Sustainable Energy & Fuels最新文献

筛选
英文 中文
Optimization of bacterial biorefineries for sustainable biodiesel production and flue gas reduction: a holistic approach to climate change mitigation and circular economy† 优化可持续生物柴油生产和减少烟道气的细菌生物精炼厂:减缓气候变化和循环经济的整体方法†
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-21 DOI: 10.1039/D4SE01516A
Rachael Jovita Barla, Suresh Gupta and Smita Raghuvanshi
{"title":"Optimization of bacterial biorefineries for sustainable biodiesel production and flue gas reduction: a holistic approach to climate change mitigation and circular economy†","authors":"Rachael Jovita Barla, Suresh Gupta and Smita Raghuvanshi","doi":"10.1039/D4SE01516A","DOIUrl":"https://doi.org/10.1039/D4SE01516A","url":null,"abstract":"<p >The primary obstacles to addressing the current climate change problem include a rise in worldwide energy consumption, a restricted availability of fossil fuels, and the escalating carbon emissions associated with fossil fuels. Consequently, there is a pressing need to investigate sustainable alternatives to fossil fuels. Biorefineries present a potentially viable avenue for the sustainable production of fuel, as they employ a range of technologies to convert biomass into biofuels. This research aims to examine the cultivation of bacterial biomass and biodiesel production using a biorefinery approach. This process achieves a removal efficiency of 96, 93, and 98% for CO<small><sub>2</sub></small>, SO<small><sub>2,</sub></small> and NO, respectively, and a bacterial biomass of 274 g cultivated in a 20 L integrated bioreactor. The biomass entails extracting lipids (58% w/w) to generate biodiesel (91% w/w). The metabolic pathway followed by bacteria to reduce flue gas and produce lipids was analyzed to improve the production of lipids and biodiesel. A life cycle assessment was performed to assess the environmental impacts during the process. Implementing alternative and safe chemicals can potentially mitigate the adverse effects of processes and GWP100. The techno-economic analysis aimed to systematically examine the capital investment required to set up a bacterial biorefinery as compared to conventional fuel refineries. The findings indicated that the bacterial biorefinery had a net present value of $193 per litre of biodiesel produced. A bacterial biorefinery holds promise in fostering a circular economy characterized by sustainable practices and systems that aim to minimize waste, optimize resource utilization, and encourage the reuse and recycling of materials.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1683-1708"},"PeriodicalIF":5.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Enhancing the solubility of anthrarufin by tethering alkyl phosphonate and mitigating capacity decay with an additive in aqueous organic redox flow batteries† 在有机氧化还原液流电池中,通过系聚膦酸烷基酯提高蒽醌的溶解度,并通过添加剂减轻容量衰减
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-21 DOI: 10.1039/D4SE00838C
Richa Gupta, Chinmaya Mirle and Kothandaraman Ramanujam
{"title":"Enhancing the solubility of anthrarufin by tethering alkyl phosphonate and mitigating capacity decay with an additive in aqueous organic redox flow batteries†","authors":"Richa Gupta, Chinmaya Mirle and Kothandaraman Ramanujam","doi":"10.1039/D4SE00838C","DOIUrl":"https://doi.org/10.1039/D4SE00838C","url":null,"abstract":"<p >Aqueous organic redox flow batteries are well-known for their high power density, excellent charge–discharge, and long cycle life. The use of redox-active organic materials is beneficial owing to their low cost, vast abundance, variable solubility with functionalization and energy storage potential. Herein, we introduced an ether-linked alkyl phosphonic acid group onto anthrarufin to form (((9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis(oxy))bis(propane-3,1-diyl))bis(phosphonic acid) (1,5-DPAQ) to increase its solubility from 0.07 M to 0.69 M in 1 M KOH and enhance energy density. However, an oxygen evolution reaction occurring at the catholyte, oxidation of the hydroquinone moiety of 1,5-DPAQ by diffused oxygen, and charge–transfer complex formation between 1,5-DPAQ and its hydroquinone form limit discharge capacity. To prevent the formation of this charge–transfer complex, <em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′-tetramethyl-1,3-propanediamine was introduced as an additive for the first time at the anolyte side, resulting in capacity regain and increase in cell voltage with cycling owing to the availability of 1,5-DPAQ during cell cycling.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1895-1903"},"PeriodicalIF":5.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Latest advances in research methods for high-yield cellulase production 高产纤维素酶研究方法的最新进展
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-20 DOI: 10.1039/D4SE01553C
Xiyuan Xiang, Youhong Zhang, Wei Wei and Guohong Zhou
{"title":"Latest advances in research methods for high-yield cellulase production","authors":"Xiyuan Xiang, Youhong Zhang, Wei Wei and Guohong Zhou","doi":"10.1039/D4SE01553C","DOIUrl":"https://doi.org/10.1039/D4SE01553C","url":null,"abstract":"<p >Lignocellulosic biomass, due to its accessibility, abundance, and environmental friendliness, has become a promising renewable resource. The key role of cellulases in the degradation of lignocellulosic biomass has been extensively studied and plays a critical role in various industrial applications. However, the high production costs, low enzymatic activity, and poor stability of cellulases limit their application. Consequently, an increasing number of studies are dedicated to enhancing the activity and stability of cellulases to achieve efficient and economical degradation and utilization of lignocellulosic biomass. This review comprehensively analyzes some methods currently used to enhance cellulase production and the latest research advancements. It mainly introduces high-yield cellulase strain screening, selection and breeding of high-yield cellulase-producing strains, molecular modification of cellulases, and cellulase immobilization. It discusses the shortcomings of these methods and the latest research progress, providing references for further improving the performance of cellulases in the future.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1617-1632"},"PeriodicalIF":5.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Chemically pre-lithiated/sodiated reduced graphene oxide–antimony oxide composites for high-rate capability and long-term cycling stability in lithium and sodium-ion batteries† 化学预锂化/酸化还原氧化石墨烯-氧化锑复合材料,用于锂和钠离子电池的高倍率性能和长期循环稳定性
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-20 DOI: 10.1039/D5SE00172B
Minseop Lee, Gi-Chan Kim and Seung-Min Paek
{"title":"Chemically pre-lithiated/sodiated reduced graphene oxide–antimony oxide composites for high-rate capability and long-term cycling stability in lithium and sodium-ion batteries†","authors":"Minseop Lee, Gi-Chan Kim and Seung-Min Paek","doi":"10.1039/D5SE00172B","DOIUrl":"https://doi.org/10.1039/D5SE00172B","url":null,"abstract":"<p >Utilizing ultrasonication and microwave irradiation processes, we present a straightforward synthetic route to microwave-irradiated reduced graphene oxide (MrGO)–antimony oxide (Sb<small><sub>2</sub></small>O<small><sub>3</sub></small>) composites used as anode materials for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs). Furthermore, after a chemical pre-lithiation (PL) and pre-sodiation (PS) process, PL-MrGO/Li<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> and PS-MrGO/Na<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> composites incorporating an inorganic solid electrolyte interface (SEI) layer and amorphous Li<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small>/Na<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> were prepared by drying in an ambient environment. The inorganic SEI, including Li(Na)OH already formed at the defect site where irreversible Li/Na-ion trapping occurs, inhibits the initial irreversible reaction and provides ∼100% initial coulombic efficiency. In addition, the amorphous Li<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> and Na<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> formed before the 1st discharge process promote improved cycling stability. For LIBs, the reversible capacity of the PL-MrGO/Li<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> anode is 877.7 mA h g<small><sup>−1</sup></small> at 100 mA g<small><sup>−1</sup></small> after 150 cycles and 315.3 mA h g<small><sup>−1</sup></small> after 3000 cycles at 5000 mA g<small><sup>−1</sup></small>. Also, for SIBs, PS-MrGO/Na<small><sub><em>x</em></sub></small>Sb<small><sub>2</sub></small>O<small><sub>3</sub></small> exhibits a reversible capacity of 313.1 mA h g<small><sup>−1</sup></small> at 1200 mA g<small><sup>−1</sup></small> after 3000 cycles. This rational structural design, which considers the irreversible reactions that occur during cycling, can be extended to the development of other high-performance anode materials.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1998-2013"},"PeriodicalIF":5.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00172b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Efficiency boost in perovskite solar cells via TiO2 nanodiscs embedded in the MoSe2 electron transport layer revealed by optoelectronic simulations† 光电模拟揭示了二氧化钛纳米片嵌入MoSe2电子传输层对钙钛矿太阳能电池效率的提升
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-20 DOI: 10.1039/D4SE01414F
Javad Maleki, Maryam Shahrostami, Siming Huang and Mojtaba Abdi-Jalebi
{"title":"Efficiency boost in perovskite solar cells via TiO2 nanodiscs embedded in the MoSe2 electron transport layer revealed by optoelectronic simulations†","authors":"Javad Maleki, Maryam Shahrostami, Siming Huang and Mojtaba Abdi-Jalebi","doi":"10.1039/D4SE01414F","DOIUrl":"https://doi.org/10.1039/D4SE01414F","url":null,"abstract":"<p >To improve the performance of inverted perovskite solar cells (IPSCs), we introduce a novel approach to enhance the devices' efficiency notably using the Finite Element Method (FEM). Our novel strategy incorporates a cutting-edge metasurface-based reflector featuring titanium dioxide (TiO<small><sub>2</sub></small>) nanodiscs within a MoSe<small><sub>2</sub></small> layer, employed as an electron transport layer (ETL). Demonstrating a substantial improvement in light reflection from the lower part of the structure, the TiO<small><sub>2</sub></small> nanodiscs as a metasurface-based reflector enhance electron transfer. Notably, the metasurface-based perfect reflector, incorporating TiO<small><sub>2</sub></small> nanodiscs, outperforms other TiO<small><sub>2</sub></small> nanocube variations with an impressive light reflectance of 97.95%. Exploring different materials for ETLs and hole transfer layers (HTLs), we identify molybdenum diselenide (MoSe<small><sub>2</sub></small>) as a potent secondary absorbent material, featuring a smaller bandgap than the primary absorbent CH<small><sub>3</sub></small>NH<small><sub>3</sub></small>PbI<small><sub>3</sub></small> (MAPbI<small><sub>3</sub></small>), thereby intensifying the electric field within the active layer and improving Power Conversion Efficiency (PCE). In the final evaluation, our inverted metasurface-based device structure (indium tin oxide (ITO)/cuprous oxide (Cu<small><sub>2</sub></small>O)/MAPbI<small><sub>3</sub></small>/TiO<small><sub>2</sub></small> nanodiscs and MoSe<small><sub>2</sub></small>/aluminum (Al)/silicon dioxide (SiO<small><sub>2</sub></small>)) significantly enhances the solar cell's electrical characteristics compared to the planar reference structure (ITO/copper(<small>I</small>) thiocyanate (CuSCN)/MAPbI<small><sub>3</sub></small>/TiO<small><sub>2</sub></small>/Al), with noteworthy increases in short circuit current density (<em>J</em><small><sub>sc</sub></small>), open circuit voltage (<em>V</em><small><sub>oc</sub></small>), and PCE values from 17.98 mA cm<small><sup>−2</sup></small> to 21.91 mA cm<small><sup>−2</sup></small>, 1.03 V to 1.07 V, and 15.33% to 19.17%, respectively. This comprehensive investigation underscores the promising potential of our proposed inverted metasurface-based device structure for advancing solar cell technology.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1797-1811"},"PeriodicalIF":5.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d4se01414f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Evolving solar cell manufacturing: the promising outlook of open-air perovskite printing 不断发展的太阳能电池制造:露天钙钛矿印刷的前景
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-19 DOI: 10.1039/D5SE00002E
Naresh-Kumar Pendyala, Ankita Kolay, Yallam Naidu Ponnada, Antonio Guerrero and Lioz Etgar
{"title":"Evolving solar cell manufacturing: the promising outlook of open-air perovskite printing","authors":"Naresh-Kumar Pendyala, Ankita Kolay, Yallam Naidu Ponnada, Antonio Guerrero and Lioz Etgar","doi":"10.1039/D5SE00002E","DOIUrl":"https://doi.org/10.1039/D5SE00002E","url":null,"abstract":"<p >Perovskite-based solar cells stand out as promising candidates due to their remarkable optoelectronic properties and cost-effective processing methods. These advanced materials have garnered considerable research interest owing to their rapidly increasing power conversion efficiencies. Additionally, perovskite solar cells (PSCs) can be flexible, lightweight, and semi-transparent, expanding their applicability. While conventional spin-coating techniques have achieved record power conversion efficiencies for PSCs, scalability remains a challenge. Furthermore, these materials face two significant hurdles: instability when exposed to open air and concerns regarding chemical toxicity, primarily from lead (Pb) and solvent use. Recent advancements have focused on open-air printing techniques, which offer scalability and adaptability for large-scale production. However, the lack of standardized fabrication protocols and the need to mitigate chemical toxicity remain ongoing challenges. In this comprehensive review, we thoroughly examine the latest developments in perovskite solar cell technology, with a particular emphasis on open-air printing processes. We explore the strategies employed to enhance stability, efficiency, and scalability, highlighting the critical role of open-air printing in achieving these objectives. Furthermore, this review addresses the challenges and opportunities associated with open-air printing, including material synthesis, and device architecture. We analyze recent breakthroughs in materials and interface, and solvent engineering, as well as device fabrication techniques, driving advancements in the field towards simplified, large-area fabrication protocols for PSCs.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1633-1655"},"PeriodicalIF":5.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d5se00002e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Boosting large scale capacitive harvesting of osmotic power by dynamic matching of ion exchange kinetics† 离子交换动力学的动态匹配促进渗透功率的大规模电容收集
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-19 DOI: 10.1039/D4SE01366B
Nicolas Chapuis and Lydéric Bocquet
{"title":"Boosting large scale capacitive harvesting of osmotic power by dynamic matching of ion exchange kinetics†","authors":"Nicolas Chapuis and Lydéric Bocquet","doi":"10.1039/D4SE01366B","DOIUrl":"https://doi.org/10.1039/D4SE01366B","url":null,"abstract":"<p >Osmotic energy is an untapped source of renewable and non-intermittent energy. However the performances of existing recovery technologies – <em>e.g.</em> pressure retarded osmosis (PRO) and reverse electro-dialysis (RED) – remain too low for sustainable industrial development, while the promising nanopore-based systems remain challenging to scale up. In this study, we explore an alternative osmotic energy harvesting methodology, based on a capacitive recovery process, furthermore at the membrane (large) scale, in contrast to nanopore-based investigations. The approach, here coined capacitive reversed electrodialysis, consists of using porous capacitive electrodes made of (low-cost) activated carbon and periodically alternating the flow through the electrodes with high-salt and low-salt water solutions on each side of a (commercial) cation exchange membrane. Periodic switches prevent full capacitive charging of the electrodes and the harvested power is found to be a non-monotonous function of the switching frequency. Theoretical modelling of the process demonstrates that this optimum results from the internal dynamic properties of the membrane, which has to match the switching frequency for maximal power harvesting. We then demonstrate that the power density accordingly reaches 5.3 W m<small><sup>−2</sup></small> under a 100-fold salinity gradient over a cm<small><sup>2</sup></small> membrane, surpassing both all large-scale studies in the literature and the commonly accepted (economic) break-even point of 5 W m<small><sup>−2</sup></small>. This study demonstrates the feasibility of large-scale, high-power density osmotic energy recovery and suggests a systematic avenue for an informed screening of materials, thus providing a viable pathway for sustainable energy solutions.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 2087-2097"},"PeriodicalIF":5.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Advances in next-generation electrochromic supercapacitors: emerging applications, challenges and future perspectives 新一代电致变色超级电容器的进展:新兴应用、挑战和未来展望
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-19 DOI: 10.1039/D4SE01551G
Lingaraj Pradhan, Tapas Kumar Das and Bikash Kumar Jena
{"title":"Advances in next-generation electrochromic supercapacitors: emerging applications, challenges and future perspectives","authors":"Lingaraj Pradhan, Tapas Kumar Das and Bikash Kumar Jena","doi":"10.1039/D4SE01551G","DOIUrl":"https://doi.org/10.1039/D4SE01551G","url":null,"abstract":"<p >Owing to the vast modernization and population growth, the global energy demand is rapidly increasing. Consequently, the excessive use of fossil fuels has become one of the main environmental pollution concerns, causing global warming. In this case, researchers are focusing their work on efficiently utilizing sustainable and renewable resources. One area of research focuses on electrochromic (Ec) energy storage devices, considering the widespread dependence of modern society on intelligent electronic gadgets, integration of smart windows, displays, <em>etc.</em> Electrochromism reverses the optical properties or colour of certain materials through redox reactions under the influence of an external potential. Recently, it was found out that integration of multi-functionality in a single gadget can result in meaningful applications. It can simultaneously scavenge and store energy as well as visually indicate the storage level through colour changes. This review article discusses the basic principles of electrochromic supercapacitor (EcSc) devices and provides a detailed study on the recent development of different materials for their fabrication. Furthermore, various ideas on developing the next-generation of integrated multifunctional energy storage devices are highlighted for future perspectives.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 8","pages":" 1917-1956"},"PeriodicalIF":5.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
High-throughput screening of high-activity oxygen carriers for chemical looping argon purification via a machine learning – density functional theory method† 基于机器学习-密度泛函理论的化学环氩净化高活性氧载体的高通量筛选
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-18 DOI: 10.1039/D4SE01575D
Shenglong Teng, Yiwen Song, Yu Qiu, Xinyu Li, Yixia Hong, Jian Zuo, Dewang Zeng and Kai Xu
{"title":"High-throughput screening of high-activity oxygen carriers for chemical looping argon purification via a machine learning – density functional theory method†","authors":"Shenglong Teng, Yiwen Song, Yu Qiu, Xinyu Li, Yixia Hong, Jian Zuo, Dewang Zeng and Kai Xu","doi":"10.1039/D4SE01575D","DOIUrl":"https://doi.org/10.1039/D4SE01575D","url":null,"abstract":"<p >Argon, a protective gas, is susceptible to contamination by impurity gases in the production of monocrystalline silicon for solar cells. Chemical looping combustion (CLC) technology offers a solution for argon recycling by leveraging the cyclic conversion of oxygen carriers. However, the desorption of low-concentration impurity gases requires high-activity oxygen carriers, and current screening methods primarily rely on experimental trial and error, which is time-consuming and labor-intensive. Herein, we propose machine learning-assisted Density Functional Theory (DFT) for high-throughput screening of oxygen carriers. Quaternary iron-based spinel oxygen carriers A1<small><sub><em>x</em></sub></small>A2<small><sub>1−<em>x</em></sub></small>B<small><sub><em>y</em></sub></small>Fe<small><sub>2−<em>y</em></sub></small> were used as the object of study. DFT calculations were conducted on 756 oxygen carriers, while the remaining 3619 were predicted through machine learning, achieving a prediction accuracy <em>R</em><small><sup>2</sup></small> of 0.87. Based on these predictions and a three-step screening criterion of synthesizability, thermodynamic stability, and reactivity, Cu<small><sub>0.875</sub></small>Ni<small><sub>0.125</sub></small>Al<small><sub>0.5</sub></small>Fe<small><sub>1.5</sub></small>O<small><sub>4</sub></small> exhibited the highest reactivity and its desorption of impurity gases is 6 times higher than that of fresh Fe<small><sub>2</sub></small>O<small><sub>3</sub></small>. In the stability test, Cu<small><sub>0.875</sub></small>Ni<small><sub>0.125</sub></small>Al<small><sub>0.5</sub></small>Fe<small><sub>1.5</sub></small>O<small><sub>4</sub></small> maintained 96% CO removal efficiency after 10 cycles, facilitating the cyclic purification of crude argon. This study provides new guidance for the design and discovery of high-activity materials through high-throughput screening.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 6","pages":" 1576-1587"},"PeriodicalIF":5.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/se/d4se01575d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143594496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
High capacity peanut shell-based hard carbon as a negative electrode for sodium-ion batteries† 高容量花生壳硬碳作为钠离子电池负极†
IF 5 3区 材料科学
Sustainable Energy & Fuels Pub Date : 2025-02-18 DOI: 10.1039/D4SE01617C
Hai-Lang Jia, Ke-Yang Chai, Peng-Cheng Ji and Yu-Jie Lu
{"title":"High capacity peanut shell-based hard carbon as a negative electrode for sodium-ion batteries†","authors":"Hai-Lang Jia, Ke-Yang Chai, Peng-Cheng Ji and Yu-Jie Lu","doi":"10.1039/D4SE01617C","DOIUrl":"https://doi.org/10.1039/D4SE01617C","url":null,"abstract":"<p >Biomass hard carbon, serving as a negative electrode material for sodium-ion batteries, boasts advantages such as abundant sources, low cost, and high sodium storage capacity, thus earning its reputation as a highly promising negative electrode material. We utilized discarded peanut shells as raw materials and prepared high-performance hard carbon through a two-step process involving hydrothermal treatment and high-temperature carbonization. The application of the hydrothermal method significantly enhanced the nanoscale structure of the material, resulting in a highly dispersed sheet-like structure that facilitates the infiltration of the electrolyte and enhances the sodium storage capacity. The prepared hard carbon exhibits a specific surface area of 7.1 m<small><sup>2</sup></small> g<small><sup>−1</sup></small> and an interlayer spacing of 0.406 nm. Serving as a negative electrode material for sodium-ion batteries, it demonstrates a reversible sodium storage capacity of up to 357.55 mA h g<small><sup>−1</sup></small> and a first coulombic efficiency of 63.4% at a current density of 30 mA g<small><sup>−1</sup></small>. PSHC-2 exhibits superior rate performance and good structural stability. The GITT test shows that PSHC-2 has good diffusion kinetics, which is beneficial for the insertion and extraction of sodium ions. The development of this new and efficient hard carbon negative electrode material has certain positive significance for the development of sodium ion batteries.</p>","PeriodicalId":104,"journal":{"name":"Sustainable Energy & Fuels","volume":" 7","pages":" 1822-1828"},"PeriodicalIF":5.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143698381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
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
确定
请完成安全验证×
相关产品
×
本文献相关产品
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信