Nature Energy最新文献

英文中文

Machine learning-accelerated discovery of heat-resistant polysulfates for electrostatic energy storage

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-12-05 DOI: 10.1038/s41560-024-01670-z

He Li, Hongbo Zheng, Tianle Yue, Zongliang Xie, ShaoPeng Yu, Ji Zhou, Topprasad Kapri, Yunfei Wang, Zhiqiang Cao, Haoyu Zhao, Aidar Kemelbay, Jinlong He, Ge Zhang, Priscilla F. Pieters, Eric A. Dailing, John R. Cappiello, Miquel Salmeron, Xiaodan Gu, Ting Xu, Peng Wu, Ying Li, K. Barry Sharpless, Yi Liu

The development of heat-resistant dielectric polymers that withstand intense electric fields at high temperatures is critical for electrification. Balancing thermal stability and electrical insulation, however, is exceptionally challenging as these properties are often inversely correlated. A traditional intuition-driven polymer design approach results in a slow discovery loop that limits breakthroughs. Here we present a machine learning-driven strategy to rapidly identify high-performance, heat-resistant polymers. A trustworthy feed-forward neural network is trained to predict key proxy parameters and down select polymer candidates from a library of nearly 50,000 polysulfates. The highly efficient and modular sulfur fluoride exchange click chemistry enables successful synthesis and validation of selected candidates. A polysulfate featuring a 9,9-di(naphthalene)-fluorene repeat unit exhibits excellent thermal resilience and achieves ultrahigh discharged energy density with over 90% efficiency at 200 °C. Its exceptional cycling stability underscores its promise for applications in demanding electrified environments. Developing heat-resistant dielectric polymers for electrification is challenging due to the inverse relationship between thermal stability and electrical insulation. Using a machine learning-driven approach, the researchers identify and validate high-performance polymers that demonstrate promising thermal resilience and energy density for high-temperature applications.

开发能够承受高温强电场的耐热介电聚合物对电气化至关重要。然而，平衡热稳定性和电绝缘性是非常具有挑战性的，因为这些特性通常是负相关的。传统的直觉驱动聚合物设计方法导致发现循环缓慢，限制了突破。在这里，我们提出了一种机器学习驱动的策略来快速识别高性能，耐热聚合物。通过训练可信赖的前馈神经网络来预测关键代理参数，并从近50,000种聚硫酸盐库中选择候选聚合物。高效和模块化的氟化硫交换点击化学能够成功合成和验证选定的候选物。具有9,9-二（萘）-芴重复单元的聚硫酸盐具有优异的热弹性，在200°C下具有超过90%的效率实现超高的放电能量密度。其卓越的循环稳定性强调了其在苛刻的电气化环境中的应用前景。

{"title":"Machine learning-accelerated discovery of heat-resistant polysulfates for electrostatic energy storage","authors":"He Li, Hongbo Zheng, Tianle Yue, Zongliang Xie, ShaoPeng Yu, Ji Zhou, Topprasad Kapri, Yunfei Wang, Zhiqiang Cao, Haoyu Zhao, Aidar Kemelbay, Jinlong He, Ge Zhang, Priscilla F. Pieters, Eric A. Dailing, John R. Cappiello, Miquel Salmeron, Xiaodan Gu, Ting Xu, Peng Wu, Ying Li, K. Barry Sharpless, Yi Liu","doi":"10.1038/s41560-024-01670-z","DOIUrl":"10.1038/s41560-024-01670-z","url":null,"abstract":"The development of heat-resistant dielectric polymers that withstand intense electric fields at high temperatures is critical for electrification. Balancing thermal stability and electrical insulation, however, is exceptionally challenging as these properties are often inversely correlated. A traditional intuition-driven polymer design approach results in a slow discovery loop that limits breakthroughs. Here we present a machine learning-driven strategy to rapidly identify high-performance, heat-resistant polymers. A trustworthy feed-forward neural network is trained to predict key proxy parameters and down select polymer candidates from a library of nearly 50,000 polysulfates. The highly efficient and modular sulfur fluoride exchange click chemistry enables successful synthesis and validation of selected candidates. A polysulfate featuring a 9,9-di(naphthalene)-fluorene repeat unit exhibits excellent thermal resilience and achieves ultrahigh discharged energy density with over 90% efficiency at 200 °C. Its exceptional cycling stability underscores its promise for applications in demanding electrified environments. Developing heat-resistant dielectric polymers for electrification is challenging due to the inverse relationship between thermal stability and electrical insulation. Using a machine learning-driven approach, the researchers identify and validate high-performance polymers that demonstrate promising thermal resilience and energy density for high-temperature applications.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"10 1","pages":"90-100"},"PeriodicalIF":49.7,"publicationDate":"2024-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142777207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Extraction of ultrapure hydrogen from low-concentration sources 从低浓度源中提取超纯氢

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-12-04 DOI: 10.1038/s41560-024-01671-y

A tandem electrochemical hydrogen pump system achieves high efficiency in purifying hydrogen from dilute sources. With nearly 100% Faradaic efficiency at high current densities, this technology can produce ultrapure hydrogen (>99.999%) from a 10% feed, potentially reducing capital costs by 95% and energy consumption by 65% compared with conventional methods.

串联电化学氢泵系统实现了对稀源氢的高效净化。在高电流密度下，该技术具有接近100%的法拉第效率，可以从10%的原料中产生超纯氢（>99.999%），与传统方法相比，有可能降低95%的资本成本和65%的能耗。

引用次数: 0

Equally high efficiencies of organic solar cells processed from different solvents reveal key factors for morphology control 用不同溶剂加工的有机太阳能电池效率同样高，这揭示了形貌控制的关键因素

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-12-04 DOI: 10.1038/s41560-024-01678-5

Rui Zhang, Haiyang Chen, Tonghui Wang, Libor Kobera, Lilin He, Yuting Huang, Junyuan Ding, Ben Zhang, Azzaya Khasbaatar, Sadisha Nanayakkara, Jialei Zheng, Weijie Chen, Ying Diao, Sabina Abbrent, Jiri Brus, Aidan H. Coffey, Chenhui Zhu, Heng Liu, Xinhui Lu, Qing Jiang, Veaceslav Coropceanu, Jean-Luc Brédas, Yongfang Li, Yaowen Li, Feng Gao

The power conversion efficiency of organic solar cells (OSCs) is exceeding 20%, an advance in which morphology optimization has played a significant role. It is generally accepted that the processing solvent (or solvent mixture) can help optimize morphology, impacting the OSC efficiency. Here we develop OSCs that show strong tolerance to a range of processing solvents, with all devices delivering high power conversion efficiencies around 19%. By investigating the solution states, the film formation dynamics and the characteristics of the processed films both experimentally and computationally, we identify the key factors that control morphology, that is, the interactions between the side chains of the acceptor materials and the solvent as well as the interactions between the donor and acceptor materials. Our work provides new understanding on the long-standing question of morphology control and effective guides to design OSC materials towards practical applications, where green solvents are required for large-scale processing. The solvent choice for processing organic solar cells impacts layer morphology and ultimately device performance. By controlling the molecular interactions, Zhang et al. realize a solvent-independent morphology that leads to high device efficiency.

有机太阳能电池（OSCs）的功率转换效率超过20%，其中形态优化发挥了重要作用。人们普遍认为，加工溶剂（或溶剂混合物）有助于优化形貌，从而影响OSC效率。在这里，我们开发的OSCs对一系列加工溶剂具有很强的耐受性，所有器件的功率转换效率都在19%左右。通过实验和计算研究溶液状态、成膜动力学和加工膜的特性，我们确定了控制形貌的关键因素，即受体材料侧链与溶剂之间的相互作用以及供体和受体材料之间的相互作用。我们的工作为长期存在的形态控制问题提供了新的理解，并为OSC材料的实际应用设计提供了有效的指导，其中大规模加工需要绿色溶剂。

{"title":"Equally high efficiencies of organic solar cells processed from different solvents reveal key factors for morphology control","authors":"Rui Zhang, Haiyang Chen, Tonghui Wang, Libor Kobera, Lilin He, Yuting Huang, Junyuan Ding, Ben Zhang, Azzaya Khasbaatar, Sadisha Nanayakkara, Jialei Zheng, Weijie Chen, Ying Diao, Sabina Abbrent, Jiri Brus, Aidan H. Coffey, Chenhui Zhu, Heng Liu, Xinhui Lu, Qing Jiang, Veaceslav Coropceanu, Jean-Luc Brédas, Yongfang Li, Yaowen Li, Feng Gao","doi":"10.1038/s41560-024-01678-5","DOIUrl":"10.1038/s41560-024-01678-5","url":null,"abstract":"The power conversion efficiency of organic solar cells (OSCs) is exceeding 20%, an advance in which morphology optimization has played a significant role. It is generally accepted that the processing solvent (or solvent mixture) can help optimize morphology, impacting the OSC efficiency. Here we develop OSCs that show strong tolerance to a range of processing solvents, with all devices delivering high power conversion efficiencies around 19%. By investigating the solution states, the film formation dynamics and the characteristics of the processed films both experimentally and computationally, we identify the key factors that control morphology, that is, the interactions between the side chains of the acceptor materials and the solvent as well as the interactions between the donor and acceptor materials. Our work provides new understanding on the long-standing question of morphology control and effective guides to design OSC materials towards practical applications, where green solvents are required for large-scale processing. The solvent choice for processing organic solar cells impacts layer morphology and ultimately device performance. By controlling the molecular interactions, Zhang et al. realize a solvent-independent morphology that leads to high device efficiency.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"10 1","pages":"124-134"},"PeriodicalIF":49.7,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41560-024-01678-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142763691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrochemical pumps based on ion-pair membranes for separation of hydrogen from low-concentration mixtures 基于离子对膜的从低浓度混合物中分离氢的电化学泵

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-12-03 DOI: 10.1038/s41560-024-01669-6

Manjeet Chhetri, Daniel Philip Leonard, Sandip Maurya, Prashant Sharan, Youngkwang Kim, Alisa Kozhushner, Lior Elbaz, Nasser Ghorbani, Mehdi Rafiee, Cortney Kreller, Yu Seung Kim

Producing pure, compressed hydrogen from gas mixtures is a crucial, but expensive, aspect of hydrogen distribution. Electrochemical hydrogen pumps offer a promising energy-efficient solution, but struggle with gas mixtures containing less than 20% hydrogen. Here we show that electrochemical hydrogen pumps equipped with phosphate-coordinated quaternary ammonium ion-pair polymer membranes can overcome this challenge. By using a protonated phosphonic acid ionomer and selective cathode humidification, mass transport of the device is enhanced, boosting hydrogen production from low-concentration hydrogen gas mixtures. A tandem ion-pair electrochemical hydrogen pump system achieves high-purity hydrogen (>99.999%) from a 10% hydrogen–methane mixture with nearly 100% faradaic efficiency and hydrogen recovery. A techno-economic analysis reveals that electrochemical hydrogen pumps can reduce hydrogen delivery costs by up to 95% and energy consumption by up to 65% by allowing the use of existing natural gas pipelines, compared to traditional pressure swing adsorption and mechanical compression techniques. Electrochemical pumps can effectively purify and compress hydrogen for subsequent use in energy and industrial applications but struggle with low hydrogen concentrations. Here the authors present an electrochemical pump based on an ion-pair membrane that can produce high-purity hydrogen from a 10% blend in methane.

从气体混合物中生产纯的、压缩的氢是氢分配的一个关键但昂贵的方面。电化学氢泵提供了一种很有前途的节能解决方案，但在含氢量低于20%的气体混合物中却举步维艰。本研究表明，配备磷酸盐配位季铵离子对聚合物膜的电化学氢泵可以克服这一挑战。通过使用质子化磷酸离聚体和选择性阴极湿化，增强了设备的质量传递，促进了低浓度氢气混合物的氢气生产。串联离子对电化学氢泵系统从10%的氢-甲烷混合物中获得高纯度氢气（>99.999%），具有接近100%的法拉第效率和氢气回收率。一项技术经济分析表明，与传统的变压吸附和机械压缩技术相比，电化学氢泵可以使用现有的天然气管道，从而降低高达95%的氢气输送成本和高达65%的能源消耗。

{"title":"Electrochemical pumps based on ion-pair membranes for separation of hydrogen from low-concentration mixtures","authors":"Manjeet Chhetri, Daniel Philip Leonard, Sandip Maurya, Prashant Sharan, Youngkwang Kim, Alisa Kozhushner, Lior Elbaz, Nasser Ghorbani, Mehdi Rafiee, Cortney Kreller, Yu Seung Kim","doi":"10.1038/s41560-024-01669-6","DOIUrl":"10.1038/s41560-024-01669-6","url":null,"abstract":"Producing pure, compressed hydrogen from gas mixtures is a crucial, but expensive, aspect of hydrogen distribution. Electrochemical hydrogen pumps offer a promising energy-efficient solution, but struggle with gas mixtures containing less than 20% hydrogen. Here we show that electrochemical hydrogen pumps equipped with phosphate-coordinated quaternary ammonium ion-pair polymer membranes can overcome this challenge. By using a protonated phosphonic acid ionomer and selective cathode humidification, mass transport of the device is enhanced, boosting hydrogen production from low-concentration hydrogen gas mixtures. A tandem ion-pair electrochemical hydrogen pump system achieves high-purity hydrogen (>99.999%) from a 10% hydrogen–methane mixture with nearly 100% faradaic efficiency and hydrogen recovery. A techno-economic analysis reveals that electrochemical hydrogen pumps can reduce hydrogen delivery costs by up to 95% and energy consumption by up to 65% by allowing the use of existing natural gas pipelines, compared to traditional pressure swing adsorption and mechanical compression techniques. Electrochemical pumps can effectively purify and compress hydrogen for subsequent use in energy and industrial applications but struggle with low hydrogen concentrations. Here the authors present an electrochemical pump based on an ion-pair membrane that can produce high-purity hydrogen from a 10% blend in methane.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"9 12","pages":"1517-1528"},"PeriodicalIF":49.7,"publicationDate":"2024-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142760035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Breaking the molecular symmetricity of sulfonimide anions for high-performance lithium metal batteries under extreme cycling conditions 打破磺酰亚胺阴离子的分子对称性，实现极端循环条件下的高性能锂金属电池

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-28 DOI: 10.1038/s41560-024-01679-4

Yang Lu, Qingbin Cao, Weili Zhang, Tianyou Zeng, Yu Ou, Shuaishuai Yan, Hao Liu, Xuan Song, Haiyu Zhou, Wenhui Hou, Pan Zhou, Nan Hu, Qingqing Feng, Yong Li, Kai Liu

Lithium metal batteries operating under extreme conditions are limited by the sluggish desolvation process and poor stability of the electrode–electrolyte interphase. However, rational interphase design is hindered by the ill-defined understanding of interphasial chemistry at the molecular level. Here we design and synthesize a series of sulfoximide salts, lithium bis(trifluoromethanesulfinyl)imide (LiBSTFSI) and lithium (trifluoromethanesulfinyl)(trifluoromethanesulfonyl)imide (LiSTFSI), that possess distinctive oxidizability. Their molecular structure and interphasial chemistry were correlated. An anionic electro-polymerization was induced by the asymmetric LiSTFSI to establish a bilayer catholde–electrolyte interphase (CEI) with LiF dominated inner covered by negative-charged inorganic polymers. LiSTFSI-derived CEI enables superior mechanical stability and accelerated Li+ desolvation that contribute to the stable cycling and superior energy and power densities under ultra-high rate and ultra-low temperature conditions. Industrial pouch cells of 474 Wh kg−1 achieved extreme power density of 5,080 W kg−1 at 30 °C and exceptional low-temperature energy and power densities at −20 °C (382 Wh kg−1, 3,590 W kg−1) and −40 °C (321 Wh kg−1, 1,517 W kg−1). The unclear understanding of the interphase has limited advancements in battery performance. To address this, the authors designed sulfoximide salts with distinctive interphasial chemistry, enabling high-performance lithium metal batteries even under extreme conditions.

在极端条件下工作的锂金属电池受限于缓慢的去溶过程和电极-电解质间相的低稳定性。然而，合理的间相设计却因对分子水平的间相化学认识不清而受到阻碍。在此，我们设计并合成了一系列具有独特氧化性的亚磺酰亚胺盐--双（三氟甲烷亚磺酰基）亚胺锂（LiBSTFSI）和（三氟甲烷亚磺酰基）（三氟甲烷磺酰基）亚胺锂（LiSTFSI）。对它们的分子结构和相间化学性质进行了相关研究。不对称 LiSTFSI 诱导了阴离子电聚合，从而建立了双层阴电解质间相（CEI），其中以 LiF 为主，负电荷无机聚合物覆盖其内部。源自 LiSTFSI 的 CEI 具有出色的机械稳定性和加速 Li+ 解溶的能力，有助于在超高速和超低温条件下实现稳定的循环以及出色的能量和功率密度。474 Wh kg-1 的工业袋式电池在 30 °C 时的功率密度达到 5,080 W kg-1，在 -20 °C （382 Wh kg-1、3,590 W kg-1）和 -40 °C （321 Wh kg-1、1,517 W kg-1）时的低温能量和功率密度也非常出色。

{"title":"Breaking the molecular symmetricity of sulfonimide anions for high-performance lithium metal batteries under extreme cycling conditions","authors":"Yang Lu, Qingbin Cao, Weili Zhang, Tianyou Zeng, Yu Ou, Shuaishuai Yan, Hao Liu, Xuan Song, Haiyu Zhou, Wenhui Hou, Pan Zhou, Nan Hu, Qingqing Feng, Yong Li, Kai Liu","doi":"10.1038/s41560-024-01679-4","DOIUrl":"10.1038/s41560-024-01679-4","url":null,"abstract":"Lithium metal batteries operating under extreme conditions are limited by the sluggish desolvation process and poor stability of the electrode–electrolyte interphase. However, rational interphase design is hindered by the ill-defined understanding of interphasial chemistry at the molecular level. Here we design and synthesize a series of sulfoximide salts, lithium bis(trifluoromethanesulfinyl)imide (LiBSTFSI) and lithium (trifluoromethanesulfinyl)(trifluoromethanesulfonyl)imide (LiSTFSI), that possess distinctive oxidizability. Their molecular structure and interphasial chemistry were correlated. An anionic electro-polymerization was induced by the asymmetric LiSTFSI to establish a bilayer catholde–electrolyte interphase (CEI) with LiF dominated inner covered by negative-charged inorganic polymers. LiSTFSI-derived CEI enables superior mechanical stability and accelerated Li+ desolvation that contribute to the stable cycling and superior energy and power densities under ultra-high rate and ultra-low temperature conditions. Industrial pouch cells of 474 Wh kg−1 achieved extreme power density of 5,080 W kg−1 at 30 °C and exceptional low-temperature energy and power densities at −20 °C (382 Wh kg−1, 3,590 W kg−1) and −40 °C (321 Wh kg−1, 1,517 W kg−1). The unclear understanding of the interphase has limited advancements in battery performance. To address this, the authors designed sulfoximide salts with distinctive interphasial chemistry, enabling high-performance lithium metal batteries even under extreme conditions.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"10 2","pages":"191-204"},"PeriodicalIF":49.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142735608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions 从能耗和二氧化碳排放角度比较化学分离技术的混合建模方法

IF 56.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-27 DOI: 10.1038/s41560-024-01668-7

Gergo Ignacz, Aron K. Beke, Viktor Toth, Gyorgy Szekely

Accurate energy system modelling of chemical separations is a critical component of technology selection to minimize operating costs, energy consumption and emissions. Here we report a hybrid modelling approach based on data-driven and mechanistic models to holistically compare chemical separation performance. Our model can be used to select the most suitable technology for a given chemical separation, such as membrane separation, evaporation, extraction or hybrid configurations, by training a machine learning model to predict solute rejection using an open-access membrane dataset. We estimated an average 40% reduction in energy consumption and carbon dioxide emissions for industrially relevant separations using our methodology. We predicted and analysed 7.1 million solute rejections across several industrial sectors. Pharmaceutical purification could realize carbon dioxide emissions reductions of up to 90% by selecting the most efficient technology. We mapped the reduction in carbon dioxide emissions and the reduction in operating costs globally, establishing parameter thresholds to facilitate corporate and governmental decision-making.

准确的化学分离能源系统建模是技术选择的重要组成部分，可最大限度地降低运营成本、能耗和排放。在此，我们报告了一种基于数据驱动和机械模型的混合建模方法，以全面比较化学分离性能。我们的模型可用于为给定的化学分离选择最合适的技术，如膜分离、蒸发、萃取或混合配置，通过训练机器学习模型，使用开放获取的膜数据集预测溶质排斥。我们估计，使用我们的方法，工业相关分离的能耗和二氧化碳排放量平均可减少 40%。我们预测并分析了多个工业部门的 710 万次溶质剔除。通过选择最高效的技术，制药纯化可实现高达 90% 的二氧化碳减排。我们绘制了全球二氧化碳排放量减少和运营成本降低的地图，建立了参数阈值，以方便企业和政府决策。

{"title":"A hybrid modelling approach to compare chemical separation technologies in terms of energy consumption and carbon dioxide emissions","authors":"Gergo Ignacz, Aron K. Beke, Viktor Toth, Gyorgy Szekely","doi":"10.1038/s41560-024-01668-7","DOIUrl":"https://doi.org/10.1038/s41560-024-01668-7","url":null,"abstract":"Accurate energy system modelling of chemical separations is a critical component of technology selection to minimize operating costs, energy consumption and emissions. Here we report a hybrid modelling approach based on data-driven and mechanistic models to holistically compare chemical separation performance. Our model can be used to select the most suitable technology for a given chemical separation, such as membrane separation, evaporation, extraction or hybrid configurations, by training a machine learning model to predict solute rejection using an open-access membrane dataset. We estimated an average 40% reduction in energy consumption and carbon dioxide emissions for industrially relevant separations using our methodology. We predicted and analysed 7.1 million solute rejections across several industrial sectors. Pharmaceutical purification could realize carbon dioxide emissions reductions of up to 90% by selecting the most efficient technology. We mapped the reduction in carbon dioxide emissions and the reduction in operating costs globally, establishing parameter thresholds to facilitate corporate and governmental decision-making.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"64 1","pages":""},"PeriodicalIF":56.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142718300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Topological semimetals with intrinsic chirality as spin-controlling electrocatalysts for the oxygen evolution reaction 具有本征手性的拓扑半金属作为氧进化反应的自旋控制电催化剂

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-25 DOI: 10.1038/s41560-024-01674-9

Xia Wang, Qun Yang, Sukriti Singh, Horst Borrmann, Vicky Hasse, Changjiang Yi, Yongkang Li, Marcus Schmidt, Xiaodong Li, Gerhard H. Fecher, Dong Zhou, Binghai Yan, Claudia Felser

Electrocatalytic water splitting is a promising approach for clean hydrogen production, but the process is hindered by the sluggish kinetics of the anodic oxygen evolution reaction (OER) owing to the spin-dependent electron transfer process. Efforts to control spin through chirality and magnetization have shown potential in enhancing OER performance. Here we harnessed the potential of topological chiral semimetals (RhSi, RhSn and RhBiS) and their spin-polarized Fermi surfaces to promote the spin-dependent electron transfer in the OER, addressing the traditional volcano-plot limitations. We show that OER activities follow the trend RhSi < RhSn < RhBiS, corresponding to the increasing extent of spin–orbit coupling (SOC). The chiral single crystals outperform achiral counterparts (RhTe2, RhTe and RuO2) in alkaline electrolyte, with RhBiS exhibiting a specific activity two orders of magnitude higher than RuO2. Our work reveals the pivotal roles of chirality and SOC in spin-dependent catalysis, facilitating the design of ultra-efficient chiral catalysts. Oxygen evolution is a key reaction in electrolysers and involves a spin-dependent, multi-electron transfer process. Here the authors use topological semimetals with intrinsic chirality as a means to control spin in oxygen evolution catalysts, and explore the role of spin–orbit coupling in determining activity.

电催化水分离是一种很有前景的清洁制氢方法，但由于电子传递过程依赖于自旋，阳极氧进化反应（OER）的动力学缓慢，阻碍了这一过程的进行。通过手性和磁化控制自旋的努力已显示出提高阳极氧演化性能的潜力。在这里，我们利用拓扑手性半金属（RhSi、RhSn 和 RhBiS）及其自旋极化费米面的潜力，在 OER 中促进自旋依赖性电子转移，解决了传统火山图的局限性。我们发现，随着自旋轨道耦合（SOC）程度的增加，OER 活动也呈现出 RhSi < RhSn < RhBiS 的趋势。手性单晶在碱性电解质中的表现优于非手性单晶（RhTe2、RhTe 和 RuO2），其中 RhBiS 的比活度比 RuO2 高两个数量级。我们的研究揭示了手性和 SOC 在自旋依赖催化中的关键作用，有助于设计超高效手性催化剂。

{"title":"Topological semimetals with intrinsic chirality as spin-controlling electrocatalysts for the oxygen evolution reaction","authors":"Xia Wang, Qun Yang, Sukriti Singh, Horst Borrmann, Vicky Hasse, Changjiang Yi, Yongkang Li, Marcus Schmidt, Xiaodong Li, Gerhard H. Fecher, Dong Zhou, Binghai Yan, Claudia Felser","doi":"10.1038/s41560-024-01674-9","DOIUrl":"10.1038/s41560-024-01674-9","url":null,"abstract":"Electrocatalytic water splitting is a promising approach for clean hydrogen production, but the process is hindered by the sluggish kinetics of the anodic oxygen evolution reaction (OER) owing to the spin-dependent electron transfer process. Efforts to control spin through chirality and magnetization have shown potential in enhancing OER performance. Here we harnessed the potential of topological chiral semimetals (RhSi, RhSn and RhBiS) and their spin-polarized Fermi surfaces to promote the spin-dependent electron transfer in the OER, addressing the traditional volcano-plot limitations. We show that OER activities follow the trend RhSi < RhSn < RhBiS, corresponding to the increasing extent of spin–orbit coupling (SOC). The chiral single crystals outperform achiral counterparts (RhTe2, RhTe and RuO2) in alkaline electrolyte, with RhBiS exhibiting a specific activity two orders of magnitude higher than RuO2. Our work reveals the pivotal roles of chirality and SOC in spin-dependent catalysis, facilitating the design of ultra-efficient chiral catalysts. Oxygen evolution is a key reaction in electrolysers and involves a spin-dependent, multi-electron transfer process. Here the authors use topological semimetals with intrinsic chirality as a means to control spin in oxygen evolution catalysts, and explore the role of spin–orbit coupling in determining activity.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"10 1","pages":"101-109"},"PeriodicalIF":49.7,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41560-024-01674-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142696683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Capacity estimation of home storage systems using field data 利用现场数据估算家庭存储系统的容量

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-20 DOI: 10.1038/s41560-024-01662-z

Although regulation within the European Union requires manufacturers of battery storage systems to provide state-of-health estimates to customers, no standardized methods for such estimates exist. Now, a large open-access dataset from eight years of field measurements of home storage systems is presented, enabling the development of a capacity estimation method.

虽然欧盟的法规要求电池储能系统制造商向客户提供健康状况估算，但目前还没有标准化的估算方法。现在，通过对家用储能系统进行长达八年的实地测量，我们获得了一个大型开放式数据集，从而能够开发出一种容量估算方法。

引用次数: 0

Scalable fabrication of wide-bandgap perovskites using green solvents for tandem solar cells 利用绿色溶剂为串联太阳能电池规模化制造宽带隙过氧化物

IF 56.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-15 DOI: 10.1038/s41560-024-01672-x

Chenyang Duan, Han Gao, Ke Xiao, Vishal Yeddu, Bo Wang, Renxing Lin, Hongfei Sun, Pu Wu, Yameen Ahmed, Anh Dinh Bui, Xuntian Zheng, Yurui Wang, Jin Wen, Yinke Wang, Wennan Ou, Chenshuaiyu Liu, Yuhong Zhang, Hieu Nguyen, Haowen Luo, Ludong Li, Ye Liu, Xin Luo, Makhsud I. Saidaminov, Hairen Tan

Commercializing perovskite-based tandems necessitates environmentally friendly solvents for scalable fabrication of efficient wide-bandgap (WBG) (1.65–1.80 eV) perovskites. However, the green solvents developed for formamidinium lead iodide-based ~1.50-eV-bandgap perovskites are unsuitable for WBG perovskites due to the low solubility of caesium and bromide salts, leading to reliance on toxic N,N-dimethylformamide solvent. Here we present a green solvent system comprising dimethyl sulfoxide and acetonitrile to effectively dissolve the named salts, with the addition of ethyl alcohol to prevent precursor degradation and to extend the solution processing window. Using this green solvent mixture, we achieve blade-coated WBG perovskite solar cells with power conversion efficiencies of 19.6% (1.78 eV) and 21.5% (1.68 eV). We then demonstrate 20.25-cm² all-perovskite tandem solar modules with a power conversion efficiency of 23.8%. Furthermore, we achieved WBG perovskites deposited in ambient air and narrow-bandgap perovskites fabricated using the same green solvents, which promotes the viability of environmentally friendly fabrication.

要实现基于包光体的串联产品的商业化，就必须使用环保溶剂，以实现高效宽带隙（WBG）（1.65-1.80 eV）包光体的规模化制造。然而，由于铯盐和溴盐的溶解度较低，为碘化甲脒铅基 ~1.50 eV 带隙包光体开发的绿色溶剂并不适合 WBG 包光体，从而导致对有毒的 N,N-二甲基甲酰胺溶剂的依赖。在这里，我们提出了一种由二甲亚砜和乙腈组成的绿色溶剂系统，可有效溶解上述盐类，同时添加乙醇以防止前驱体降解并延长溶液处理时间。利用这种绿色混合溶剂，我们实现了叶片涂层 WBG 包晶太阳能电池，其功率转换效率分别为 19.6% (1.78 eV) 和 21.5% (1.68 eV)。然后，我们展示了 20.25 平方厘米的全包晶串联太阳能模块，其功率转换效率为 23.8%。此外，我们还实现了在环境空气中沉积 WBG 包晶石，并使用相同的绿色溶剂制造窄带隙包晶石，从而提高了环保制造的可行性。

{"title":"Scalable fabrication of wide-bandgap perovskites using green solvents for tandem solar cells","authors":"Chenyang Duan, Han Gao, Ke Xiao, Vishal Yeddu, Bo Wang, Renxing Lin, Hongfei Sun, Pu Wu, Yameen Ahmed, Anh Dinh Bui, Xuntian Zheng, Yurui Wang, Jin Wen, Yinke Wang, Wennan Ou, Chenshuaiyu Liu, Yuhong Zhang, Hieu Nguyen, Haowen Luo, Ludong Li, Ye Liu, Xin Luo, Makhsud I. Saidaminov, Hairen Tan","doi":"10.1038/s41560-024-01672-x","DOIUrl":"https://doi.org/10.1038/s41560-024-01672-x","url":null,"abstract":"Commercializing perovskite-based tandems necessitates environmentally friendly solvents for scalable fabrication of efficient wide-bandgap (WBG) (1.65–1.80 eV) perovskites. However, the green solvents developed for formamidinium lead iodide-based ~1.50-eV-bandgap perovskites are unsuitable for WBG perovskites due to the low solubility of caesium and bromide salts, leading to reliance on toxic N,N-dimethylformamide solvent. Here we present a green solvent system comprising dimethyl sulfoxide and acetonitrile to effectively dissolve the named salts, with the addition of ethyl alcohol to prevent precursor degradation and to extend the solution processing window. Using this green solvent mixture, we achieve blade-coated WBG perovskite solar cells with power conversion efficiencies of 19.6% (1.78 eV) and 21.5% (1.68 eV). We then demonstrate 20.25-cm2 all-perovskite tandem solar modules with a power conversion efficiency of 23.8%. Furthermore, we achieved WBG perovskites deposited in ambient air and narrow-bandgap perovskites fabricated using the same green solvents, which promotes the viability of environmentally friendly fabrication.","PeriodicalId":19073,"journal":{"name":"Nature Energy","volume":"37 1","pages":""},"PeriodicalIF":56.7,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142637106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Polyanions stabilize anion redox 多阴离子可稳定阴离子氧化还原

IF 49.7 1区材料科学 Q1 ENERGY & FUELS

Nature Energy

Pub Date : 2024-11-15 DOI: 10.1038/s41560-024-01664-x

Jagjit Nanda

Traditionally, lithium-ion battery cathodes face a trade-off between the energy density afforded by high-voltage anion reduction−oxidation and long-term stability. Now, incorporating polyanion motifs into a disordered oxide crystal structure is shown to stabilize the oxygen sublattice, improving capacity retention at high energy densities.

传统上，锂离子电池阴极需要在高压阴离子还原-氧化所提供的能量密度与长期稳定性之间进行权衡。现在，在无序氧化物晶体结构中加入多阴离子图案可以稳定氧亚晶格，提高高能量密度下的容量保持率。

引用次数: 0

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Nature 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.

﹀