Pub Date : 2024-10-10DOI: 10.1016/j.jechem.2024.09.050
Hanchen Wang , Yingtian Liu , Mingze Jiang , Qiang Zhang
The demand for high safety and high reliability lithium-ion batteries (LIBs) is strongly considered for practical applications. However, due to their inherent self-discharge properties or abuse, LIBs face the threat of over-discharge, which induces premature end of life and increased risk of thermal runaway. In addition, a strong demand for batteries with zero-volt storage is strongly considered for aerospace and implantable medical devices. In this review, we firstly introduce the necessity and the importance of over-discharge and zero-volt protection for LIBs. The mechanism of damage to the Cu current collectors and SEI induced by potential changes during over-discharge is presented. The current over-discharge protection strategies based on whether the zero-crossing potential of the electrodes is summarized. Finally, the fresh insights into the material design of cathode prelithiation additives are presented from the perspective of over-discharge protection.
在实际应用中，对高安全性和高可靠性锂离子电池（LIBs）的需求日益强烈。然而，由于其固有的自放电特性或滥用，锂离子电池面临着过放电的威胁，这会导致电池过早报废，并增加热失控的风险。此外，航空航天和植入式医疗设备对零伏特存储电池的需求也非常强烈。在本综述中，我们首先介绍了锂离子电池过放电和零伏保护的必要性和重要性。介绍了过放电过程中电位变化对铜集流器和 SEI 造成损害的机理。总结了当前基于电极过零电位的过放电保护策略。最后，从过放电保护的角度介绍了阴极预锂化添加剂材料设计的新见解。
{"title":"A review of over-discharge protection through prelithiation in working lithium-ion batteries","authors":"Hanchen Wang , Yingtian Liu , Mingze Jiang , Qiang Zhang","doi":"10.1016/j.jechem.2024.09.050","DOIUrl":"10.1016/j.jechem.2024.09.050","url":null,"abstract":"<div><div>The demand for high safety and high reliability lithium-ion batteries (LIBs) is strongly considered for practical applications. However, due to their inherent self-discharge properties or abuse, LIBs face the threat of over-discharge, which induces premature end of life and increased risk of thermal runaway. In addition, a strong demand for batteries with zero-volt storage is strongly considered for aerospace and implantable medical devices. In this review, we firstly introduce the necessity and the importance of over-discharge and zero-volt protection for LIBs. The mechanism of damage to the Cu current collectors and SEI induced by potential changes during over-discharge is presented. The current over-discharge protection strategies based on whether the zero-crossing potential of the electrodes is summarized. Finally, the fresh insights into the material design of cathode prelithiation additives are presented from the perspective of over-discharge protection.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 437-452"},"PeriodicalIF":13.1,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The pursuit of alternative fuel generation technologies has gained momentum due to the diminishing reserves of fossil fuels and global warming from increased CO2 emission. Among the proposed methods, the hydrogenation of CO2 to produce marketable carbon-based products like methanol and ethanol is a practical approach that offers great potential to reduce CO2 emissions. Although significant volumes of methanol are currently produced from CO2, developing highly efficient and stable catalysts is crucial for further enhancing conversion and selectivity, thereby reducing process costs. An in-depth examination of the differences and similarities in the reaction pathways for methanol and ethanol production highlights the key factors that drive C–C coupling. Identifying these factors guides us toward developing more effective catalysts for ethanol synthesis. In this paper, we explore how different catalysts, through the production of various intermediates, can initiate the synthesis of methanol or ethanol. The catalytic mechanisms proposed by spectroscopic techniques and theoretical calculations, including operando X-ray methods, FTIR analysis, and DFT calculations, are summarized and presented. The following discussion explores the structural properties and composition of catalysts that influence C–C coupling and optimize the conversion rate of CO2 into ethanol. Lastly, the review examines recent catalysts employed for selective methanol and ethanol production, focusing on single-atom catalysts.
{"title":"Exploring catalyst developments in heterogeneous CO2 hydrogenation to methanol and ethanol: A journey through reaction pathways","authors":"Rasoul Salami , Yimin Zeng , Xue Han , Sohrab Rohani , Ying Zheng","doi":"10.1016/j.jechem.2024.08.069","DOIUrl":"10.1016/j.jechem.2024.08.069","url":null,"abstract":"<div><div>The pursuit of alternative fuel generation technologies has gained momentum due to the diminishing reserves of fossil fuels and global warming from increased CO<sub>2</sub> emission. Among the proposed methods, the hydrogenation of CO<sub>2</sub> to produce marketable carbon-based products like methanol and ethanol is a practical approach that offers great potential to reduce CO<sub>2</sub> emissions. Although significant volumes of methanol are currently produced from CO<sub>2</sub>, developing highly efficient and stable catalysts is crucial for further enhancing conversion and selectivity, thereby reducing process costs. An in-depth examination of the differences and similarities in the reaction pathways for methanol and ethanol production highlights the key factors that drive C–C coupling. Identifying these factors guides us toward developing more effective catalysts for ethanol synthesis. In this paper, we explore how different catalysts, through the production of various intermediates, can initiate the synthesis of methanol or ethanol. The catalytic mechanisms proposed by spectroscopic techniques and theoretical calculations, including operando X-ray methods, FTIR analysis, and DFT calculations, are summarized and presented. The following discussion explores the structural properties and composition of catalysts that influence C–C coupling and optimize the conversion rate of CO<sub>2</sub> into ethanol. Lastly, the review examines recent catalysts employed for selective methanol and ethanol production, focusing on single-atom catalysts.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 345-384"},"PeriodicalIF":13.1,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Iodine is widely used in aqueous zinc batteries (ZBs) due to its abundant resources, low cost, and active redox reactions. In addition to the active material in zinc-iodine batteries, iodine also plays an important role in other ZBs, such as regulating the electrochemical behavior of zinc ions, promoting the reaction kinetic and reversibility of other redox pairs, catalytic behaviors related to iodine reactions, coupling with other halogen ions, shuttle behaviors of polyiodides, etc. However, there is currently a lack of comprehensive discussion on these aspects. Here, this review provides a comprehensive overview of the electrochemical behaviors of iodide in the aqueous ZBs. The effect of iodine ions on the Zn2+ desolvation behaviors and the interfacial behaviors of Zn anode was summarized. Iodine redox pairs boosting other redox pairs, such as MnO2/Mn2+ redox pair and vanadium redox pair to obtain high reversibility and capacity was also discussed. Moreover, the catalytic behaviors related to iodine reactions in aqueous ZBs, synergistic reaction with other halogen ions and suppression of shuttle behaviors for high performance zinc-iodine batteries were systematically analyzed. Finally, future prospects for designing effective iodine electrochemical behaviors with practicability are proposed, which will provide scientific guidance for the practical application of iodine-related aqueous ZBs.
{"title":"Understanding the iodine electrochemical behaviors in aqueous zinc batteries","authors":"Xuefang Xie , Xiaoxin Xu , Shuquan Liang , Guozhao Fang","doi":"10.1016/j.jechem.2024.09.049","DOIUrl":"10.1016/j.jechem.2024.09.049","url":null,"abstract":"<div><div>Iodine is widely used in aqueous zinc batteries (ZBs) due to its abundant resources, low cost, and active redox reactions. In addition to the active material in zinc-iodine batteries, iodine also plays an important role in other ZBs, such as regulating the electrochemical behavior of zinc ions, promoting the reaction kinetic and reversibility of other redox pairs, catalytic behaviors related to iodine reactions, coupling with other halogen ions, shuttle behaviors of polyiodides, etc. However, there is currently a lack of comprehensive discussion on these aspects. Here, this review provides a comprehensive overview of the electrochemical behaviors of iodide in the aqueous ZBs. The effect of iodine ions on the Zn<sup>2+</sup> desolvation behaviors and the interfacial behaviors of Zn anode was summarized. Iodine redox pairs boosting other redox pairs, such as MnO<sub>2</sub>/Mn<sup>2+</sup> redox pair and vanadium redox pair to obtain high reversibility and capacity was also discussed. Moreover, the catalytic behaviors related to iodine reactions in aqueous ZBs, synergistic reaction with other halogen ions and suppression of shuttle behaviors for high performance zinc-iodine batteries were systematically analyzed. Finally, future prospects for designing effective iodine electrochemical behaviors with practicability are proposed, which will provide scientific guidance for the practical application of iodine-related aqueous ZBs.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 402-415"},"PeriodicalIF":13.1,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552554","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-04DOI: 10.1016/j.jechem.2024.09.048
Yangping Chen , Bolin Sun , Guoqing Zhang , Siyuan Ni , Canbing Li , Juxiong Tian , Yanrui Zhang , Xinxi Li
Magnesium hydride (MgH2) is an important material for hydrogen (H2) storage and transportation owing to its high capacity and reversibility. However, its intrinsic properties have considerably limited its industrial application. In this study, the NiFe-800 catalyst as metal-organic framework (MOF) derivative was first utilized to promote the intrinsic properties of MgH2. Compared to pure MgH2, which releases 1.24 wt% H2 in 60 min at 275 °C, the MgH2-10 NiFe-800 composite releases 5.85 wt% H2 in the same time. Even at a lower temperature of 250 °C, the MgH2-10 NiFe-800 composite releases 3.57 wt% H2, surpassing the performance of pure MgH2 at 275 °C. Correspondingly, while pure MgH2 absorbs 2.08 wt% H2 in 60 min at 125 °C, the MgH2-10 NiFe-800 composite absorbs 5.35 wt% H2 in just 1 min. Remarkably, the MgH2-10 NiFe-800 composite absorbs 2.27 wt% H2 in 60 min at 50 °C and 4.64 wt% H2 at 75 °C. This indicates that MgH2-10 NiFe-800 exhibits optimum performance with excellent kinetics at low temperatures. Furthermore, the capacity of the MgH2-10 NiFe-800 composite remains largely stable after 10 cycles. Moreover, the Mg2Ni/Mg2NiH4 acts as a “hydrogen pump”, providing effective diffusion channels that enhance the kinetic process of the composite during cycling. Additionally, Fe0 facilitates electron transfer and creates hydrogen diffusion channels and catalytic sites. Finally, carbon (C) effectively prevents particle agglomeration and maintains the cyclic stability of the composites. Consequently, the synergistic effects of Mg2Ni/Mg2NiH4, Fe0, and C considerably improve the kinetic properties and cycling stability of MgH2. This work offers an effective and valuable approach to improving the hydrogen storage efficiency in the commercial application of MgH2.
{"title":"MOF-derived Ni3Fe/Ni/NiFe2O4@C for enhanced hydrogen storage performance of MgH2","authors":"Yangping Chen , Bolin Sun , Guoqing Zhang , Siyuan Ni , Canbing Li , Juxiong Tian , Yanrui Zhang , Xinxi Li","doi":"10.1016/j.jechem.2024.09.048","DOIUrl":"10.1016/j.jechem.2024.09.048","url":null,"abstract":"<div><div>Magnesium hydride (MgH<sub>2</sub>) is an important material for hydrogen (H<sub>2</sub>) storage and transportation owing to its high capacity and reversibility. However, its intrinsic properties have considerably limited its industrial application. In this study, the NiFe-800 catalyst as metal-organic framework (MOF) derivative was first utilized to promote the intrinsic properties of MgH<sub>2</sub>. Compared to pure MgH<sub>2</sub>, which releases 1.24 wt% H<sub>2</sub> in 60 min at 275 °C, the MgH<sub>2</sub>-10 NiFe-800 composite releases 5.85 wt% H<sub>2</sub> in the same time. Even at a lower temperature of 250 °C, the MgH<sub>2</sub>-10 NiFe-800 composite releases 3.57 wt% H<sub>2</sub>, surpassing the performance of pure MgH<sub>2</sub> at 275 °C. Correspondingly, while pure MgH<sub>2</sub> absorbs 2.08 wt% H<sub>2</sub> in 60 min at 125 °C, the MgH<sub>2</sub>-10 NiFe-800 composite absorbs 5.35 wt% H<sub>2</sub> in just 1 min. Remarkably, the MgH<sub>2</sub>-10 NiFe-800 composite absorbs 2.27 wt% H<sub>2</sub> in 60 min at 50 °C and 4.64 wt% H<sub>2</sub> at 75 °C. This indicates that MgH<sub>2</sub>-10 NiFe-800 exhibits optimum performance with excellent kinetics at low temperatures. Furthermore, the capacity of the MgH<sub>2</sub>-10 NiFe-800 composite remains largely stable after 10 cycles. Moreover, the Mg<sub>2</sub>Ni/Mg<sub>2</sub>NiH<sub>4</sub> acts as a “hydrogen pump”, providing effective diffusion channels that enhance the kinetic process of the composite during cycling. Additionally, Fe<sup>0</sup> facilitates electron transfer and creates hydrogen diffusion channels and catalytic sites. Finally, carbon (C) effectively prevents particle agglomeration and maintains the cyclic stability of the composites. Consequently, the synergistic effects of Mg<sub>2</sub>Ni/Mg<sub>2</sub>NiH<sub>4</sub>, Fe<sup>0</sup>, and C considerably improve the kinetic properties and cycling stability of MgH<sub>2</sub>. This work offers an effective and valuable approach to improving the hydrogen storage efficiency in the commercial application of MgH<sub>2</sub>.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 333-344"},"PeriodicalIF":13.1,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-04DOI: 10.1016/j.jechem.2024.09.047
Qianzhi Gou , Horan Luo , Long Qu , Feilin Yu , Kaixin Wang , Sida Zhang , Ziga Luogu , Ben Zhang , Yujie Zheng , Bingye Song , John Wang , Meng Li
Uncontrolled dendrite growth, sluggish reaction kinetics, and drastic side reactions on the anode-electrolyte interface are the main obstacles that restrict the application prospect of aqueous zinc-ion batteries. Traditional glass fiber (GF) separator with chemical inertness is almost ineffective in restricting these challenges. Herein, inspired by the ionic enrichment behavior of seaweed plants, a facile biomass species, anionic sodium alginate (SA), is purposely decorated on the commercial GF separator to tackle these issues towards Zn anode. Benefiting from the abundant zincophilic functional groups and superior mechanical strength properties, the as-obtained SA@GF separator could act as ion pump to boost the Zn2+ transference number (0.68), reduce the de-solvation energy barrier of hydrated Zn2+, and eliminate the undesired concentration polarization effect, which are verified by experimental tests, theoretical calculations, and finite element simulation, respectively. Based on these efficient modulation mechanisms, the SA@GF separator can synchronously achieve well-aligned Zn deposition and the suppression of parasitic side-reactions. Therefore, the Zn||Zn coin cell integrated with SA@GF separator could yield a prolonged calendar lifespan over 1230 h (1 mA cm−2 and 1 mAh cm−2), exhibiting favorable competitiveness with previously reported separator modification strategies. Impressively, the Zn-MnO2 full and pouch cell assembled with the SA@GF separator also delivered superior cycling stability and rate performance, further verifying its practical application effect. This work provides a new design philosophy to stabilize the Zn anode from the aspect of separator.
{"title":"A seaweed-inspired separator for high performance Zn metal batteries: Boosting kinetics and confining side-reactions","authors":"Qianzhi Gou , Horan Luo , Long Qu , Feilin Yu , Kaixin Wang , Sida Zhang , Ziga Luogu , Ben Zhang , Yujie Zheng , Bingye Song , John Wang , Meng Li","doi":"10.1016/j.jechem.2024.09.047","DOIUrl":"10.1016/j.jechem.2024.09.047","url":null,"abstract":"<div><div>Uncontrolled dendrite growth, sluggish reaction kinetics, and drastic side reactions on the anode-electrolyte interface are the main obstacles that restrict the application prospect of aqueous zinc-ion batteries. Traditional glass fiber (GF) separator with chemical inertness is almost ineffective in restricting these challenges. Herein, inspired by the ionic enrichment behavior of seaweed plants, a facile biomass species, anionic sodium alginate (SA), is purposely decorated on the commercial GF separator to tackle these issues towards Zn anode. Benefiting from the abundant zincophilic functional groups and superior mechanical strength properties, the as-obtained SA@GF separator could act as ion pump to boost the Zn<sup>2+</sup> transference number (0.68), reduce the de-solvation energy barrier of hydrated Zn<sup>2+</sup>, and eliminate the undesired concentration polarization effect, which are verified by experimental tests, theoretical calculations, and finite element simulation, respectively. Based on these efficient modulation mechanisms, the SA@GF separator can synchronously achieve well-aligned Zn deposition and the suppression of parasitic side-reactions. Therefore, the Zn||Zn coin cell integrated with SA@GF separator could yield a prolonged calendar lifespan over 1230 h (1 mA cm<sup>−2</sup> and 1 mAh cm<sup>−2</sup>), exhibiting favorable competitiveness with previously reported separator modification strategies. Impressively, the Zn-MnO<sub>2</sub> full and pouch cell assembled with the SA@GF separator also delivered superior cycling stability and rate performance, further verifying its practical application effect. This work provides a new design philosophy to stabilize the Zn anode from the aspect of separator.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 191-200"},"PeriodicalIF":13.1,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Despite sulfurization offers the advantage of improving the photovoltaic performance in preparing Cu(In,Ga)Se2 (CIGS) absorbers, deep level defects in the absorber and poor energy level alignment on the front surface are still main obstacles limiting the improvement of power conversion efficiency (PCE) in sulfided CIGS solar cells. Herein, an in-situ Na doping strategy is proposed, in which the tailing effect of crystal growth is used to promote the sulfurization of CIGS absorbers. It is found that the grain growth is supported by Na incorporating due to the enrichment of NaSex near the upper surface. The high soluble Na during grain growth can not only suppress intrinsic InCu donor defects in the absorber, but also tailor S distribution in bulk and the band alignment at the heterojunction, which are both beneficial for the effective electron carriers. Meanwhile, the Na aggregation near the bottom of the absorber also contributes to the crystalline quality increasing and favorable ultra-thin MoSe2 formation at back contact, resulting in a reduced barrier height conducive to hole transport. PCE of the champion device is as high as 16.76% with a 28% increase. This research offers new insights into synthesizing CIGS solar cells and other chalcogenide solar cells with superior cell performance when using an intense sulfurization process.
尽管在制备 Cu(In,Ga)Se2 (CIGS) 吸收体时，硫化具有改善光电性能的优势，但吸收体中的深层次缺陷和前表面能级排列不良仍然是限制硫化 CIGS 太阳能电池功率转换效率 (PCE) 提高的主要障碍。本文提出了一种原位 Na 掺杂策略，即利用晶体生长的拖尾效应促进 CIGS 吸收体的硫化。研究发现，由于上表面附近 NaSex 的富集，Na 的掺入支持了晶粒的生长。晶粒生长过程中高溶解度的 Na 不仅能抑制吸收体中固有的 InCu 供体缺陷，还能定制 S 在体中的分布和异质结的带排列，这都有利于有效电子载流子的产生。同时，吸收体底部附近的 Na 聚集也有助于晶体质量的提高和背面接触处超薄 MoSe2 的形成，从而降低了有利于空穴传输的势垒高度。冠军器件的 PCE 高达 16.76%，提高了 28%。这项研究为合成 CIGS 太阳能电池和其他钙钛矿太阳能电池提供了新的视角，使其在使用强硫化工艺时具有更优越的电池性能。
{"title":"Efficiency improvement for post-sulfurized CIGS solar cells enabled by in situ Na doping","authors":"Zeran Gao, Yuchen Xiong, Jiawen Wang, Shanshan Tian, Wanlei Dai, Haoyu Xu, Xinzhan Wang, Chao Gao, Yali Sun, Wei Yu","doi":"10.1016/j.jechem.2024.09.046","DOIUrl":"10.1016/j.jechem.2024.09.046","url":null,"abstract":"<div><div>Despite sulfurization offers the advantage of improving the photovoltaic performance in preparing Cu(In,Ga)Se<sub>2</sub> (CIGS) absorbers, deep level defects in the absorber and poor energy level alignment on the front surface are still main obstacles limiting the improvement of power conversion efficiency (PCE) in sulfided CIGS solar cells. Herein, an in-situ Na doping strategy is proposed, in which the tailing effect of crystal growth is used to promote the sulfurization of CIGS absorbers. It is found that the grain growth is supported by Na incorporating due to the enrichment of NaSe<em><sub>x</sub></em> near the upper surface. The high soluble Na during grain growth can not only suppress intrinsic In<sub>Cu</sub> donor defects in the absorber, but also tailor S distribution in bulk and the band alignment at the heterojunction, which are both beneficial for the effective electron carriers. Meanwhile, the Na aggregation near the bottom of the absorber also contributes to the crystalline quality increasing and favorable ultra-thin MoSe<sub>2</sub> formation at back contact, resulting in a reduced barrier height conducive to hole transport. PCE of the champion device is as high as 16.76% with a 28% increase. This research offers new insights into synthesizing CIGS solar cells and other chalcogenide solar cells with superior cell performance when using an intense sulfurization process.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 324-332"},"PeriodicalIF":13.1,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-02DOI: 10.1016/j.jechem.2024.09.042
Yanting Jiang , Weiyu Wang , Zhirong Chen , Zhenyu Fang , Qiqiang Zhu , Qiao Zheng , Jionghua Wu , Hui Deng , Weihuang Wang , Shuying Cheng
Sb2Se3 solar cells have achieved a power conversion efficiency (PCE) of over 10%. However, the serious open-circuit voltage deficit (VOC-deficit), induced by the hard-to-control crystal orientation and heterojunction interface reaction, limits the PCE of vapor transport deposition (VTD) processed Sb2Se3 solar cells. To overcome the VOC-deficit problem of VTD processed Sb2Se3 solar cells, herein, an in-situ bandgap regulation strategy is innovatively proposed to prepare a wide band gap Sb2(S,Se)3 seed layer (WBSL) at CdS/Sb2Se3 heterojunction interface to improve the PCE of Sb2Se3 solar cells. The analysis results show that the introduced Sb2(S,Se)3 seed layer can enhance the [001] orientation of Sb2Se3 thin films, broaden the band gap of heterojunction interface, and realize a “Spike-like” conduction band alignment with ΔEc = 0.11 eV. In addition, thanks to the suppressed CdS/Sb2Se3 interface reaction after WBSL application, the depletion region width of Sb2Se3 solar cells is widened, and the quality of CdS/Sb2Se3 interface and the carrier transporting performance of Sb2Se3 solar cells are significantly improved as well. Moreover, the harmful Se vacancy defects near the front interface of Sb2Se3 solar cells can be greatly diminished by WBSL. Finally, the PCE of Sb2Se3 solar cells is improved from 7.0% to 7.6%; meanwhile the VOC is increased to 466 mV which is the highest value for the VTD derived Sb2Se3 solar cells. This work will provide a valuable reference for the interface and orientation regulation of antimony-based chalcogenide solar cells.
{"title":"In situ seed layer bandgap engineering leading to the conduction band offset reversion and efficient Sb2Se3 solar cells with high open-circuit voltage","authors":"Yanting Jiang , Weiyu Wang , Zhirong Chen , Zhenyu Fang , Qiqiang Zhu , Qiao Zheng , Jionghua Wu , Hui Deng , Weihuang Wang , Shuying Cheng","doi":"10.1016/j.jechem.2024.09.042","DOIUrl":"10.1016/j.jechem.2024.09.042","url":null,"abstract":"<div><div>Sb<sub>2</sub>Se<sub>3</sub> solar cells have achieved a power conversion efficiency (PCE) of over 10%. However, the serious open-circuit voltage deficit (<em>V</em><sub>OC</sub>-deficit), induced by the hard-to-control crystal orientation and heterojunction interface reaction, limits the PCE of vapor transport deposition (VTD) processed Sb<sub>2</sub>Se<sub>3</sub> solar cells. To overcome the <em>V</em><sub>OC</sub>-deficit problem of VTD processed Sb<sub>2</sub>Se<sub>3</sub> solar cells, herein, an in-situ bandgap regulation strategy is innovatively proposed to prepare a wide band gap Sb<sub>2</sub>(S,Se)<sub>3</sub> seed layer (WBSL) at CdS/Sb<sub>2</sub>Se<sub>3</sub> heterojunction interface to improve the PCE of Sb<sub>2</sub>Se<sub>3</sub> solar cells. The analysis results show that the introduced Sb<sub>2</sub>(S,Se)<sub>3</sub> seed layer can enhance the [001] orientation of Sb<sub>2</sub>Se<sub>3</sub> thin films, broaden the band gap of heterojunction interface, and realize a “Spike-like” conduction band alignment with Δ<em>E</em><sub>c</sub> = 0.11 eV. In addition, thanks to the suppressed CdS/Sb<sub>2</sub>Se<sub>3</sub> interface reaction after WBSL application, the depletion region width of Sb<sub>2</sub>Se<sub>3</sub> solar cells is widened, and the quality of CdS/Sb<sub>2</sub>Se<sub>3</sub> interface and the carrier transporting performance of Sb<sub>2</sub>Se<sub>3</sub> solar cells are significantly improved as well. Moreover, the harmful Se vacancy defects near the front interface of Sb<sub>2</sub>Se<sub>3</sub> solar cells can be greatly diminished by WBSL. Finally, the PCE of Sb<sub>2</sub>Se<sub>3</sub> solar cells is improved from 7.0% to 7.6%; meanwhile the <em>V</em><sub>OC</sub> is increased to 466 mV which is the highest value for the VTD derived Sb<sub>2</sub>Se<sub>3</sub> solar cells. This work will provide a valuable reference for the interface and orientation regulation of antimony-based chalcogenide solar cells.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 201-212"},"PeriodicalIF":13.1,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-02DOI: 10.1016/j.jechem.2024.09.040
Xuejun Xu, Rutao Meng, Yue Liu, Han Xu, Jianpeng Li, Yi Zhang
Solution-processed chalcopyrite solar cells are widely regarded as a promising alternative method in reducing the cost compared with vacuum-based techniques. It is noted that the absorber layer usually needs to be prepared under a high insert pressure (∼1.6 atm) to suppress element loss or under a mild pressure but additional surface etching is needed for fabricating high efficient solar cell. Herein, a copper gradient structured precursor is proposed to prepare CuIn(S,Se)2 (CISSe) film under a mild pressure (1.1 atm). The designed gradient Cu not only promotes crystal grain growth and tailors the defects, but also avoids the surface etching of the formed CISSe film for the fabrication of high efficient solar cells. Further, Cu gradient design decreases the conduction band offset of heterojunction, boosting the carriers transport across the p-n heterojunction. Accordingly, a 13.35% efficient CISSe solar cell, comparable to the high efficient CISSe solar cell prepared by this method under high pressure or with film surface etching, is fabricated. This work provides a facile pathway to fabricate high efficient solution-processed chalcopyrite solar cell, avoiding high selenization pressure and film etching, and shows huge potential for solution-processed copper-based solar cells.
{"title":"Cu gradient design to attain high efficient solution-processed CuIn(S,Se)2 solar cells","authors":"Xuejun Xu, Rutao Meng, Yue Liu, Han Xu, Jianpeng Li, Yi Zhang","doi":"10.1016/j.jechem.2024.09.040","DOIUrl":"10.1016/j.jechem.2024.09.040","url":null,"abstract":"<div><div>Solution-processed chalcopyrite solar cells are widely regarded as a promising alternative method in reducing the cost compared with vacuum-based techniques. It is noted that the absorber layer usually needs to be prepared under a high insert pressure (∼1.6 atm) to suppress element loss or under a mild pressure but additional surface etching is needed for fabricating high efficient solar cell. Herein, a copper gradient structured precursor is proposed to prepare CuIn(S,Se)<sub>2</sub> (CISSe) film under a mild pressure (1.1 atm). The designed gradient Cu not only promotes crystal grain growth and tailors the defects, but also avoids the surface etching of the formed CISSe film for the fabrication of high efficient solar cells. Further, Cu gradient design decreases the conduction band offset of heterojunction, boosting the carriers transport across the p-n heterojunction. Accordingly, a 13.35% efficient CISSe solar cell, comparable to the high efficient CISSe solar cell prepared by this method under high pressure or with film surface etching, is fabricated. This work provides a facile pathway to fabricate high efficient solution-processed chalcopyrite solar cell, avoiding high selenization pressure and film etching, and shows huge potential for solution-processed copper-based solar cells.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 213-222"},"PeriodicalIF":13.1,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142530527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-02DOI: 10.1016/j.jechem.2024.09.044
Bin He , Yujie Dai , Shuai Jiang , Dawei Chen , Xilong Wang , Jie Song , Dan Xiao , Qian Zhao , Yan Meng , Wei Feng
Oxygen release and electrolyte decomposition under high voltage endlessly exacerbate interfacial ramifications and structural degradation of high energy-density Li-rich layered oxide (LLO), leading to voltage and capacity fading. Herein, the dual-strategy of CrxB complex coating and local gradient doping is simultaneously achieved on LLO surface by a one-step wet chemical reaction at room temperature. Density functional theory (DFT) calculations prove that stable B–O and Cr–O bonds through the local gradient doping can significantly reduce the high-energy O 2p states of interfacial lattice O, which is also effective for the near-surface lattice O, thus greatly stabilizing the LLO surface. Besides, differential electrochemical mass spectrometry (DEMS) indicates that the CrxB complex coating can adequately inhibit oxygen release and prevents the migration or dissolution of transition metal ions, including allowing speedy Li+ migration. The voltage and capacity fading of the modified cathode (LLO-CrB) are adequately suppressed, which are benefited from the uniformly dense cathode electrolyte interface (CEI) composed of balanced organic/inorganic composition. Therefore, the specific capacity of LLO-CrB after 200 cycles at 1C is 209.3 mA h g−1 (with a retention rate of 95.1%). This dual-strategy through a one-step wet chemical reaction is expected to be applied in the design and development of other anionic redox cathode materials.
高电压下的氧释放和电解质分解会无休止地加剧高能量密度富锂层状氧化物（LLO）的界面恶化和结构退化，从而导致电压和容量衰减。在这里，通过室温下的一步湿化学反应，在 LLO 表面同时实现了 CrxB 复合物涂层和局部梯度掺杂的双重策略。密度泛函理论（DFT）计算证明，通过局部梯度掺杂形成稳定的B-O和Cr-O键，可显著降低界面晶格O的高能O 2p态，这对近表面晶格O也同样有效，从而极大地稳定了LLO表面。此外，差分电化学质谱法（DEMS）表明，CrxB 复合物涂层能充分抑制氧的释放，防止过渡金属离子的迁移或溶解，包括允许 Li+ 快速迁移。改性阴极（LLO-CrB）的电压和容量衰减得到了充分抑制，这得益于由平衡的有机/无机成分组成的均匀致密的阴极电解质界面（CEI）。因此，在 1C 下循环 200 次后，LLO-CrB 的比容量为 209.3 mA h g-1（保持率为 95.1%）。这种通过一步湿化学反应实现的双重策略有望应用于其他阴离子氧化还原阴极材料的设计和开发。
{"title":"Achievable dual-strategy to stabilize Li-rich layered oxide interface by a one-step wet chemical reaction towards long oxygen redox reversibility","authors":"Bin He , Yujie Dai , Shuai Jiang , Dawei Chen , Xilong Wang , Jie Song , Dan Xiao , Qian Zhao , Yan Meng , Wei Feng","doi":"10.1016/j.jechem.2024.09.044","DOIUrl":"10.1016/j.jechem.2024.09.044","url":null,"abstract":"<div><div>Oxygen release and electrolyte decomposition under high voltage endlessly exacerbate interfacial ramifications and structural degradation of high energy-density Li-rich layered oxide (LLO), leading to voltage and capacity fading. Herein, the dual-strategy of Cr<em><sub>x</sub></em>B complex coating and local gradient doping is simultaneously achieved on LLO surface by a one-step wet chemical reaction at room temperature. Density functional theory (DFT) calculations prove that stable B–O and Cr–O bonds through the local gradient doping can significantly reduce the high-energy O 2<em>p</em> states of interfacial lattice O, which is also effective for the near-surface lattice O, thus greatly stabilizing the LLO surface. Besides, differential electrochemical mass spectrometry (DEMS) indicates that the Cr<em><sub>x</sub></em>B complex coating can adequately inhibit oxygen release and prevents the migration or dissolution of transition metal ions, including allowing speedy Li<sup>+</sup> migration. The voltage and capacity fading of the modified cathode (LLO-CrB) are adequately suppressed, which are benefited from the uniformly dense cathode electrolyte interface (CEI) composed of balanced organic/inorganic composition. Therefore, the specific capacity of LLO-CrB after 200 cycles at 1C is 209.3 mA h g<sup>−1</sup> (with a retention rate of 95.1%). This dual-strategy through a one-step wet chemical reaction is expected to be applied in the design and development of other anionic redox cathode materials.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 120-131"},"PeriodicalIF":13.1,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142530537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-02DOI: 10.1016/j.jechem.2024.09.045
Zhengru Yang , Jia Hui , Wangxi Fan , Pengcheng Liu , Chunyong Zhang , Shuang Dong , Zhou Yang
It is very appealing that 5-hydroxymethylfurfural (HMF) is electrocatalytical oxidized as 2,5-furandicarboxylic acid (FDCA) linking to non-classical cathodic hydrogen (H2) production. However, the electrocatalysts for electrocatalytic HMF oxidative reaction (e-HMFOR) have been facing low Faradaic efficiency (FE) and high water splitting voltage. Herein, we propose a strategy of the NiSeO3@(CoSeO3)4 heterojunction by constructing a Co-Ni paired site, where the Co site is in charge of adsorbing for HMF while the electrons are transferred to the Ni site, thus giving the NiSeO3@(CoSeO3)4 heterojunction superior electrocatalytic performances for e-HMFOR and water splitting. By optimizing conditions, the NiSeO3@(CoSeO3)4 heterojunction has high conversion of 99.7%, high selectivity of 99.9%, and high FE of 98.4% at 1.3 V, as well as low cell voltage of 1.31 V at 10 mA cm−2 in 1 M KOH + 0.1 M HMF. This study offers a potential insight for e-HMFOR to high value-added FDCA coupling water splitting to produce H2 in an economical manner.
5-hydroxymethylfurfural (HMF) 通过电催化氧化为 2,5-呋喃二甲酸 (FDCA)，从而产生非典型阴极氢气 (H2)，这一点非常吸引人。然而，用于电催化 HMF 氧化反应（e-HMFOR）的电催化剂一直面临着法拉第效率（FE）低和分水电压高的问题。在此，我们提出了一种 NiSeO3@(CoSeO3)4异质结的策略，即构建 Co-Ni 配对位点，其中 Co 位点负责吸附 HMF，而电子则转移到 Ni 位点，从而使 NiSeO3@(CoSeO3)4异质结在 e-HMFOR 和水分离方面具有优异的电催化性能。通过优化条件，NiSeO3@(CoSeO3)4 异质结在 1.3 V 的电压下具有 99.7% 的高转化率、99.9% 的高选择性和 98.4% 的高 FE，同时在 1 M KOH + 0.1 M HMF 的条件下，10 mA cm-2 的电池电压低至 1.31 V。这项研究为 e-HMFOR 以经济的方式实现高附加值 FDCA 耦合水分裂制取 H2 提供了潜在的启示。
{"title":"Selenate-based heterojunction with cobalt–nickel paired site for electrocatalytic oxidation of 5-hydroxymethylfurfural coupling water splitting to produce hydrogen","authors":"Zhengru Yang , Jia Hui , Wangxi Fan , Pengcheng Liu , Chunyong Zhang , Shuang Dong , Zhou Yang","doi":"10.1016/j.jechem.2024.09.045","DOIUrl":"10.1016/j.jechem.2024.09.045","url":null,"abstract":"<div><div>It is very appealing that 5-hydroxymethylfurfural (HMF) is electrocatalytical oxidized as 2,5-furandicarboxylic acid (FDCA) linking to non-classical cathodic hydrogen (H<sub>2</sub>) production. However, the electrocatalysts for electrocatalytic HMF oxidative reaction (e-HMFOR) have been facing low Faradaic efficiency (<em>FE</em>) and high water splitting voltage. Herein, we propose a strategy of the NiSeO<sub>3</sub>@(CoSeO<sub>3</sub>)<sub>4</sub> heterojunction by constructing a Co-Ni paired site, where the Co site is in charge of adsorbing for HMF while the electrons are transferred to the Ni site, thus giving the NiSeO<sub>3</sub>@(CoSeO<sub>3</sub>)<sub>4</sub> heterojunction superior electrocatalytic performances for e-HMFOR and water splitting. By optimizing conditions, the NiSeO<sub>3</sub>@(CoSeO<sub>3</sub>)<sub>4</sub> heterojunction has high conversion of 99.7%, high selectivity of 99.9%, and high <em>FE</em> of 98.4% at 1.3 V, as well as low cell voltage of 1.31 V at 10 mA cm<sup>−2</sup> in 1 M KOH + 0.1 M HMF. This study offers a potential insight for e-HMFOR to high value-added FDCA coupling water splitting to produce H<sub>2</sub> in an economical manner.</div></div>","PeriodicalId":15728,"journal":{"name":"Journal of Energy Chemistry","volume":"101 ","pages":"Pages 156-162"},"PeriodicalIF":13.1,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142530531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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