首页 > 最新文献

APL Energy最新文献

英文 中文
Effect of localization–delocalization transition on thermoelectric properties of Bi2Te2Se topological insulator 局域化-非局域化转变对 Bi2Te2Se 拓扑绝缘体热电性能的影响
Pub Date : 2024-01-19 DOI: 10.1063/5.0173308
L. Craco, S. Leoni
The thermal transport properties of Bi2Te2Se topological insulators show a range of complex features. Large bulk resistivities coexisting with prominent Shubnikov–de Haas quantum oscillations and proximity to metallic states mark this p-band system as an unconventional topological quantum material. Here, using the density functional plus dynamical mean-field theory method, we show how localization–delocalization transition underpins the T-dependence of thermoelectric responses from room down to low temperatures. We present the implications of our many-particle analysis to resistivity, Seebeck coefficient, thermal conductivity, and Lorenz number and propose that related broadband systems close to electronic transitions could be of use in thermoelectrics.
Bi2Te2Se 拓扑绝缘体的热传输特性显示出一系列复杂的特征。大体电阻率与突出的舒布尼科夫-德-哈斯量子振荡并存,以及与金属态的接近,标志着这种 p 带系统是一种非常规的拓扑量子材料。在这里,我们利用密度泛函加动态均场理论方法,展示了局域化-非局域化转变如何支撑了从室温到低温的热电响应的 T 依赖性。我们介绍了我们的多粒子分析对电阻率、塞贝克系数、热导率和洛伦兹数的影响,并提出接近电子跃迁的相关宽带系统在热电领域可能会有用武之地。
{"title":"Effect of localization–delocalization transition on thermoelectric properties of Bi2Te2Se topological insulator","authors":"L. Craco, S. Leoni","doi":"10.1063/5.0173308","DOIUrl":"https://doi.org/10.1063/5.0173308","url":null,"abstract":"The thermal transport properties of Bi2Te2Se topological insulators show a range of complex features. Large bulk resistivities coexisting with prominent Shubnikov–de Haas quantum oscillations and proximity to metallic states mark this p-band system as an unconventional topological quantum material. Here, using the density functional plus dynamical mean-field theory method, we show how localization–delocalization transition underpins the T-dependence of thermoelectric responses from room down to low temperatures. We present the implications of our many-particle analysis to resistivity, Seebeck coefficient, thermal conductivity, and Lorenz number and propose that related broadband systems close to electronic transitions could be of use in thermoelectrics.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"2 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139525547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photovoltaic limitations of FAPbI3 nanocrystal solar cells associated with ligand washing processes 与配体清洗过程有关的 FAPbI3 纳米晶体太阳能电池的光电局限性
Pub Date : 2024-01-09 DOI: 10.1063/5.0177218
F. Galatopoulos, P. Papagiorgis, A. Ioakeimidis, A. Chrusou, A. Souzou, C. Christodoulou, C. Bernasconi, M. Bodnarchuk, E. Leontidis, M. V. Kovalenko, G. Itskos, S. Choulis
The processing of perovskite nanocrystals (PNCs) solar cells (SCs) usually incorporates ligand washing (LW) procedures. We show that a LW step of FAI in EtAc assists in the removal of the oleic acid/oleylamine ligands and improves the JSC and FF values of FAPbI3 based SCs. Although by increasing the exposure time of EtAc the removal of oleic acid/oleylamine ligands is more effective, sintering/necking of the FAPbI3 results to NC agglomerations and formation of defects/traps are observed within the active layer by the reported photoluminescence studies. Despite identifying the balanced in LW procedure exposure time, limitations on the performance of FAPbI3 PNCs SCs are reported. To identify the photovoltaic limitations impedance spectroscopy studies are presented and show that in the case of FAPbI3 PNC SCs an intermediate frequency response manifests. The observed impedance spectroscopy intermediate frequency response correlates with a parasitic resistance effect, indicating charge transport limitations and charge recombination losses even after the applied LW processing procedure.
过氧化物纳米晶体(PNCs)太阳能电池(SCs)的加工过程通常包含配体清洗(LW)步骤。我们的研究表明,在 EtAc 中进行 FAI 的 LW 步骤有助于去除油酸/油胺配体,并提高基于 FAPbI3 的 SC 的 JSC 值和 FF 值。虽然增加 EtAc 的暴露时间可以更有效地去除油酸/烯胺配位体,但从报告的光致发光研究中可以观察到 FAPbI3 的烧结/颈化导致 NC 团聚,并在活性层中形成缺陷/陷阱。尽管确定了 LW 程序曝光时间的平衡,但 FAPbI3 PNCs SCs 的性能仍受到限制。为了确定光电限制,介绍了阻抗光谱研究,结果表明 FAPbI3 PNC SCs 具有中频响应。观察到的阻抗光谱中频响应与寄生电阻效应相关,表明即使在应用 LW 处理程序后,仍存在电荷传输限制和电荷重组损耗。
{"title":"Photovoltaic limitations of FAPbI3 nanocrystal solar cells associated with ligand washing processes","authors":"F. Galatopoulos, P. Papagiorgis, A. Ioakeimidis, A. Chrusou, A. Souzou, C. Christodoulou, C. Bernasconi, M. Bodnarchuk, E. Leontidis, M. V. Kovalenko, G. Itskos, S. Choulis","doi":"10.1063/5.0177218","DOIUrl":"https://doi.org/10.1063/5.0177218","url":null,"abstract":"The processing of perovskite nanocrystals (PNCs) solar cells (SCs) usually incorporates ligand washing (LW) procedures. We show that a LW step of FAI in EtAc assists in the removal of the oleic acid/oleylamine ligands and improves the JSC and FF values of FAPbI3 based SCs. Although by increasing the exposure time of EtAc the removal of oleic acid/oleylamine ligands is more effective, sintering/necking of the FAPbI3 results to NC agglomerations and formation of defects/traps are observed within the active layer by the reported photoluminescence studies. Despite identifying the balanced in LW procedure exposure time, limitations on the performance of FAPbI3 PNCs SCs are reported. To identify the photovoltaic limitations impedance spectroscopy studies are presented and show that in the case of FAPbI3 PNC SCs an intermediate frequency response manifests. The observed impedance spectroscopy intermediate frequency response correlates with a parasitic resistance effect, indicating charge transport limitations and charge recombination losses even after the applied LW processing procedure.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"27 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139443590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electrolyte design for reversible metal electrodeposition-based electrochromic energy-saving devices 基于可逆金属电沉积的电致变色节能装置的电解质设计
Pub Date : 2024-01-08 DOI: 10.1063/5.0185647
Jinhui Wang, Ying Lv, Yiping Zhou, Sensen Jia, Feng Zhu, Oliver G Schmidt, Guofa Cai
Reversible metal electrodeposition (RME)-based electrochromic devices have been attracting significant research interest due to their merits of low cost, simple configuration, and high extinction coefficients. As the key component in the electrochromic system, RME electrolytes with various metal ions and additives have endowed the RME device with flexible functionalities in energy-saving applications such as energy-efficient displays, smart windows, and camouflages. However, it is still challenging to research a widespread commercial application before some critical issues can be solved such as poor reversibility, low optical memory of the mirror state, and slow switching speed. Here, we offer a critical review of the recent progress of RME electrochromic devices based on aqueous, organic, ionic liquid, and eutectic electrolytes. Furthermore, the main challenges and perspectives for RME electrolytes are highlighted and discussed.
基于可逆金属电沉积(RME)的电致变色器件因其成本低、配置简单、消光系数高等优点而备受研究关注。作为电致变色系统的关键部件,含有各种金属离子和添加剂的 RME 电解质赋予了 RME 器件在节能显示、智能窗户和伪装等节能应用中的灵活功能。然而,在解决一些关键问题(如可逆性差、镜像状态光学记忆低和开关速度慢)之前,研究广泛的商业应用仍具有挑战性。在此,我们对基于水性、有机、离子液体和共晶电解质的 RME 电致变色器件的最新进展进行了深入评述。此外,我们还重点讨论了 RME 电解质面临的主要挑战和发展前景。
{"title":"Electrolyte design for reversible metal electrodeposition-based electrochromic energy-saving devices","authors":"Jinhui Wang, Ying Lv, Yiping Zhou, Sensen Jia, Feng Zhu, Oliver G Schmidt, Guofa Cai","doi":"10.1063/5.0185647","DOIUrl":"https://doi.org/10.1063/5.0185647","url":null,"abstract":"Reversible metal electrodeposition (RME)-based electrochromic devices have been attracting significant research interest due to their merits of low cost, simple configuration, and high extinction coefficients. As the key component in the electrochromic system, RME electrolytes with various metal ions and additives have endowed the RME device with flexible functionalities in energy-saving applications such as energy-efficient displays, smart windows, and camouflages. However, it is still challenging to research a widespread commercial application before some critical issues can be solved such as poor reversibility, low optical memory of the mirror state, and slow switching speed. Here, we offer a critical review of the recent progress of RME electrochromic devices based on aqueous, organic, ionic liquid, and eutectic electrolytes. Furthermore, the main challenges and perspectives for RME electrolytes are highlighted and discussed.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"10 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139445682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Simple model of power generation in thermoradiative devices including realistic nonradiative processes 热辐射装置发电的简单模型,包括现实的非辐射过程
Pub Date : 2023-12-01 DOI: 10.1063/5.0181036
I. Vurgaftman, J. R. Meyer
We formulate a simple model for the power densities generated by thermoradiative devices based on narrow-gap semiconductors. Our model is more realistic than previous treatments because it includes the effects of both Auger (impact ionization) and Shockley–Read–Hall (SRH) processes on the generated power. For known materials and based on optimal values for the energy gap and operating bias, maximum possible power densities are estimated in the presence of strong nonradiative processes. In particular, we derive best-case numerical projections for thermoradiative devices based on III-V type-II superlattices and bulk HgCdTe operating at practical temperatures and having a range of SRH lifetimes. Devices with strong Auger suppression and configured in nonplanar architectures with limited geometric fill factor can in principle attain power densities per unit active area approaching 10 W/m2. However, practical limitations will more likely constrain the generation density to <1 W/m2, which is at least two orders of magnitude lower than for a typical solar cell.
我们为基于窄隙半导体的热辐射设备产生的功率密度制定了一个简单的模型。我们的模型比以往的方法更符合实际,因为它包含了奥格(撞击电离)和肖克利-雷德-霍尔(SRH)过程对产生功率的影响。对于已知材料,并基于能隙和工作偏置的最佳值,我们估算了在存在强非辐射过程时可能的最大功率密度。特别是,我们推导出了基于 III-VII 型超晶格和块状 HgCdTe 的热辐射器件的最佳情况数值预测,这些器件在实际温度下工作,并具有一定范围的 SRH 寿命。具有较强欧杰抑制能力的器件,配置在几何填充因子有限的非平面结构中,原则上可以达到接近 10 W/m2 的单位有效面积功率密度。然而,实际限制更有可能将发电密度限制在小于 1 W/m2 的范围内,这比典型的太阳能电池至少低两个数量级。
{"title":"Simple model of power generation in thermoradiative devices including realistic nonradiative processes","authors":"I. Vurgaftman, J. R. Meyer","doi":"10.1063/5.0181036","DOIUrl":"https://doi.org/10.1063/5.0181036","url":null,"abstract":"We formulate a simple model for the power densities generated by thermoradiative devices based on narrow-gap semiconductors. Our model is more realistic than previous treatments because it includes the effects of both Auger (impact ionization) and Shockley–Read–Hall (SRH) processes on the generated power. For known materials and based on optimal values for the energy gap and operating bias, maximum possible power densities are estimated in the presence of strong nonradiative processes. In particular, we derive best-case numerical projections for thermoradiative devices based on III-V type-II superlattices and bulk HgCdTe operating at practical temperatures and having a range of SRH lifetimes. Devices with strong Auger suppression and configured in nonplanar architectures with limited geometric fill factor can in principle attain power densities per unit active area approaching 10 W/m2. However, practical limitations will more likely constrain the generation density to <1 W/m2, which is at least two orders of magnitude lower than for a typical solar cell.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"168 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138992829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Erratum: “Outdoor stability testing of perovskite solar cells: Necessary step toward real-life applications” [APL Energy 1, 020903 (2023)] 勘误:"过氧化物太阳能电池的户外稳定性测试:迈向实际应用的必要一步"[APL Energy 1, 020903 (2023)]
Pub Date : 2023-12-01 DOI: 10.1063/5.0188084
Muhammad Umair Ali, Hongbo Mo, Yin Li, A. Djurišić
{"title":"Erratum: “Outdoor stability testing of perovskite solar cells: Necessary step toward real-life applications” [APL Energy 1, 020903 (2023)]","authors":"Muhammad Umair Ali, Hongbo Mo, Yin Li, A. Djurišić","doi":"10.1063/5.0188084","DOIUrl":"https://doi.org/10.1063/5.0188084","url":null,"abstract":"","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"535 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139020971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improved reproducibility of metal halide perovskite solar cells via automated gas quenching 通过自动气体淬火提高金属卤化物包晶太阳能电池的再现性
Pub Date : 2023-12-01 DOI: 10.1063/5.0174396
Samantha C. Kaczaral, Daniel A. Morales, Samuel W. Schreiber, Daniel Martinez, Ashley M. Conley, Randi Herath, G. Eperon, Joshua J. Choi, M. McGehee, David T. Moore
Achieving reproducible perovskite solar cell fabrication is crucial for making it a scalable technology. We demonstrate an automated gas quenching system to improve perovskite solar cell reproducibility at the lab-scale. We use in situ photoluminescence to monitor the perovskite film formation as a function of the atmosphere in the glove box and find that antisolvent quenching is more sensitive to lingering precursor solvents than the gas quenching method. We observe a better reproducibility with gas quenching than with antisolvent quenching because it maintains a more consistent atmosphere in the glove box. The automated gas quenching process leads to high performing devices that are reproducible both batch to batch and researcher to researcher. The insights into gas quenching film formation as a function of solvent atmosphere and quench velocity will help inform future studies on large scale fabrication systems.
实现可重现的过氧化物太阳能电池制造是使其成为可扩展技术的关键。我们展示了一种自动气体淬火系统,以提高实验室规模的包光体太阳能电池可重复性。我们利用原位光致发光来监测包晶体薄膜的形成与手套箱内气氛的关系,并发现与气体淬火法相比,反溶剂淬火法对残留的前驱体溶剂更为敏感。我们观察到气体淬火比反溶剂淬火的重现性更好,因为气体淬火能在手套箱中保持更稳定的气氛。自动气淬工艺可生产出高性能的设备,而且批次与批次之间以及研究人员与研究人员之间都具有可重复性。对气淬膜的形成与溶剂气氛和淬火速度的函数关系的深入了解将有助于为未来大规模制造系统的研究提供信息。
{"title":"Improved reproducibility of metal halide perovskite solar cells via automated gas quenching","authors":"Samantha C. Kaczaral, Daniel A. Morales, Samuel W. Schreiber, Daniel Martinez, Ashley M. Conley, Randi Herath, G. Eperon, Joshua J. Choi, M. McGehee, David T. Moore","doi":"10.1063/5.0174396","DOIUrl":"https://doi.org/10.1063/5.0174396","url":null,"abstract":"Achieving reproducible perovskite solar cell fabrication is crucial for making it a scalable technology. We demonstrate an automated gas quenching system to improve perovskite solar cell reproducibility at the lab-scale. We use in situ photoluminescence to monitor the perovskite film formation as a function of the atmosphere in the glove box and find that antisolvent quenching is more sensitive to lingering precursor solvents than the gas quenching method. We observe a better reproducibility with gas quenching than with antisolvent quenching because it maintains a more consistent atmosphere in the glove box. The automated gas quenching process leads to high performing devices that are reproducible both batch to batch and researcher to researcher. The insights into gas quenching film formation as a function of solvent atmosphere and quench velocity will help inform future studies on large scale fabrication systems.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"476 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139026166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent progress of PY-IT-based all-polymer solar cells py - it基全聚合物太阳能电池研究进展
Pub Date : 2023-11-10 DOI: 10.1063/5.0170931
Xu Liu, Mengzhen Sha, Hang Yin, Xiaotao Hao
All-polymer solar cells (all-PSCs), with their specific merits of superior operation stability and remarkable mechanical flexibility, have made significant progress and become an indispensable part of the field of organic solar cells (OSCs) in recent years. This progress has established them as an indispensable component of the OSC landscape. One of the key driving forces behind this advancement is the development of high-performance polymer acceptor materials. Notably, the emergence of cutting-edge Y series polymerized small-molecule acceptors such as PY-IT, PYT, PY-2Cl, PY-V-γ, and PYF-T-o has significantly narrowed the efficiency gap when compared to the OSCs relying on small-molecule acceptors. Here, we systematically delve into the recent development of PY-IT-based OSCs. First, we offer a detailed discussion about the device physics of PY-IT-based OSCs and then illustrate their achievements from three aspects: binary systems, ternary systems, and layer-by-layer structures. Moreover, current challenges and outlooks are proposed for future research directions. We expect that our work will inspire further breakthroughs and improvements in the fields of all-PSCs.
近年来,全聚合物太阳能电池(all-PSCs)以其优越的运行稳定性和优异的机械柔性等特殊优点,取得了长足的发展,成为有机太阳能电池(OSCs)领域不可缺少的重要组成部分。这一进展使它们成为OSC格局中不可或缺的组成部分。这一进步背后的关键驱动力之一是高性能聚合物受体材料的发展。值得注意的是,PY-IT、PYT、PY-2Cl、PY-V-γ、PYF-T-o等前沿Y系列聚合小分子受体的出现,与依赖小分子受体的OSCs相比,显著缩小了效率差距。在这里,我们系统地深入研究了基于py - it的osc的最新发展。首先,我们详细讨论了基于py - it的OSCs的器件物理特性,然后从二进制系统、三元系统和逐层结构三个方面说明了他们的成就。并对未来的研究方向提出了挑战和展望。我们期望我们的工作将激发全psc领域的进一步突破和改进。
{"title":"Recent progress of PY-IT-based all-polymer solar cells","authors":"Xu Liu, Mengzhen Sha, Hang Yin, Xiaotao Hao","doi":"10.1063/5.0170931","DOIUrl":"https://doi.org/10.1063/5.0170931","url":null,"abstract":"All-polymer solar cells (all-PSCs), with their specific merits of superior operation stability and remarkable mechanical flexibility, have made significant progress and become an indispensable part of the field of organic solar cells (OSCs) in recent years. This progress has established them as an indispensable component of the OSC landscape. One of the key driving forces behind this advancement is the development of high-performance polymer acceptor materials. Notably, the emergence of cutting-edge Y series polymerized small-molecule acceptors such as PY-IT, PYT, PY-2Cl, PY-V-γ, and PYF-T-o has significantly narrowed the efficiency gap when compared to the OSCs relying on small-molecule acceptors. Here, we systematically delve into the recent development of PY-IT-based OSCs. First, we offer a detailed discussion about the device physics of PY-IT-based OSCs and then illustrate their achievements from three aspects: binary systems, ternary systems, and layer-by-layer structures. Moreover, current challenges and outlooks are proposed for future research directions. We expect that our work will inspire further breakthroughs and improvements in the fields of all-PSCs.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"89 10","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135091580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Metal–organic framework electrocatalysis: More than a sum of parts? 金属-有机框架电催化:大于部分之和?
Pub Date : 2023-11-09 DOI: 10.1063/5.0173239
Alexander Bagger, Aron Walsh
The ever cheapening renewable energy calls for an effective means of storing and using electricity. Electrocatalysis is key for transforming electricity into chemical bonds. However, electrolysis is limited by the catalyst at the electrodes. In this work, we explore metal–organic frameworks (MOFs) as potential electrocatalysts. We investigate MOF-525, consisting of Zr nodes and tetrakis(4-carboxyphenyl)porphyrin (TCPP) linkers. We show using density functional theory simulations that metal incorporation in the ligand changes the reactivity in an electrochemical environment. Furthermore, we find that the MOF-derived porphyrin structure has a similar catalytic performance to the MOF itself for the hydrogen evolution, oxygen reduction, and CO2 reduction reactions. Our findings highlight the challenge of using and reporting catalysis from complex hybrid materials, such as MOFs.
不断降价的可再生能源需要一种有效的手段来储存和使用电力。电催化是将电转化为化学键的关键。然而,电解受到电极上催化剂的限制。在这项工作中,我们探索了金属有机框架(MOFs)作为潜在的电催化剂。我们研究了由Zr节点和四(4-羧基苯基)卟啉(TCPP)连接物组成的MOF-525。我们使用密度泛函理论模拟表明,金属掺入配体改变了电化学环境中的反应性。此外,我们发现MOF衍生的卟啉结构在析氢、氧还原和CO2还原反应中具有与MOF本身相似的催化性能。我们的研究结果强调了使用和报告来自复杂杂化材料(如mof)的催化剂的挑战。
{"title":"Metal–organic framework electrocatalysis: More than a sum of parts?","authors":"Alexander Bagger, Aron Walsh","doi":"10.1063/5.0173239","DOIUrl":"https://doi.org/10.1063/5.0173239","url":null,"abstract":"The ever cheapening renewable energy calls for an effective means of storing and using electricity. Electrocatalysis is key for transforming electricity into chemical bonds. However, electrolysis is limited by the catalyst at the electrodes. In this work, we explore metal–organic frameworks (MOFs) as potential electrocatalysts. We investigate MOF-525, consisting of Zr nodes and tetrakis(4-carboxyphenyl)porphyrin (TCPP) linkers. We show using density functional theory simulations that metal incorporation in the ligand changes the reactivity in an electrochemical environment. Furthermore, we find that the MOF-derived porphyrin structure has a similar catalytic performance to the MOF itself for the hydrogen evolution, oxygen reduction, and CO2 reduction reactions. Our findings highlight the challenge of using and reporting catalysis from complex hybrid materials, such as MOFs.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":" 11","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135241122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving water removal efficiency in a PEM fuel cell: Microstructured surfaces for controlling instability-driven pinching 提高PEM燃料电池的除水效率:用于控制不稳定驱动的挤压的微结构表面
Pub Date : 2023-11-06 DOI: 10.1063/5.0171953
Nilanjan Mondal, Diptesh Biswas, Chirodeep Bakli
Proton Exchange Membrane Fuel Cell (PEMFC) is a clean, sustainable energy generation device, and its large-scale usage is becoming popular due to green and secure energy demand worldwide. The performance, efficiency, and lifespan of PEMFC largely depend on the water removal and management within the cell. Under the influence of the cross-air flow, the generated water filaments deform, and as the filament radius lowers, the curvature and capillary pressure increase, ejecting fluid out of the neck at increasing velocities. The moment the filament radius vanishes, the governing equations reach the point of singularity, and the filament breaks. We propose an optimum micro-patterned surface design for efficient water removal from PEMFC. We perform a numerical study of water generation on the surface followed by breakup under shear flow within confinement. We further theoretically identify the breakup behavior with characterization, recognizing the influence of the microstructures toward an efficient design. The hydrophobic microstructures are observed to decrease the dominance of viscous force over inertia and capillary force. This leads to a greater propensity of end-pinching or truncation of the generated droplet at the neck, which reduces the production of undesired satellite droplets that would have otherwise caused flooding of the chamber. In this work, we show that a proper combination of substrate structure and jet velocity-induced shear can mitigate the generation of satellite droplets and reduce the breakup time, significantly increasing the water removal efficiency of the PEMFC.
质子交换膜燃料电池(PEMFC)是一种清洁、可持续的能源生产设备,由于全球对绿色和安全的能源需求,其大规模使用正变得越来越受欢迎。PEMFC的性能、效率和寿命在很大程度上取决于电池内的水去除和管理。在交叉气流的影响下,生成的水细丝发生变形,随着细丝半径的减小,曲率和毛管压力增大,流体以越来越快的速度从颈部喷出。灯丝半径消失的瞬间,控制方程到达奇点,灯丝断裂。我们提出了一种最佳的微图案表面设计,以有效地去除PEMFC中的水。我们进行了一个数值研究,在限制剪切流动下,表面上的水生成随后破裂。我们进一步从理论上识别与表征的破裂行为,认识到微观结构对有效设计的影响。疏水的微观结构减少了粘滞力对惯性力和毛细力的支配作用。这导致在颈部产生的液滴更倾向于末端挤压或截断,从而减少了不希望的卫星液滴的产生,否则将导致腔室的淹没。在这项工作中,我们证明了衬底结构和射流速度诱导剪切的适当组合可以减轻卫星液滴的产生,缩短破裂时间,显著提高PEMFC的除水效率。
{"title":"Improving water removal efficiency in a PEM fuel cell: Microstructured surfaces for controlling instability-driven pinching","authors":"Nilanjan Mondal, Diptesh Biswas, Chirodeep Bakli","doi":"10.1063/5.0171953","DOIUrl":"https://doi.org/10.1063/5.0171953","url":null,"abstract":"Proton Exchange Membrane Fuel Cell (PEMFC) is a clean, sustainable energy generation device, and its large-scale usage is becoming popular due to green and secure energy demand worldwide. The performance, efficiency, and lifespan of PEMFC largely depend on the water removal and management within the cell. Under the influence of the cross-air flow, the generated water filaments deform, and as the filament radius lowers, the curvature and capillary pressure increase, ejecting fluid out of the neck at increasing velocities. The moment the filament radius vanishes, the governing equations reach the point of singularity, and the filament breaks. We propose an optimum micro-patterned surface design for efficient water removal from PEMFC. We perform a numerical study of water generation on the surface followed by breakup under shear flow within confinement. We further theoretically identify the breakup behavior with characterization, recognizing the influence of the microstructures toward an efficient design. The hydrophobic microstructures are observed to decrease the dominance of viscous force over inertia and capillary force. This leads to a greater propensity of end-pinching or truncation of the generated droplet at the neck, which reduces the production of undesired satellite droplets that would have otherwise caused flooding of the chamber. In this work, we show that a proper combination of substrate structure and jet velocity-induced shear can mitigate the generation of satellite droplets and reduce the breakup time, significantly increasing the water removal efficiency of the PEMFC.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135634507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering perovskite solar cells for efficient wireless power transfer 用于高效无线电力传输的工程钙钛矿太阳能电池
Pub Date : 2023-10-27 DOI: 10.1063/5.0169827
Matthew I. Timofeev, Francesco V. Guarnieri, Julia E. Huddy, William J. Scheideler
Metal halide perovskites are a promising photovoltaic technology for energy harvesting due to their potential for low cost via high-speed manufacturing and their flexible light form factors offering high power per weight. This study presents an investigation of the energy harvesting performance of perovskite solar cells under monochromatic illumination via finite element simulations and experimental validation with high-efficiency double cation perovskite solar cells. Device performance across a broad range of illumination intensity is analyzed, providing insights into the mechanisms limiting energy harvesting in medium- and long-range wireless power transfer. The simulations also provide a guideline for compositional engineering of wide bandgap perovskites to improve the spectral match to efficient monochromatic sources. Based on these results, we show how perovskite solar cells can become a platform for efficient (&gt;33%) medium-range wireless power transfer at the 5–50 m scale for power levels of 1 mW to 1 W.
金属卤化物钙钛矿是一种很有前途的能量收集光伏技术,因为它们具有低成本的潜力,可以通过高速制造和灵活的轻形状因素提供高每重量功率。本文通过有限元模拟和高效双阳离子钙钛矿太阳能电池的实验验证,研究了钙钛矿太阳能电池在单色光照下的能量收集性能。分析了设备在大范围照明强度下的性能,提供了对中远距离无线电力传输中限制能量收集的机制的见解。模拟结果也为宽禁带钙钛矿的成分工程提供了指导,以提高光谱与高效单色光源的匹配。基于这些结果,我们展示了钙钛矿太阳能电池如何成为一个平台,在5-50米范围内,功率水平为1兆瓦至1瓦,实现高效(>33%)中程无线电力传输。
{"title":"Engineering perovskite solar cells for efficient wireless power transfer","authors":"Matthew I. Timofeev, Francesco V. Guarnieri, Julia E. Huddy, William J. Scheideler","doi":"10.1063/5.0169827","DOIUrl":"https://doi.org/10.1063/5.0169827","url":null,"abstract":"Metal halide perovskites are a promising photovoltaic technology for energy harvesting due to their potential for low cost via high-speed manufacturing and their flexible light form factors offering high power per weight. This study presents an investigation of the energy harvesting performance of perovskite solar cells under monochromatic illumination via finite element simulations and experimental validation with high-efficiency double cation perovskite solar cells. Device performance across a broad range of illumination intensity is analyzed, providing insights into the mechanisms limiting energy harvesting in medium- and long-range wireless power transfer. The simulations also provide a guideline for compositional engineering of wide bandgap perovskites to improve the spectral match to efficient monochromatic sources. Based on these results, we show how perovskite solar cells can become a platform for efficient (&amp;gt;33%) medium-range wireless power transfer at the 5–50 m scale for power levels of 1 mW to 1 W.","PeriodicalId":486383,"journal":{"name":"APL Energy","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136262696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
APL Energy
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1