Pub Date : 2024-08-08DOI: 10.1016/j.mtener.2024.101661
Henghui Chen, Jing Wang, Yuan Zhao, Xuefeng Zhou, Heran Yang, Yan Li, Yingmei Li, Ehsan Alborzi, Xue Yong, John S. Tse
Transition metal singlet embedded in nitrogen-doped carbon material (M-N-C) has been demonstrated as a promising electrochemical oxygen reduction reaction (ORR) catalyst; however, the unsatisfying activity and production selectivity have hampered its widespread applications in energy storage and conversion technologies. Herein, interface engineering by facilitating M-N-C catalysts (M from 3d to 4d electron-containing elements) with MXene has been utilized to regulate their ORR performance. It is found that the charge transfer occurring within the interface not only tunes the electron occupancy of the 3d/4d orbitals of the metal site, but also delocalizes the population of the d states. This alternation enhances the mobility of the electrons and promotes the 4e catalytic process thermodynamically. Meanwhile, the formation of ∗HOOH, the key reaction intermediate for 2e reaction, is hindered due to the alleviation of the binding capacity, which is beneficial to improve production selectivity. This study provides foundational understanding for the ORR catalytic mechanism at the atomic level and opens up new avenues for designing high-demanded electrocatalysts.
嵌入掺氮碳材料（M-N-C）中的过渡金属单质已被证明是一种前景广阔的电化学氧还原反应（ORR）催化剂；然而，由于活性和生产选择性不尽人意，阻碍了其在能源储存和转换技术中的广泛应用。在此，通过促进 M-N-C 催化剂（M 从 3d 到 4d 含电子元素）与 MXene 的界面工程来调节其 ORR 性能。研究发现，在界面内发生的电荷转移不仅调整了金属位点 3d/4d 轨道的电子占有率，而且还使 d 态的电子群失调。这种交替增强了电子的流动性，并在热力学上促进了 4e 催化过程。同时，由于结合能力的减弱，2e 反应的关键反应中间体 ∗HOOH 的形成受到阻碍，有利于提高生产选择性。这项研究为从原子水平理解 ORR 催化机理提供了基础，为设计高要求的电催化剂开辟了新的途径。
{"title":"Interface engineering of the dz2 electrons mobility for single atom catalytic activity and selectivity","authors":"Henghui Chen, Jing Wang, Yuan Zhao, Xuefeng Zhou, Heran Yang, Yan Li, Yingmei Li, Ehsan Alborzi, Xue Yong, John S. Tse","doi":"10.1016/j.mtener.2024.101661","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101661","url":null,"abstract":"Transition metal singlet embedded in nitrogen-doped carbon material (M-N-C) has been demonstrated as a promising electrochemical oxygen reduction reaction (ORR) catalyst; however, the unsatisfying activity and production selectivity have hampered its widespread applications in energy storage and conversion technologies. Herein, interface engineering by facilitating M-N-C catalysts (M from 3d to 4d electron-containing elements) with MXene has been utilized to regulate their ORR performance. It is found that the charge transfer occurring within the interface not only tunes the electron occupancy of the 3d/4d orbitals of the metal site, but also delocalizes the population of the d states. This alternation enhances the mobility of the electrons and promotes the 4e catalytic process thermodynamically. Meanwhile, the formation of ∗HOOH, the key reaction intermediate for 2e reaction, is hindered due to the alleviation of the binding capacity, which is beneficial to improve production selectivity. This study provides foundational understanding for the ORR catalytic mechanism at the atomic level and opens up new avenues for designing high-demanded electrocatalysts.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.1016/j.mtener.2024.101663
Elizabeth A. Pogue, Spencer A. Langevin, Tanner Hamann, Karun K. Rao, Marshall A. Schroeder, Nam Q. Le, Courtney McHale, Zachary Burchfield, Jesse S. Ko
Low-temperature operation (−20 °C and below) under high-rate conditions is a critical deficiency for lithium-ion batteries. To achieve size, weight, and power requirements tailored for demanding applications, novel materials are needed to sustain high performance. In the present study, we synthesize a series of niobate anode materials (NbO, NbO, and NbO) and tailor their particle size, defect nature, and electrical/ionic conductivity to enable high-performance operation at −20 °C under high-rate conditions (1.2C–2C). When paired with lithium manganese oxide (LMO) in a full-cell configuration, the NbO-based full-cells achieve high-rate capability (∼90 mAh/g up to 2C cycling rate at −20 °C) and great long-term stability (>98% retention up to 50 cycles at −20 °C). During a simulated 30 min duty cycling test synthesized from measured data from an actual drone flight (continuous range of 1.2C–2C cycling rates), the NbO||LMO cell enables full discharge at −20 °C, with only a 0.3 V voltage drop when compared to duty cycling at room temperature. The work presented herein demonstrates the future possibilities of expanding the operational capabilities of lithium-ion batteries.
{"title":"Enhancing low-temperature lithium-ion battery performance under high-rate conditions with niobium oxides","authors":"Elizabeth A. Pogue, Spencer A. Langevin, Tanner Hamann, Karun K. Rao, Marshall A. Schroeder, Nam Q. Le, Courtney McHale, Zachary Burchfield, Jesse S. Ko","doi":"10.1016/j.mtener.2024.101663","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101663","url":null,"abstract":"Low-temperature operation (−20 °C and below) under high-rate conditions is a critical deficiency for lithium-ion batteries. To achieve size, weight, and power requirements tailored for demanding applications, novel materials are needed to sustain high performance. In the present study, we synthesize a series of niobate anode materials (NbO, NbO, and NbO) and tailor their particle size, defect nature, and electrical/ionic conductivity to enable high-performance operation at −20 °C under high-rate conditions (1.2C–2C). When paired with lithium manganese oxide (LMO) in a full-cell configuration, the NbO-based full-cells achieve high-rate capability (∼90 mAh/g up to 2C cycling rate at −20 °C) and great long-term stability (>98% retention up to 50 cycles at −20 °C). During a simulated 30 min duty cycling test synthesized from measured data from an actual drone flight (continuous range of 1.2C–2C cycling rates), the NbO||LMO cell enables full discharge at −20 °C, with only a 0.3 V voltage drop when compared to duty cycling at room temperature. The work presented herein demonstrates the future possibilities of expanding the operational capabilities of lithium-ion batteries.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.1016/j.mtener.2024.101659
Xiaotong Liu, Zheng Han, Siying Zhao, Haoqing Tang, Tian Tian, Qiang Weng, Xiaohuan Liu, Tao Liu
Aqueous zinc-ion batteries (AZIBs) are considered to be one of the alternatives for large-scale energy storage devices due to unique advantages. However, the harmful Zn dendrites generation of Zn anodes seriously hinders the development of AZIBs. Herein, Cu(BTC) (HKUST-1) as a compact functional interface layer on the surface of bare Zn foil is shown to improve the reversibility of Zn-plating/stripping process. Interestingly, HKUST-1 possesses high porosity, large number of water molecule vacancies, and Cu active center, which help to enhance the diffusion kinetics of Zn and reduce the surface free energy of Zn electrode. Combining theoretical calculations with experiments, the HKUST-1 can contribute to the desolvation process of Zn[(HO)] and balance Zn concentration, which thus accelerate Zn transfer kinetics, lower interfacial energy, and homogenize ion-distribution. Attributed to these superiorities, the HKUST-1@Zn symmetric cells demonstrate excellent stable plating/stripping for over 250 h under ultra-high current density (20 mA/cm and 20 mAh/cm). Furthermore, a HKUST-1@Zn||MnO full cell exhibits an enhanced long-cycling performance with a discharge capacity of 114 mAh/g after undergoing 500 cycles. All results demonstrate the potential application of HKUST-1 coating in AZIBs.
{"title":"A HKUST-1 coating with copper metal active site enables stabilized zinc metal anode","authors":"Xiaotong Liu, Zheng Han, Siying Zhao, Haoqing Tang, Tian Tian, Qiang Weng, Xiaohuan Liu, Tao Liu","doi":"10.1016/j.mtener.2024.101659","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101659","url":null,"abstract":"Aqueous zinc-ion batteries (AZIBs) are considered to be one of the alternatives for large-scale energy storage devices due to unique advantages. However, the harmful Zn dendrites generation of Zn anodes seriously hinders the development of AZIBs. Herein, Cu(BTC) (HKUST-1) as a compact functional interface layer on the surface of bare Zn foil is shown to improve the reversibility of Zn-plating/stripping process. Interestingly, HKUST-1 possesses high porosity, large number of water molecule vacancies, and Cu active center, which help to enhance the diffusion kinetics of Zn and reduce the surface free energy of Zn electrode. Combining theoretical calculations with experiments, the HKUST-1 can contribute to the desolvation process of Zn[(HO)] and balance Zn concentration, which thus accelerate Zn transfer kinetics, lower interfacial energy, and homogenize ion-distribution. Attributed to these superiorities, the HKUST-1@Zn symmetric cells demonstrate excellent stable plating/stripping for over 250 h under ultra-high current density (20 mA/cm and 20 mAh/cm). Furthermore, a HKUST-1@Zn||MnO full cell exhibits an enhanced long-cycling performance with a discharge capacity of 114 mAh/g after undergoing 500 cycles. All results demonstrate the potential application of HKUST-1 coating in AZIBs.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.1016/j.mtener.2024.101662
Yawei Guo, Weijing Zuo, Xiangkun Wu, Lan Zhang
Sulfurized polyacrylonitrile (SPAN) is a promising cathode material for long-life lithium-sulfur batteries (LSBs) due to its enhanced electronic conductivity as well as the eliminated shuttle effect. However, the uncontrollable lithium dendrite issue as well as slow kinetics of thick electrodes still hinders its practical application. Herein, an polymerized electrolyte (PGE) based on vinyl carbonate and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) is designed and prepared to enhance the plating/stripping stability of the metal lithium while ensuring the cathode/electrolyte interfacial ion transportation. The optimized electrolyte, PGE-D, shows a satisfying ionic conductivity of 0.46 mS/cm at 25 °C; in the meantime, the polymer matrix hinders the diffusion of TFSI anion and results in a high Li transference number () of 0.73. Benefiting from the high affinity of the flowable PGE precursor to the thick SPAN cathode as well as enhanced lithium compatibility, the Li||SPAN battery with high areal loading of 14.1 mg/cm exhibits a high reversible specific capacity of 556.5 mAh/g and retains 76.3% of its capacity after 90 cycles.
{"title":"Practical SPAN||Li cells enabled by insitu polymerized electrolyte","authors":"Yawei Guo, Weijing Zuo, Xiangkun Wu, Lan Zhang","doi":"10.1016/j.mtener.2024.101662","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101662","url":null,"abstract":"Sulfurized polyacrylonitrile (SPAN) is a promising cathode material for long-life lithium-sulfur batteries (LSBs) due to its enhanced electronic conductivity as well as the eliminated shuttle effect. However, the uncontrollable lithium dendrite issue as well as slow kinetics of thick electrodes still hinders its practical application. Herein, an polymerized electrolyte (PGE) based on vinyl carbonate and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) is designed and prepared to enhance the plating/stripping stability of the metal lithium while ensuring the cathode/electrolyte interfacial ion transportation. The optimized electrolyte, PGE-D, shows a satisfying ionic conductivity of 0.46 mS/cm at 25 °C; in the meantime, the polymer matrix hinders the diffusion of TFSI anion and results in a high Li transference number () of 0.73. Benefiting from the high affinity of the flowable PGE precursor to the thick SPAN cathode as well as enhanced lithium compatibility, the Li||SPAN battery with high areal loading of 14.1 mg/cm exhibits a high reversible specific capacity of 556.5 mAh/g and retains 76.3% of its capacity after 90 cycles.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-05DOI: 10.1016/j.mtener.2024.101651
Yuqun Zhang, Liqiong Zhu, Rongjun Zhao, Lin Xie, Yong Hua
Slowing hot carriers (HCs) cooling of lead halide perovskites exhibits great promise for achieving highly efficient perovskite solar cells (PSCs). However, the effect of the quality of perovskite on PSCs performance has not been well studied. Herein, we fabricated high-quality perovskite films by employing an organic small molecule, tris(pentafluorophenyl)borane (TFB) as an additive material. It was found that the perovskite films with TFB become smoother and pinhole-free morphology with increased grain size and reduced trap-state density. More importantly, ultrafast transient absorption spectroscopy results reveal that the high-quality TFB-doped perovskite films can significantly slow down HCs cooling process compared with pristine perovskite film, which is beneficial for prolonging the lifetime of carriers and reducing the charge carrier recombination in the device. Accordingly, the power conversion efficiency (PCE) of CsFAMA-based PSCs doping with TFB is enhanced to 22.56% from the control device (20.22%). Compared with 21.79% efficiency for the control device, a high PCE of 24.09% is obtained in FA-based PSCs treated with TFB. Besides, the unencapsulated TFB-doped device retains 91% of its initial value after storing for 1900 h under ambient conditions (∼45% humidity). These findings provide some insights for understanding HCs’ dynamics for constructing highly efficient PSCs.
{"title":"Slowing hot carriers cooling dynamics via perovskite morphology manipulating enable high-performance perovskite solar cells","authors":"Yuqun Zhang, Liqiong Zhu, Rongjun Zhao, Lin Xie, Yong Hua","doi":"10.1016/j.mtener.2024.101651","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101651","url":null,"abstract":"Slowing hot carriers (HCs) cooling of lead halide perovskites exhibits great promise for achieving highly efficient perovskite solar cells (PSCs). However, the effect of the quality of perovskite on PSCs performance has not been well studied. Herein, we fabricated high-quality perovskite films by employing an organic small molecule, tris(pentafluorophenyl)borane (TFB) as an additive material. It was found that the perovskite films with TFB become smoother and pinhole-free morphology with increased grain size and reduced trap-state density. More importantly, ultrafast transient absorption spectroscopy results reveal that the high-quality TFB-doped perovskite films can significantly slow down HCs cooling process compared with pristine perovskite film, which is beneficial for prolonging the lifetime of carriers and reducing the charge carrier recombination in the device. Accordingly, the power conversion efficiency (PCE) of CsFAMA-based PSCs doping with TFB is enhanced to 22.56% from the control device (20.22%). Compared with 21.79% efficiency for the control device, a high PCE of 24.09% is obtained in FA-based PSCs treated with TFB. Besides, the unencapsulated TFB-doped device retains 91% of its initial value after storing for 1900 h under ambient conditions (∼45% humidity). These findings provide some insights for understanding HCs’ dynamics for constructing highly efficient PSCs.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
CaTiO-based compounds have emerged as a promising thermoelectric material, renowned for their environmentally benign, thermally stable, and cost-efficient merits. Non-etheless, the pristine CaTiO manifests inherently low electronic transport properties. Herein, the thermoelectric properties of CaDyTiO ( = 0, 0.05, 0.10, 0.15, 0.20) compounds are systematically investigated. The electrical transport properties are markedly enhanced by synergistic optimization of the carrier concentration, mobility, and density-of-states effective mass. Density functional theory results demonstrate that the conduction band tends to be sharper and that the lighter band participates in carrier transport after Dy doping. The large discrepancy in atomic mass results in considerable mass fluctuations, which give rise to intense phonon scattering. Benefitting from the modulated band structure and reduced thermal conductivity, the highest thermoelectric figure of merit (ZT) of 0.31 is achieved at 1073 K, enhanced by 287.5% in contrast with pristine CaTiO ( = 0.08). The defect and energy band modulation strategies proposed to optimize thermoelectric performance are applicable to other thermoelectric materials. This investigation inspires the exploration of high-performance and eco-friendly high-temperature thermoelectric material.
氧化钙基化合物因其对环境无害、热稳定性好和成本效益高而成为一种前景广阔的热电材料。然而，原始的 CaTiO 表现出固有的低电子传输特性。本文系统地研究了 CaDyTiO ( = 0, 0.05, 0.10, 0.15, 0.20) 复合物的热电性能。通过对载流子浓度、迁移率和态密度有效质量的协同优化，电输运特性得到了显著增强。密度泛函理论结果表明，掺杂 Dy 后，传导带趋于尖锐，轻带参与了载流子传输。原子质量的巨大差异导致了相当大的质量波动，从而引发了强烈的声子散射。得益于调制能带结构和热导率的降低，在 1073 K 时，热电功勋值（ZT）达到了 0.31，与原始钙钛矿（= 0.08）相比提高了 287.5%。为优化热电性能而提出的缺陷和能带调制策略适用于其他热电材料。这项研究为探索高性能、环保型高温热电材料提供了灵感。
{"title":"Enhanced thermoelectric properties for eco-friendly CaTiO3 by band sharpening and atomic-scale defect phonon scattering","authors":"Quanwei Jiang, Guangshu Li, Xinghui Wang, Huijun Kang, Zongning Chen, Enyu Guo, Tongmin Wang","doi":"10.1016/j.mtener.2024.101655","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101655","url":null,"abstract":"CaTiO-based compounds have emerged as a promising thermoelectric material, renowned for their environmentally benign, thermally stable, and cost-efficient merits. Non-etheless, the pristine CaTiO manifests inherently low electronic transport properties. Herein, the thermoelectric properties of CaDyTiO ( = 0, 0.05, 0.10, 0.15, 0.20) compounds are systematically investigated. The electrical transport properties are markedly enhanced by synergistic optimization of the carrier concentration, mobility, and density-of-states effective mass. Density functional theory results demonstrate that the conduction band tends to be sharper and that the lighter band participates in carrier transport after Dy doping. The large discrepancy in atomic mass results in considerable mass fluctuations, which give rise to intense phonon scattering. Benefitting from the modulated band structure and reduced thermal conductivity, the highest thermoelectric figure of merit (ZT) of 0.31 is achieved at 1073 K, enhanced by 287.5% in contrast with pristine CaTiO ( = 0.08). The defect and energy band modulation strategies proposed to optimize thermoelectric performance are applicable to other thermoelectric materials. This investigation inspires the exploration of high-performance and eco-friendly high-temperature thermoelectric material.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Doping has the potential to alter the levels of anharmonicity in compounds by attenuating bonding strength. In this study, we explore the efficacy of amphoteric Al doping for stimulating anharmonicity in -type MgAlSbBiTe to attain enhanced phonon scattering and thermoelectric performance. First-principles calculations and experimental data reveal the occupation of both Sb and Mg2 sites by amphoteric Al atoms in the anionic framework of MgAlSbBiTe A marginal variation in both carrier concentration and mobility sustains the high power factor without affecting the Seebeck coefficient, implying amphoteric doping induced charge compensation. While phonon velocity, Grüneisen parameter, and crystal orbital Hamilton population calculations results indicate that phonon softening and bond weakening are realized Al doping, leading to an enhanced lattice anharmonicity and a reduced lattice thermal conductivity. A remarkable enhancement ∼16% in the peak figure of merit and the average , was attained for the = 0.015 sample, when compared with the un-doped sample. Hence, the amphoteric doping can serve as an effective means to optimize values by decoupling the intertwined thermoelectric transport properties.
掺杂有可能通过减弱键合强度来改变化合物中的非谐波水平。在本研究中，我们探讨了两性铝掺杂对激发 - 型 MgAlSbBiTe 中的非谐波性的功效，从而获得增强的声子散射和热电性能。第一原理计算和实验数据显示，两性铝原子占据了 MgAlSbBiTe 阴离子框架中的 Sb 和 Mg2 位点。载流子浓度和迁移率的微小变化可维持高功率因数，而不影响塞贝克系数，这意味着两性掺杂诱导了电荷补偿。声子速度、Grüneisen 参数和晶体轨道 Hamilton 种群计算的结果表明，声子软化和键的削弱是通过掺杂 Al 来实现的，从而导致晶格非谐波性增强和晶格热导率降低。与未掺杂样品相比，掺杂 = 0.015 的样品的峰值功勋值和平均Ⅴ值显著提高了 16%。因此，两性掺杂可作为一种有效手段，通过解耦相互交织的热电传输特性来优化数值。
{"title":"Insights into enhanced thermoelectric performance of the n-type Mg3Sb2-based materials by amphoteric Al doping","authors":"Qiang Zhang, Huijun Li, Nagendra S. Chauhan, Lifei Wang, Wenhao Fan, Shaoping Chen, Jianfeng Fan, Yuzuru Miyazaki","doi":"10.1016/j.mtener.2024.101656","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101656","url":null,"abstract":"Doping has the potential to alter the levels of anharmonicity in compounds by attenuating bonding strength. In this study, we explore the efficacy of amphoteric Al doping for stimulating anharmonicity in -type MgAlSbBiTe to attain enhanced phonon scattering and thermoelectric performance. First-principles calculations and experimental data reveal the occupation of both Sb and Mg2 sites by amphoteric Al atoms in the anionic framework of MgAlSbBiTe A marginal variation in both carrier concentration and mobility sustains the high power factor without affecting the Seebeck coefficient, implying amphoteric doping induced charge compensation. While phonon velocity, Grüneisen parameter, and crystal orbital Hamilton population calculations results indicate that phonon softening and bond weakening are realized Al doping, leading to an enhanced lattice anharmonicity and a reduced lattice thermal conductivity. A remarkable enhancement ∼16% in the peak figure of merit and the average , was attained for the = 0.015 sample, when compared with the un-doped sample. Hence, the amphoteric doping can serve as an effective means to optimize values by decoupling the intertwined thermoelectric transport properties.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-03DOI: 10.1016/j.mtener.2024.101657
Jie Chen, Pansong Wang, Zhen Wang, Weixing Chen, Meng Li, Hongmei Jing, Yifei Wang
Ferroelectric-based composites have demonstrated tremendous potential in electrostatic capacitor owing to their exceptional dielectric characteristics. However, it is extremely challenging to attain desirable energy density () and above 95% efficiency () under low electric fields in the ferroelectric polymer-based composites because of the dominating electrical conduction loss. Herein, ferroelectric polymer composites consisting of SrTiO@SiO plates/(PVDF--HFP) as the inner layer and polycarbonate (PC) as the outer polymer layers are elaborately proposed. The vital role of the multiple interlaminar interfaces (electrode/dielectric interface and interlayer interface) on the reduction of conduction loss and improvement of corresponding energy storage properties of the ferroelectric polymer is verified by experimental and theoretical simulations. The resulting composite with an ultralow loading of SrTiO@SiO plates (0.5 vol%) displays a record high capacitive performance (∼8.73 J/cm) at above 95% under the low electric field of 280 MV/m, indicating an enormous ∼118% increment of the maximal over the commercial bench-mark biaxially oriented polypropylene (∼4 J/cm) and far outperforming those of the polymer-based dielectrics reported to date. Along with fast discharge time (9 ns), this contribution presents a versatile and competitive technology for fabricating composites with exceptional energy storage capabilities operating under low electric fields.
{"title":"Ultrahigh efficiency and energy density in tri-layered ferroelectric polymer composites utilizing ultralow loading of micro-sized plates","authors":"Jie Chen, Pansong Wang, Zhen Wang, Weixing Chen, Meng Li, Hongmei Jing, Yifei Wang","doi":"10.1016/j.mtener.2024.101657","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101657","url":null,"abstract":"Ferroelectric-based composites have demonstrated tremendous potential in electrostatic capacitor owing to their exceptional dielectric characteristics. However, it is extremely challenging to attain desirable energy density () and above 95% efficiency () under low electric fields in the ferroelectric polymer-based composites because of the dominating electrical conduction loss. Herein, ferroelectric polymer composites consisting of SrTiO@SiO plates/(PVDF--HFP) as the inner layer and polycarbonate (PC) as the outer polymer layers are elaborately proposed. The vital role of the multiple interlaminar interfaces (electrode/dielectric interface and interlayer interface) on the reduction of conduction loss and improvement of corresponding energy storage properties of the ferroelectric polymer is verified by experimental and theoretical simulations. The resulting composite with an ultralow loading of SrTiO@SiO plates (0.5 vol%) displays a record high capacitive performance (∼8.73 J/cm) at above 95% under the low electric field of 280 MV/m, indicating an enormous ∼118% increment of the maximal over the commercial bench-mark biaxially oriented polypropylene (∼4 J/cm) and far outperforming those of the polymer-based dielectrics reported to date. Along with fast discharge time (9 ns), this contribution presents a versatile and competitive technology for fabricating composites with exceptional energy storage capabilities operating under low electric fields.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Power conversion efficiency (PCE) of perovskite solar cells (PSCs) has reached 26.1%, but PSC devices are plagued by poor stability when exposed to light (especially ultraviolet (UV) radiation), heat, and moisture. UV stability remains a significant challenge to overcome. Luminescent down-shifting (LDS) filters have shown significant enhancement in photostability and efficiency for PSCs. However, most explored LDS materials are costly, non-biodegradable, and the resulting photostability is limited to ∼100 h. In this report, as-obtained waste filtrate from the polyaniline (PANI) synthesis is used to synthesize fluorescent PANI carbon quantum dots (PANI-CQDs) using a facile hydrothermal method. Here we report, for the first time, the use of waste-derived PANI-CQDs to fabricate UV filters that are low-cost, bio-degradable, and room-temperature processible and, importantly, impart high UV and photostability to the PSCs. PSCs with these filters retained 90% and 100% of their initial performance when exposed to UV light and AM 1.5 solar radiation, respectively, for more than 900 h, while PSCs without filters degraded to 14 and 70% of their initial performance under the same conditions. Hence, we clearly show that using a waste-derived LDS filter improves the UV stability of PSCs by six times and photostability beyond 1,000 h.
{"title":"Waste-derived carbon quantum dots for improving the photostability of perovskite solar cells to > 1,000 h","authors":"Yugesh Kumar, Lokesh Yadav, Anand Singh, Raju Kumar Gupta, Kanwar Singh Nalwa, Ashish Garg","doi":"10.1016/j.mtener.2024.101654","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101654","url":null,"abstract":"Power conversion efficiency (PCE) of perovskite solar cells (PSCs) has reached 26.1%, but PSC devices are plagued by poor stability when exposed to light (especially ultraviolet (UV) radiation), heat, and moisture. UV stability remains a significant challenge to overcome. Luminescent down-shifting (LDS) filters have shown significant enhancement in photostability and efficiency for PSCs. However, most explored LDS materials are costly, non-biodegradable, and the resulting photostability is limited to ∼100 h. In this report, as-obtained waste filtrate from the polyaniline (PANI) synthesis is used to synthesize fluorescent PANI carbon quantum dots (PANI-CQDs) using a facile hydrothermal method. Here we report, for the first time, the use of waste-derived PANI-CQDs to fabricate UV filters that are low-cost, bio-degradable, and room-temperature processible and, importantly, impart high UV and photostability to the PSCs. PSCs with these filters retained 90% and 100% of their initial performance when exposed to UV light and AM 1.5 solar radiation, respectively, for more than 900 h, while PSCs without filters degraded to 14 and 70% of their initial performance under the same conditions. Hence, we clearly show that using a waste-derived LDS filter improves the UV stability of PSCs by six times and photostability beyond 1,000 h.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-29DOI: 10.1016/j.mtener.2024.101639
Peter P. Murmu, Martin Markwitz, Shen V. Chong, Niall Malone, Takao Mori, Himanshu Vyas, L. John Kennedy, Sergey Rubanov, Clastinrusselraj Indirathankam Sathish, Jiabao Yi, John V. Kennedy
Copper iodide (CuI) is a promising -type transparent thermoelectric material for near-room temperature energy harvesting. We report a high-power factor for selenium (Se)-doped CuI films. Ion beam-sputtered CuI films were doped using 30 keV Se implantation with Se concentration varying between 0.50% and 6.50%. Hall effect measurements showed a ∼34% increase in electrical conductivity (σ ≈ 36.1 Ωcm) due to a ∼54% increase in carrier density (p ≈ 5.4 × 10 cm) in the -type γ-CuI film implanted with 5.0 × 10 Se.cm. A high Seebeck coefficient, α ≈ 388.9 μVK, and moderate electrical conductivity, σ ≈ 29.1 Ωcm, yield a nearly 85% increase in the power factor, ασ ≈ 439.7 μWmK, for a 1.0 × 10 Se.cm implanted film compared to the unimplanted film (ασ ≈ 236.4 μWmK). Monte Carlo simulation and density functional theory calculations revealed that the increased displacement per atom values and the {Se−} defect complex-induced shallow acceptor could be attributed to the observed increase in hole density. Our results highlight that native defects and defect complexes are beneficial for enhancing the power factor in transparent CuI for thermoelectric applications.
{"title":"Defect and dopant complex mediated high power factor in transparent selenium-doped copper iodide thin films","authors":"Peter P. Murmu, Martin Markwitz, Shen V. Chong, Niall Malone, Takao Mori, Himanshu Vyas, L. John Kennedy, Sergey Rubanov, Clastinrusselraj Indirathankam Sathish, Jiabao Yi, John V. Kennedy","doi":"10.1016/j.mtener.2024.101639","DOIUrl":"https://doi.org/10.1016/j.mtener.2024.101639","url":null,"abstract":"Copper iodide (CuI) is a promising -type transparent thermoelectric material for near-room temperature energy harvesting. We report a high-power factor for selenium (Se)-doped CuI films. Ion beam-sputtered CuI films were doped using 30 keV Se implantation with Se concentration varying between 0.50% and 6.50%. Hall effect measurements showed a ∼34% increase in electrical conductivity (σ ≈ 36.1 Ωcm) due to a ∼54% increase in carrier density (p ≈ 5.4 × 10 cm) in the -type γ-CuI film implanted with 5.0 × 10 Se.cm. A high Seebeck coefficient, α ≈ 388.9 μVK, and moderate electrical conductivity, σ ≈ 29.1 Ωcm, yield a nearly 85% increase in the power factor, ασ ≈ 439.7 μWmK, for a 1.0 × 10 Se.cm implanted film compared to the unimplanted film (ασ ≈ 236.4 μWmK). Monte Carlo simulation and density functional theory calculations revealed that the increased displacement per atom values and the {Se−} defect complex-induced shallow acceptor could be attributed to the observed increase in hole density. Our results highlight that native defects and defect complexes are beneficial for enhancing the power factor in transparent CuI for thermoelectric applications.","PeriodicalId":18277,"journal":{"name":"Materials Today Energy","volume":null,"pages":null},"PeriodicalIF":9.3,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142188333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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