "first_page_metadata", "production_usage": "", "visual_asset_type": "", "visual_asset_label": "", "visual_asset_caption_preview": "", "visual_asset_anchor_ref": "", "inside_body_region": false, "body_region_id": null, "role_guess": "footnote", "zone": "body_zone", "column": "column_1_of_3", "column_index": 1, "column_count": 3, "flags": { "docling_non_body_label": true, "page_margin_noise": false, "metadata_line": true, "affiliation_block": false, "reference_item": false, "body_sentence": false, "body_candidate": false, "body_heading": false, "heading_kind": null, "has_front_matter_zone": false, "visual_text": false, "publisher_landing_page": false, "caption_continuation_used_by_asset": false }, "background_rgb": [ 255, 255, 255 ], "page_background_rgb": [ 255, 255, 255 ], "background_delta": 0, "background_class": "white", "is_gray_background": false, "has_frame_evidence": false, "edge_dark_ratios": { "top": 0.067, "bottom": 0.185, "left": 0.05, "right": 0.05 }, "excluded_risk_level": "low", "region_id": "p1:body_zone:column_1_of_3:white", "truncation_marker": "" }, { "ref": "#/texts/17", "page": 1, "label": "footnote", "order": 17000, "source_page_order": 18, "layout_order": 19, "layout_page_order": 20, "bbox": [ 48.81, 705.11, 220.95, 5.93 ], "page_size": { "width": 595.28, "height": 793.7 }, "text": "E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. Cai).", "text_preview": "E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. Cai).", "word_count": 8, "cleaned_text": "E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. Cai).", "cleaned_text_preview": "E-mail addresses: linxm@scnu.edu.cn (X. Lin), caiyp@scnu.edu.cn (Y. 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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.", "text_preview": "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.", "word_count": 25, "cleaned_text": "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.", "cleaned_text_preview": "Fig. 3. 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(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.", "text_preview": "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.", "word_count": 21, "cleaned_text": "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.", "cleaned_text_preview": "Fig. 5. 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The cycling performance at 20 mA g \u0000 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 \u0000 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 \u0000 1 of (g) Ov-BDC-LMO, (h) Ov-BTC-LMO, and (i) Ov-PTC-LMO. Nyquist plots after 100 cycles at 20 mA g \u0000 1 for (j) (Ov-)BDC-LMO, (k) (Ov-)BTC-LMO, and (l) (Ov-)PTC-LMO.", "text_preview": "Fig. 6. The cycling performance at 20 mA g \u0000 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 \u0000 1 ) of (d) (Ov-)BDC-LMO, (e) …", "word_count": 98, "cleaned_text": "Fig. 6. The cycling performance at 20 mA g \u0000 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 \u0000 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 \u0000 1 of (g) Ov-BDC-LMO, (h) Ov-BTC-LMO, and (i) Ov-PTC-LMO. Nyquist plots after 100 cycles at 20 mA g \u0000 1 for (j) (Ov-)BDC-LMO, (k) (Ov-)BTC-LMO, and (l) (Ov-)PTC-LMO.", "cleaned_text_preview": "Fig. 6. The cycling performance at 20 mA g \u0000 1 for 200 loops of (a) (Ov-)BDC-LMO, (b) (Ov-)BTC-LMO, and (c) (Ov-)PTC-LMO. 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The CV curves for the first 3 cycles at 0.2 mV s \u0000 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 \u0000 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 \u0000 1 for (l) Ov-BDC-LMO, (m) Ov-BTC-LMO, and (n) Ov-PTC-LMO.", "text_preview": "Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s \u0000 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 a…", "word_count": 81, "cleaned_text": "Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s \u0000 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 \u0000 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 \u0000 1 for (l) Ov-BDC-LMO, (m) Ov-BTC-LMO, and (n) Ov-PTC-LMO.", "cleaned_text_preview": "Fig. 7. The CV curves for the first 3 cycles at 0.2 mV s \u0000 1 for (a) Ov-BDC-LMO, (b) Ov-BTC-LMO, (c) Ov-PTC-LMO, (d) BDC-LMO, (e) BTC-LMO, and (f) PTC-LMO. 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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.", "text_preview": "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 barrier…", "word_count": 64, "cleaned_text": "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. 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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.", "text_preview": "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 R…", "word_count": 78, "cleaned_text": "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). 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Supplementary material", "text_preview": "Appendix A. Supplementary material", "word_count": 4, "cleaned_text": "Appendix A. Supplementary material", "cleaned_text_preview": "Appendix A. 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"height": 793.7 }, "text": "R. 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