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Photo-doping of spiro-OMeTAD for highly stable and efficient perovskite solar cells 光掺杂螺-OMeTAD 实现高稳定、高效的过氧化物太阳能电池
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.03.012
Seul-Gi Kim , George C. Fish , Etienne Socie , Aaron T. Terpstra , Dong-Am Park , Kai Zhu , Michael Grätzel , Jacques-E. Moser , Nam-Gyu Park

A widely used component of high-efficiency perovskite solar cells (PSCs) is the molecular hole-transport material (HTM) spiro-OMeTAD. This organic solid needs to be p-doped to acquire sufficient hole conductivity. However, the conventional doping method using LiTFSI in the air is slow, sensitive to the environment, and may lead to the deterioration of the PSCs by unintended oxidation or dopant migration. It is thus highly desirable to develop fast doping approaches that avoid exposing the PSC to ambient air and easy-to-move dopant ions. We report here that light absorption by spiro-OMeTAD itself triggers redox photochemistry that has so far been ignored. Strikingly, we found that Y(III) or La(III)-tBP complexes catalyze the symmetry-breaking charge separation of photo-excited spiro-OMeTAD, resulting in the efficient p-doping of the HTM. Using this photo-redox process, we realize PSCs with superior stability over cells using conventional doping that show no degradation under continuous illumination over 1,000 h.

高效过氧化物太阳能电池(PSCs)中广泛使用的一种成分是分子空穴传输材料(HTM)螺-OMeTAD。这种有机固体需要进行 p 掺杂才能获得足够的空穴传导性。然而,在空气中使用 LiTFSI 的传统掺杂方法速度缓慢,对环境敏感,而且可能会因意外氧化或掺杂剂迁移而导致 PSC 性能下降。因此,开发快速掺杂方法,避免让 PSC 暴露于环境空气和易于移动的掺杂离子,是非常可取的。我们在此报告,螺-OMeTAD 本身的光吸收会引发氧化还原光化学反应,而这种反应迄今为止一直被忽视。令人震惊的是,我们发现 Y(III)或 La(III)-tBP 复合物催化了光激发螺-OMeTAD 的对称性电荷分离,从而实现了 HTM 的高效 p 掺杂。利用这种光氧化还原过程,我们实现了比使用传统掺杂的电池具有更高的稳定性的 PSCs,这种电池在超过 1000 小时的连续光照下不会出现降解。
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引用次数: 0
Opportunities for quantum computing within net-zero power system optimization 量子计算在零净电力系统优化中的机遇
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.03.020
Thomas Morstyn , Xiangyue Wang

Optimized power system planning and operation are core to delivering a low-cost and high-reliability transition path to net-zero carbon emissions. The major technological changes associated with net zero, including the rapid adoption of renewables, electrification of transport and heating, and system-wide digitalization, each increase the scope for optimization to create value, but at the cost of greater computational complexity. Although power system optimization problems are now posing challenges for even the largest exa-scale supercomputers, a new avenue for progress has been opened by recent breakthroughs in quantum computing. Quantum computing offers a fundamentally new computational infrastructure with different capabilities and trade-offs and is reaching a level of maturity where, for the first time, a practical advantage over classical computing is available for specific applications. In this review, we identify significant and wide-ranging opportunities for quantum computing to offer value for power system optimization. In addition to reviewing the latest work on quantum computing for simulation-based and combinatorial power system optimization applications, we also review state-of-the-art theoretical work on quantum convex optimization and machine learning and map this to power system optimization applications where quantum computing is underexplored. Based on our review, we analyze challenges for industry implementation and scale-up and propose directions for future research.

优化电力系统规划和运行是实现低成本、高可靠性的净零碳排放过渡途径的核心。与净零排放相关的重大技术变革,包括可再生能源的快速采用、交通和供热的电气化以及全系统的数字化,都增加了优化创造价值的空间,但代价是计算复杂性的增加。尽管电力系统优化问题目前对最大的外差级超级计算机也构成了挑战,但量子计算的最新突破为取得进展开辟了一条新途径。量子计算提供了一种全新的计算基础架构,具有不同的功能和权衡,并正在达到一定的成熟度,在特定应用中首次具备了超越经典计算的实际优势。在本综述中,我们确定了量子计算为电力系统优化提供价值的重要而广泛的机会。除了回顾量子计算在基于仿真和组合的电力系统优化应用中的最新工作,我们还回顾了量子凸优化和机器学习的最新理论工作,并将其映射到量子计算尚未得到充分探索的电力系统优化应用中。在回顾的基础上,我们分析了行业实施和扩展所面临的挑战,并提出了未来的研究方向。
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引用次数: 0
Deep learning of experimental electrochemistry for battery cathodes across diverse compositions 对不同成分电池阴极的实验电化学进行深度学习
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.03.010
Peichen Zhong , Bowen Deng , Tanjin He , Zhengyan Lun , Gerbrand Ceder

Artificial intelligence (AI) has emerged as a tool for discovering and optimizing novel battery materials. However, the adoption of AI in battery cathode representation and discovery is still limited due to the complexity of optimizing multiple performance properties and the scarcity of high-fidelity data. We present a machine learning model (DRXNet) for battery informatics and demonstrate the application in the discovery and optimization of disordered rocksalt (DRX) cathode materials. We have compiled the electrochemistry data of DRX cathodes over the past 5 years, resulting in a dataset of more than 19,000 discharge voltage profiles on diverse chemistries spanning 14 different metal species. Learning from this extensive dataset, our DRXNet model can capture critical features in the cycling curves of DRX cathodes under various conditions. Our approach offers a data-driven solution to facilitate the rapid identification of novel cathode materials, accelerating the development of next-generation batteries for carbon neutralization.

人工智能(AI)已成为发现和优化新型电池材料的工具。然而,由于优化多种性能特性的复杂性和高保真数据的稀缺性,人工智能在电池阴极表征和发现方面的应用仍然有限。我们介绍了一种用于电池信息学的机器学习模型(DRXNet),并演示了该模型在发现和优化无序岩盐(DRX)阴极材料中的应用。我们汇编了过去 5 年中 DRX 阴极的电化学数据,形成了一个包含 19,000 多条放电电压曲线的数据集,这些曲线涉及 14 种不同的金属。通过学习这个广泛的数据集,我们的 DRXNet 模型可以捕捉 DRX 阴极在各种条件下循环曲线的关键特征。我们的方法提供了一种数据驱动型解决方案,有助于快速识别新型阴极材料,从而加速下一代碳中和电池的开发。
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引用次数: 0
Synergetic substrate and additive engineering for over 30%-efficient perovskite-Si tandem solar cells 高效率超过 30% 的透辉石-硅串联太阳能电池的协同衬底和添加剂工程技术
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.04.015
Deniz Turkay , Kerem Artuk , Xin-Yu Chin , Daniel A. Jacobs , Soo-Jin Moon , Arnaud Walter , Mounir Mensi , Gaëlle Andreatta , Nicolas Blondiaux , Huagui Lai , Fan Fu , Mathieu Boccard , Quentin Jeangros , Christian M. Wolff , Christophe Ballif

Perovskite-silicon (Si) tandem solar cells are the most prominent contenders to succeed single-junction Si cells that dominate the market today. Yet, to justify the added cost of inserting a perovskite cell on top of Si, these devices should first exhibit sufficiently high power conversion efficiencies (PCEs). Here, we present two key developments with a synergetic effect that boost the PCEs of our tandem devices with front-side flat Si wafers—the use of 2,3,4,5,6-pentafluorobenzylphosphonic acid (pFBPA) in the perovskite precursor ink that suppresses recombination near the perovskite/C60 interface and the use of SiO2 nanoparticles under the perovskite film that suppresses the enhanced number of pinholes and shunts introduced by pFBPA, while also allowing reliable use of Me-4PACz as a hole transport layer. Integrating these developments in an optically and electrically optimized tandem device (e.g., with a durable Si cell), reproducible PCEs of 30 ± 1%, and a certified maximum of 30.9% are achieved.

包晶石-硅(Si)串联太阳能电池是接替目前市场上占主导地位的单结硅电池的最主要竞争者。然而,为了证明在硅上插入包晶石电池所增加的成本是合理的,这些设备首先应表现出足够高的功率转换效率(PCE)。在此,我们将介绍两项具有协同效应的关键开发成果,这两项成果可提高我们采用正面平坦硅晶片的串联器件的 PCE--使用 2,3,4,5、6-五氟苯苄基膦酸 (pFBPA),可抑制包晶/C60 界面附近的重组;以及在包晶薄膜下使用 SiO2 纳米粒子,可抑制 pFBPA 带来的针孔和分流的增加,同时还能可靠地使用 Me-4PACz 作为空穴传输层。将这些开发成果集成到光学和电气优化的串联设备中(例如,采用耐用的硅电池),可实现 30 ± 1% 的可重复 PCE,经认证的最高 PCE 为 30.9%。
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引用次数: 0
The evolving long tail at the edge of the grid: Benefits and concerns 电网边缘不断演变的长尾:优势与担忧
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.04.005
Yael Parag , Shiri Zemah-Shamir , Elad Shaviv , Naama Teschner

Market liberalization and affordable distributed technologies leads to energy systems with “long-tail” characteristics. The emerging system is fragmented and dynamic, composed of numerous assets and multiple players with different motivations and capabilities. The long tail offers benefits for the environment, energy security, and consumers, while also introducing new regulatory challenges and safety concerns. This perspective describes the characteristics of the evolving long-tail system and highlights potential positive and negative impacts on the environment, society, and energy security, considering regulatory and governance gaps.

市场自由化和负担得起的分布式技术导致能源系统具有 "长尾 "特征。新出现的系统是分散的、动态的,由众多资产和具有不同动机和能力的多个参与者组成。长尾系统在为环境、能源安全和消费者带来好处的同时,也带来了新的监管挑战和安全问题。本视角描述了不断演变的长尾系统的特点,并强调了其对环境、社会和能源安全的潜在积极和消极影响,同时考虑了监管和治理方面的差距。
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引用次数: 0
Electrifying heavy-duty truck through battery swapping 通过电池交换实现重型卡车电气化
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.04.008
Yalun Li , Feiqin Zhu , Liguo Li , Minggao Ouyang

Yalun Li leads a research team in battery fast charging and swapping and vehicle-grid integration systems at Tsinghua University. He earned his PhD in power engineering from Tsinghua University, with his doctoral dissertation awarded by the China Society of Automotive Engineers. He is selected for China National Postdoctoral Program for Innovative Talents and serves as a youth editorial member for eTransportation.

Feiqin Zhu is a research associate at Brookhaven National Laboratory, researching transportation and power systems and specializing in energy-infrastructure planning for electric vehicles.

Liguo Li is the secretary-general of the China Battery Swapping Heavy-Duty Truck Alliance and leads a key R&D program on battery swapping trucks.

Minggao Ouyang is a professor at Tsinghua University and a member of the Chinese Academy of Sciences. He focuses on electrochemical energy storage, hydrogen energy, and smart energy systems. He has served as the chief scientist of China’s New Energy Vehicle Project and the China-US Clean Vehicle Research Alliance. He was honored with the IEEE Transportation Technologies Award.

李亚伦是清华大学电池快速充换电和车网集成系统研究团队的负责人。他在清华大学获得动力工程博士学位,博士论文获得中国汽车工程学会奖励。朱飞琴是布鲁克海文国家实验室的助理研究员,研究交通和动力系统,专注于电动汽车的能源基础设施规划。李立国是中国电池互换重型卡车联盟的秘书长,领导电池互换卡车的重点研发项目。欧阳明高是清华大学教授、中国科学院院士,主要研究领域为电化学储能、氢能和智慧能源系统。他曾担任中国新能源汽车项目和中美清洁汽车研究联盟的首席科学家。他曾荣获电气和电子工程师学会交通技术奖。
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引用次数: 0
Simplified fabrication of high-performance organic solar cells through the design of self-assembling hole-transport molecules 通过设计自组装空穴传输分子简化高性能有机太阳能电池的制造过程
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.03.013
Zhihao Chen , Shaoqing Zhang , Tao Zhang , Jiangbo Dai , Yue Yu , Huixue Li , Xiaotao Hao , Jianhui Hou

The commercialization of organic solar cells (OSCs) encompasses overcoming hurdles related to efficiency, stability, cost, and complexity of device fabrication techniques. The elaborate sequential deposition (SD) process for fabricating charge-transport and photoactive layers stands out as a critical challenge. In this study, we synthesized a series of self-assembling hole-transport molecules, namely, BPC-M, BPC-Ph, and BPC-F, to investigate the mechanism within self-assembling deposition (SAD). The synthesized molecules in SAD-processed cells exhibit significantly varied photovoltaic performance. Notably, BPC-M achieves a superior power conversion efficiency of 19.3% in SAD-processed PBDB-TF:eC9 cells. However, cells incorporating BPC-F show significant performance degradation. It is demonstrated that the thermodynamic forces driven by surface free energy, coupled with intermolecular interactions, are pivotal in dictating the self-assembly efficiency. This determines the quality of the self-assembled layer and the residual molecule in the active layer. This study simplifies OSC fabrication and offers a promising approach for the industrialization of OSCs.

有机太阳能电池(OSC)的商业化需要克服与效率、稳定性、成本和器件制造技术复杂性有关的障碍。制造电荷传输层和光活性层的复杂连续沉积(SD)工艺是一项严峻的挑战。在本研究中,我们合成了一系列自组装空穴传输分子,即 BPC-M、BPC-Ph 和 BPC-F,以研究自组装沉积(SAD)的机理。在 SAD 加工的电池中合成的分子表现出显著不同的光伏性能。值得注意的是,BPC-M 在 SAD 处理的 PBDB-TF:eC9 电池中实现了 19.3% 的卓越功率转换效率。然而,含有 BPC-F 的电池则表现出明显的性能下降。研究表明,由表面自由能驱动的热动力与分子间相互作用在决定自组装效率方面起着关键作用。这决定了自组装层的质量和活性层中的残余分子。这项研究简化了 OSC 的制造过程,为 OSC 的产业化提供了一种前景广阔的方法。
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引用次数: 0
Substantially boosting performance of triboelectric nanogenerators via a triboelectrification enhancement effect 通过三电化增强效应大幅提升三电纳米发电机的性能
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.04.013
Yang Yu , Hengyu Li , Xiaosong Zhang , Qi Gao , Borui Yang , Zhong Lin Wang , Tinghai Cheng

Improving the performance of triboelectric nanogenerators (TENGs) is crucial for their practical application. Conventional methods have inherent limitations, including complexity, increased costs, and restricted applicability to various types of TENGs. Here, we propose a novel triboelectrification enhancement effect (TEE) to efficiently enhance the triboelectric charges of tribo-materials, achieving a remarkable 14.8-fold improvement in charge generation and a staggering 173.2-fold increase in output energy. The TEE offers a universal solution to enhance the performance of all types of TENGs. A contact-separation mode TENG using the TEE achieves ultrahigh transferred charge and power density of 2.2 μC and 20.6 W/m3, respectively. After implementing power management, the TENG produces a pulse direct current output of 10.2 mA. Importantly, the prototype can power buoys and wave warning systems with wireless transmission by harvesting energy from both the water surface and underwater. This work provides a universal and simple method to boost the performance of TENGs.

提高三电纳米发电机(TENGs)的性能对其实际应用至关重要。传统方法具有固有的局限性,包括复杂性、成本增加以及对各种类型 TENG 的适用性受限。在这里,我们提出了一种新颖的三电化增强效应(TEE),可有效增强三电材料的三电荷,使电荷生成量显著提高 14.8 倍,输出能量惊人地增加 173.2 倍。TEE 提供了一种通用解决方案,可提高所有类型 TENG 的性能。使用 TEE 的接触分离模式 TENG 实现了超高传输电荷和功率密度,分别达到 2.2 μC 和 20.6 W/m3。在实施电源管理后,TENG 可产生 10.2 mA 的脉冲直流输出。重要的是,该原型可通过从水面和水下采集能量,为浮标和波浪预警系统提供无线传输动力。这项工作为提高 TENG 的性能提供了一种通用而简单的方法。
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引用次数: 0
A global statistical assessment of designing silicon-based solar cells for geographical markets 针对地域市场设计硅基太阳能电池的全球统计评估
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.02.023
Hesan Ziar

Here, we first visualize the achievable global efficiency for single-junction crystalline silicon cells and demonstrate how different regional markets have radically varied requirements for Si wafer thickness and injection level. Our findings showed that 219 g/kW of polysilicon can be conserved while producing slightly more electricity when c- Si cells are manufactured based on the global geographical market instead of standard test conditions. Then, we investigate the bifacial silicon cell and show that its optimal wafer thickness should be 1.67–2.89 times thicker than its monofacial counterpart, depending on the geographical region. Further, we study a double-junction two-terminal Si-based cell, reevaluate its theoretical limit as 42.8%, and illustrate that globally, tandem cells’ efficiency will only be slightly decreased when significantly reducing the bottom cell Si wafer thickness (−0.3%/mm). The outcomes of this study offer a blueprint to strategically design solar cells for target geographic markets, ensuring the conservation of substantial polysilicon volumes.

在此,我们首先对单结晶体硅电池的全球可实现效率进行了直观分析,并展示了不同地区市场对硅片厚度和注入水平的要求是如何截然不同的。我们的研究结果表明,根据全球地理市场而不是标准测试条件生产晶体硅电池,可以节省 219 克/千瓦的多晶硅,同时发电量略有增加。然后,我们对双面硅电池进行了研究,结果表明,根据地理区域的不同,其最佳晶片厚度应为单面硅电池的 1.67-2.89 倍。此外,我们还研究了双结双端硅基电池,重新评估了其 42.8% 的理论极限,并说明在全球范围内,大幅降低底部电池硅片厚度(-0.3%/mm)时,串联电池的效率只会略有下降。这项研究的成果为针对目标地区市场战略性地设计太阳能电池提供了蓝图,确保节约大量多晶硅。
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引用次数: 0
Another role of CO-formation catalyst in acidic tandem CO2 electroreduction: Local pH modulator 一氧化碳转化催化剂在酸性串联二氧化碳电还原中的另一作用:局部 pH 值调节器
IF 39.8 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-06-19 DOI: 10.1016/j.joule.2024.03.011
Fu-Zhi Li , Hai-Gang Qin , Huan-Lei Zhang , Xian Yue , Lin-Ke Fu , Bingjun Xu , Meng Lin , Jun Gu

Electrochemical CO2 reduction on Cu-based catalysts is a promising technique to convert CO2 to high-value C2 and C3 feedstocks. High carbon efficiency can be achieved in acidic electrolytes, but Cu-based catalysts show suppressed activity toward C2+ formation in acidic conditions. Acid removes the oxygen-containing species on Cu, which are necessary for C–C coupling. In this work, a gas diffusion electrode (GDE)/Cu/Ni-N-C tandem configuration, in which Ni-N-C served as a CO2-to-CO catalyst, expressed a 5-time enhancement of C2+ formation activity compared with GDE/Cu. Electrochemical measurements and finite element simulations indicate the improved C2+ formation activity was due to the elevated local pH rather than the increased CO concentration in the Cu catalyst layer. The major function of the CO-formation catalyst in the tandem system working in an acidic condition is to modulate the local pH near the Cu catalyst instead of producing CO intermediate for Cu.

在铜基催化剂上进行电化学二氧化碳还原是一种将二氧化碳转化为高价值 C2 和 C3 原料的可行技术。在酸性电解质中可以实现较高的碳效率,但铜基催化剂在酸性条件下形成 C2+ 的活性受到抑制。酸性物质会清除 Cu 上的含氧物种,而这些物种是 C-C 偶联所必需的。在这项研究中,气体扩散电极(GDE)/Cu/Ni-N-C 串联配置(Ni-N-C 作为 CO2 到 CO 催化剂)与 GDE/Cu 相比,C2+ 生成活性提高了 5 倍。电化学测量和有限元模拟表明,C2+形成活性的提高是由于局部 pH 值的升高,而不是 Cu 催化剂层中 CO 浓度的增加。在酸性条件下工作的串联系统中,CO 生成催化剂的主要功能是调节 Cu 催化剂附近的局部 pH 值,而不是为 Cu 生成 CO 中间产物。
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引用次数: 0
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