Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2p states. The voltages of the redox reaction for LixMO2 were estimated from the analysis of the calculated Compton profiles. The estimated voltages agreed with the previous report. This study shows that Compton profile measurement can be a new nondestructive testing tool for the measurement of the local voltage in a lithium-ion battery.
{"title":"Voltage estimation of layered cathode materials LiMO2 (M=Al, Mn, Co, Ni, Cu, Zn) for lithium-ion batteries by using Compton profiles","authors":"Chunxia Gong , Hiroshi Sakurai , Yosuke Amada , Tomoya Ando , Manabu Takahashi","doi":"10.1016/j.nxener.2025.100249","DOIUrl":"10.1016/j.nxener.2025.100249","url":null,"abstract":"<div><div>Electronic structures were calculated by CRYSTAL14 code for the layered cathode materials LiMO<sub>2</sub> (M=Al, Mn, Co, Ni, Cu, Zn). Mülliken population and Compton profile analysis showed that the redox orbitals are dominated by the O 2<em>p</em> states. The voltages of the redox reaction for Li<sub>x</sub>MO<sub>2</sub> were estimated from the analysis of the calculated Compton profiles. The estimated voltages agreed with the previous report. This study shows that Compton profile measurement can be a new nondestructive testing tool for the measurement of the local voltage in a lithium-ion battery.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100249"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-18DOI: 10.1016/j.nxener.2025.100248
Jin Hee Lee , Merve Nur Ekmekci , Yeasin Khan , Bright Walker , Jung Hwa Seo
This study investigates the application of new hole transport layers (HTLs) integrating magnesium and palladium metals with the organic polymer poly(styrene sulfonate) (PSS) in organic solar cells (OSCs). When used alone, these HTLs exhibited various drawbacks; however, blending them with the benchmark material PEDOT:PSS mitigated these issues and improved efficiency. Ultraviolet photoelectron spectroscopy (UPS) and X-ray photoelectron spectroscopy (XPS) measurements provided a detailed understanding of the interfacial energy level alignment, electronic band structure, and band bending at the HTL/PTB7 interface. Single Mg:PSS and Pd:PSS OSCs showed efficiencies of 6.232 and 5.836%, respectively. The relatively low open-circuit voltage (VOC) and fill factor (FF) were attributed to Auger recombination under light intensity. UPS and XPS also indicated that the hole extraction capability of PTB7 was hindered, leading to recombination at the barrier. By blending with PEDOT:PSS, the efficiencies of Mg:PSS and Pd:PSS were improved to 8.356 and 8.303%, respectively. This improvement was due to reduced current leakage, resulting from higher shunt resistance and lower series resistance, as observed in dark current measurements. Additionally, the formation of ohmic contacts at the HTL/PTB7 interface enhanced hole extraction and reduced recombination. This study underscores the potential of mixed organic-metal HTL structures in OSCs to modulate energy band structures, providing insights into the selection of metal-organic combinations for optimizing OSC efficiency and performance.
{"title":"Enhanced p-doping and efficiency in organic solar cells using Mg and Pd ions at the HTL/PTB7 interface","authors":"Jin Hee Lee , Merve Nur Ekmekci , Yeasin Khan , Bright Walker , Jung Hwa Seo","doi":"10.1016/j.nxener.2025.100248","DOIUrl":"10.1016/j.nxener.2025.100248","url":null,"abstract":"<div><div>This study investigates the application of new hole transport layers (HTLs) integrating magnesium and palladium metals with the organic polymer poly(styrene sulfonate) (PSS) in organic solar cells (OSCs). When used alone, these HTLs exhibited various drawbacks; however, blending them with the benchmark material PEDOT:PSS mitigated these issues and improved efficiency. Ultraviolet photoelectron spectroscopy (UPS) and X-ray photoelectron spectroscopy (XPS) measurements provided a detailed understanding of the interfacial energy level alignment, electronic band structure, and band bending at the HTL/PTB7 interface. Single Mg:PSS and Pd:PSS OSCs showed efficiencies of 6.232 and 5.836%, respectively. The relatively low open-circuit voltage (V<sub>OC</sub>) and fill factor (FF) were attributed to Auger recombination under light intensity. UPS and XPS also indicated that the hole extraction capability of PTB7 was hindered, leading to recombination at the barrier. By blending with PEDOT:PSS, the efficiencies of Mg:PSS and Pd:PSS were improved to 8.356 and 8.303%, respectively. This improvement was due to reduced current leakage, resulting from higher shunt resistance and lower series resistance, as observed in dark current measurements. Additionally, the formation of ohmic contacts at the HTL/PTB7 interface enhanced hole extraction and reduced recombination. This study underscores the potential of mixed organic-metal HTL structures in OSCs to modulate energy band structures, providing insights into the selection of metal-organic combinations for optimizing OSC efficiency and performance.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100248"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Methanotrophs with other methane-assimilating microbes, are of prime importance due to their role in methane fixation, which helps to mitigate elevated atmospheric methane concentrations. With soaring demands of energy sector, major and foremost product of methane oxidation is biomethanol used as a biofuel which is catalyzed by the methane monooxgenases. Inherent methane oxidation capacity assists to palliate environmental distress, dependency on conventional non-renewable resources for chemical production processes. Sustainable future demands the energy rich molecules to be synthesised with least carbon emission. Many technologies have been developed and explored for methane-oxidizing systems, which looks to be lucrative towards establishing as biorefinery for manufacturing various chemicals ranging from energy rich molecules, fine chemicals, novel compounds, and nutraceuticals. Methane monooxygenases, the catalytic apparatus for methane oxidation, have added insights into comprehensive understanding; underpinning methanotrophs as valuable platform for biomanufacturing via mitigating methane footprint into drop-in fuels and high value biomolecules. The availability of modern molecular technologies based on synthetic biology and modern omics studies demonstrated methanotrophs can be efficient manufacturing platforms for producing novel products and tailoring at molecular level achieved better titre. Realizing the importance of the methane-based economy, this review focusses on summarizing basics of the methanotrophic systems, their catalytic machinery for methane capture via methane monooxygenase system etc. Further, this review includes the recent advancements while emphasizing on the foremost biofuel entity, i.e. methanol, production by methanotrophs. Later part is focused on their application as biocatalysts and biorefineries to produce various valuable molecules such as drop-in-fuels and platform chemicals.
{"title":"Microbial methanotrophy: Methane capture to biomanufacturing of platform chemicals and fuels","authors":"Tanushree Baldeo Madavi , Sushma Chauhan , Vini Madathil , Mugesh Sankaranarayanan , Balakrishnan Navina , Nandha Kumar Velmurugan , Kwon-Young Choi , Harinarayana Ankamareddy , Hemasundar Alavilli , Sudheer D.V.N. Pamidimarri","doi":"10.1016/j.nxener.2025.100251","DOIUrl":"10.1016/j.nxener.2025.100251","url":null,"abstract":"<div><div>Methanotrophs with other methane-assimilating microbes, are of prime importance due to their role in methane fixation, which helps to mitigate elevated atmospheric methane concentrations. With soaring demands of energy sector, major and foremost product of methane oxidation is biomethanol used as a biofuel which is catalyzed by the methane monooxgenases. Inherent methane oxidation capacity assists to palliate environmental distress, dependency on conventional non-renewable resources for chemical production processes. Sustainable future demands the energy rich molecules to be synthesised with least carbon emission. Many technologies have been developed and explored for methane-oxidizing systems, which looks to be lucrative towards establishing as biorefinery for manufacturing various chemicals ranging from energy rich molecules, fine chemicals, novel compounds, and nutraceuticals. Methane monooxygenases, the catalytic apparatus for methane oxidation, have added insights into comprehensive understanding; underpinning methanotrophs as valuable platform for biomanufacturing via mitigating methane footprint into drop-in fuels and high value biomolecules. The availability of modern molecular technologies based on synthetic biology and modern omics studies demonstrated methanotrophs can be efficient manufacturing platforms for producing novel products and tailoring at molecular level achieved better titre. Realizing the importance of the methane-based economy, this review focusses on summarizing basics of the methanotrophic systems, their catalytic machinery for methane capture via methane monooxygenase system etc. Further, this review includes the recent advancements while emphasizing on the foremost biofuel entity, i.e. methanol, production by methanotrophs. Later part is focused on their application as biocatalysts and biorefineries to produce various valuable molecules such as drop-in-fuels and platform chemicals.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100251"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Electrification of energy use in buildings is a promising strategy for reducing greenhouse gas emissions and facilitating the transition to a carbon-neutral society. Increasing the electrification of building energy demand creates opportunities to leverage energy flexibility for optimizing energy consumption within buildings. However, existing research on energy flexibility in buildings lacks a comprehensive evaluation of software solutions capable of effectively harnessing this potential. This study addresses this gap by conducting a detailed review of 203 commercial and 40 free open-source software tools designed for energy management in buildings and districts. These tools were evaluated based on their ability to manage key aspects of energy flexibility, including demand response, integration with renewable energy systems, scalability, and real-time control. Our analysis reveals that only 20% of commercial software supports robust energy flexibility, compared to 73% of free open-source tools. To guide future software development, this study proposes the following recommendations: (1) enhance scalability to enable deployment in large-scale community buildings, (2) incorporate benchmarking metrics to offer a Pareto front of optimal end-use solutions, (3) include key performance indicators (KPIs), (4) integrate fault detection, tolerance, and diagnostic methods, (5) implement cloud, fog, and edge computing services to improve reliability and operability, (6) ensure greater flexibility in communication, interoperability, and seamless data exchange, and (7) adopt Internet of Things (IoT) and blockchain technologies.
{"title":"Energy flexibility and management software in building clusters: A comprehensive review","authors":"Behnam Mohseni-Gharyehsafa , Adamantios Bampoulas , Donal Finn , Fabiano Pallonetto","doi":"10.1016/j.nxener.2025.100250","DOIUrl":"10.1016/j.nxener.2025.100250","url":null,"abstract":"<div><div>Electrification of energy use in buildings is a promising strategy for reducing greenhouse gas emissions and facilitating the transition to a carbon-neutral society. Increasing the electrification of building energy demand creates opportunities to leverage energy flexibility for optimizing energy consumption within buildings. However, existing research on energy flexibility in buildings lacks a comprehensive evaluation of software solutions capable of effectively harnessing this potential. This study addresses this gap by conducting a detailed review of 203 commercial and 40 free open-source software tools designed for energy management in buildings and districts. These tools were evaluated based on their ability to manage key aspects of energy flexibility, including demand response, integration with renewable energy systems, scalability, and real-time control. Our analysis reveals that only 20% of commercial software supports robust energy flexibility, compared to 73% of free open-source tools. To guide future software development, this study proposes the following recommendations: (1) enhance scalability to enable deployment in large-scale community buildings, (2) incorporate benchmarking metrics to offer a Pareto front of optimal end-use solutions, (3) include key performance indicators (KPIs), (4) integrate fault detection, tolerance, and diagnostic methods, (5) implement cloud, fog, and edge computing services to improve reliability and operability, (6) ensure greater flexibility in communication, interoperability, and seamless data exchange, and (7) adopt Internet of Things (IoT) and blockchain technologies.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100250"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-13DOI: 10.1016/j.nxener.2025.100244
Amir Kouravand , Sara Tamjid Shabestari , Nastaran Zirak , Ghasem Kasaeian , Leila Fereidooni , Alibakhsh Kasaeian
In this study, thermal management strategies aimed at enhancing freshwater production in portable double-slope solar stills, designed specifically for water-scarce regions, prioritizing lightweight and portable configurations, are investigated. The findings reveal poly methyl methacrylate (PMMA) as the optimal slope cover material, achieving a freshwater output of 70 mL during peak hours under a 40° tilt angle. Additionally, this configuration demonstrates the highest daily freshwater production, an impressive 275 mL per liter of brine water in the basin. This study significantly enhances system efficiency by implementing insulation, a metal absorber plate, and phase change materials (PCM) enhancements. This culminates in substantial improvements across various scenarios: 40.5% (insulation), 36.6% (aluminum), 36.1% (PCM), and a remarkable 45.2% for the insulation/aluminum/PCM configuration. The combination design demonstrates an outstanding daily freshwater production of 385 mL, emphasizing the remarkable capabilities of these advanced thermal management strategies. These results underscore the transformative potential of advanced thermal management strategies, providing sustainable solutions for water-scarce regions. Moreover, the study addresses total dissolved solids (TDS) in distilled water, achieving an outstanding 95.8% reduction. Total dissolved solids levels drop from an initial 4970 ppm in saline water to below 200 ppm, aligning impeccably with World Health Organization (WHO) standards.
{"title":"Thermal management strategies for a portable double slope solar still with energy storage: An experimental study for enhancing the performance","authors":"Amir Kouravand , Sara Tamjid Shabestari , Nastaran Zirak , Ghasem Kasaeian , Leila Fereidooni , Alibakhsh Kasaeian","doi":"10.1016/j.nxener.2025.100244","DOIUrl":"10.1016/j.nxener.2025.100244","url":null,"abstract":"<div><div>In this study, thermal management strategies aimed at enhancing freshwater production in portable double-slope solar stills, designed specifically for water-scarce regions, prioritizing lightweight and portable configurations, are investigated. The findings reveal poly methyl methacrylate (PMMA) as the optimal slope cover material, achieving a freshwater output of 70 mL during peak hours under a 40° tilt angle. Additionally, this configuration demonstrates the highest daily freshwater production, an impressive 275 mL per liter of brine water in the basin. This study significantly enhances system efficiency by implementing insulation, a metal absorber plate, and phase change materials (PCM) enhancements. This culminates in substantial improvements across various scenarios: 40.5% (insulation), 36.6% (aluminum), 36.1% (PCM), and a remarkable 45.2% for the insulation/aluminum/PCM configuration. The combination design demonstrates an outstanding daily freshwater production of 385 mL, emphasizing the remarkable capabilities of these advanced thermal management strategies. These results underscore the transformative potential of advanced thermal management strategies, providing sustainable solutions for water-scarce regions. Moreover, the study addresses total dissolved solids (TDS) in distilled water, achieving an outstanding 95.8% reduction. Total dissolved solids levels drop from an initial 4970 ppm in saline water to below 200 ppm, aligning impeccably with World Health Organization (WHO) standards.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100244"},"PeriodicalIF":0.0,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143403714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-12DOI: 10.1016/j.nxener.2025.100238
Mohamad Hasan Aleinawi , Maria Stefan , Eminenur Saritas , Abdalla Hroub , Feray Bakan-Misirlioglu , Sergiu Macavei , Lucian Barbu Tudoran , Kuray Dericiler , Burcu Saner Okan , Emre Erdem , Arpad Mihai Rostas
Supercapacitors are unique energy storage devices that bridge the gap between Li-ion batteries and conventional capacitors with higher power/energy densities, longer life cycles, and more rapid charge/discharge rates. Research efforts are concentrated on optimizing the performance of supercapacitors (SCs), addressing a crucial component of these devices: the electrode materials, which should provide large active surface areas, display high electrical conductivities, and possess stable chemical properties. To achieve this, in this study, undoped and Mn-doped MgO−TiO2 nanocrystals and coffee-waste-derived carbon were used as electrode materials for symmetric and asymmetric supercapacitors yielding adequate performance. The structural study was performed by X-ray diffraction and Raman analysis, showing a phase mixture of tetragonal Anatase TiO2, cubic MgO, and orthorhombic MgTi2O5 nanocrystals. Electron paramagnetic resonance and photoluminescence spectroscopy analysis were used to provide insight into the defective structure of the composites. The electrochemical performance was tested by cyclic voltammetry, impedance, voltage holding, and galvanostatic cycling with potential limitations. The SCs exhibited promising results for specific capacitances up to 100 and 221 F/g for symmetric and asymmetric (containing coffee-waste-derived carbon as a counter electrode) supercapacitor devices, respectively. At the same time, enhanced energy and power density values of 30.7 Wh/kg and 122.8 kW/kg were reached.
{"title":"Synergy between MgO and TiO2 doped with Mn2+ ions for supercapacitor applications","authors":"Mohamad Hasan Aleinawi , Maria Stefan , Eminenur Saritas , Abdalla Hroub , Feray Bakan-Misirlioglu , Sergiu Macavei , Lucian Barbu Tudoran , Kuray Dericiler , Burcu Saner Okan , Emre Erdem , Arpad Mihai Rostas","doi":"10.1016/j.nxener.2025.100238","DOIUrl":"10.1016/j.nxener.2025.100238","url":null,"abstract":"<div><div>Supercapacitors are unique energy storage devices that bridge the gap between Li-ion batteries and conventional capacitors with higher power/energy densities, longer life cycles, and more rapid charge/discharge rates. Research efforts are concentrated on optimizing the performance of supercapacitors (SCs), addressing a crucial component of these devices: the electrode materials, which should provide large active surface areas, display high electrical conductivities, and possess stable chemical properties. To achieve this, in this study, undoped and Mn-doped MgO−TiO<sub>2</sub> nanocrystals and coffee-waste-derived carbon were used as electrode materials for symmetric and asymmetric supercapacitors yielding adequate performance. The structural study was performed by X-ray diffraction and Raman analysis, showing a phase mixture of tetragonal Anatase TiO<sub>2</sub>, cubic MgO, and orthorhombic MgTi<sub>2</sub>O<sub>5</sub> nanocrystals. Electron paramagnetic resonance and photoluminescence spectroscopy analysis were used to provide insight into the defective structure of the composites. The electrochemical performance was tested by cyclic voltammetry, impedance, voltage holding, and galvanostatic cycling with potential limitations. The SCs exhibited promising results for specific capacitances up to 100 and 221<!--> <!-->F/g for symmetric and asymmetric (containing coffee-waste-derived carbon as a counter electrode) supercapacitor devices, respectively. At the same time, enhanced energy and power density values of 30.7<!--> <!-->Wh/kg and 122.8<!--> <!-->kW/kg were reached.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100238"},"PeriodicalIF":0.0,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-06DOI: 10.1016/j.nxener.2024.100235
Zhirong Liu , Xiongjie Li , Xiaoting Ma , Haixuan Yu , Wanpeng Yang , Ronghua Luo , Yuping Liu , Yan Shen , Mingkui Wang
Here, we propose a simple low-temperature solution spin-coating combined with a vacuum-assisted chemical vapor deposition method to fabricate AgBiS2 thin films for flexible near-infrared (NIR) photodetectors. Using a simple metal/semiconductor/metal device as a demonstration, the as-prepared AgBiS2-based flexible NIR photodetectors (NPDs) exhibit a high linear dynamic range of 103.6 dB. The photodetectors exhibit high responsivity from UV to NIR with a maximum sensitivity of 16.9 A W−1 and a detectivity of 2.31 × 1011 Jones at a bias voltage of 1 V under 850 nm illumination. Meanwhile, after 2700 bending cycles, the flexible devices retain strong bending stability with a negligible decrease in photocurrent. We also built a hemispherical apparatus based on the AgBiS2 flexible NPD to demonstrate its wide-angle detection capability.
{"title":"Preparation of AgBiS2 thin films with vapor-assisted solution method for flexible near-infrared photodetectors","authors":"Zhirong Liu , Xiongjie Li , Xiaoting Ma , Haixuan Yu , Wanpeng Yang , Ronghua Luo , Yuping Liu , Yan Shen , Mingkui Wang","doi":"10.1016/j.nxener.2024.100235","DOIUrl":"10.1016/j.nxener.2024.100235","url":null,"abstract":"<div><div>Here, we propose a simple low-temperature solution spin-coating combined with a vacuum-assisted chemical vapor deposition method to fabricate AgBiS<sub>2</sub> thin films for flexible near-infrared (NIR) photodetectors. Using a simple metal/semiconductor/metal device as a demonstration, the as-prepared AgBiS<sub>2</sub>-based flexible NIR photodetectors (NPDs) exhibit a high linear dynamic range of 103.6 dB. The photodetectors exhibit high responsivity from UV to NIR with a maximum sensitivity of 16.9 A W<sup>−1</sup> and a detectivity of 2.31 × 10<sup>11</sup> Jones at a bias voltage of 1 V under 850 nm illumination. Meanwhile, after 2700 bending cycles, the flexible devices retain strong bending stability with a negligible decrease in photocurrent. We also built a hemispherical apparatus based on the AgBiS<sub>2</sub> flexible NPD to demonstrate its wide-angle detection capability.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"7 ","pages":"Article 100235"},"PeriodicalIF":0.0,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143216557","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-03DOI: 10.1016/j.nxener.2025.100247
Ning Yuan , Jing Liu , Wenhao Sun , Min Wang , Changming Mao , Kun Chao , Zhenfang Zhou , Xiaosong Guo , Zhonghua Zhang , Guicun Li
Rechargeable Mg-metal batteries represent attractive alternatives to Li-ion/Li-metal counterparts owing to resource sustainability, cost and safety superiorities. Grignard reagents-based electrolytes enable Mg plating/stripping reversibly, but properties are still not satisfactory. In this work, a general and simple salts-mediating approach is proposed to enrich electrochemically-active species in Grignard reagents-based electrolytes. This hybrid electrolyte exhibits high ionic conductivity of 19.47 mS cm−1 (vs. 5.65 mS cm−1 for pure electrolytes), desirable electrochemical window (2.75 V vs. 1.75 V for pure electrolytes), exceptional Mg plating/stripping properties (140 cycles vs. 40 cycles for pure electrolytes). After introducing magnesium bis(trifluoromethanesulfonimide)/diglyme (abbreviated as “Mg(TFSI)2/G2”), originally negatively-charged ion pair species, such as [MgCl3]− and [Mg2Cl5]−, that adversely contribute to ionic conductivity and charge transfer processes, transform to active cations of [Mg(G2)2]2+ and [MgCl]+ through Mg2+-assisted Mg-Cl bond dissociation. This greatly improves active ion accessibility for Mg-metal anode and is beneficial for uniform Mg electrodeposition. In addition, unique MgCl-rich and carbonyl organic compounds-containing interphases are unveiled, which is conducive to active Mg electrodeposition. This general and simple salts-mediating approach can be extended to design better electrolytes for next-generation multivalent-metal batteries.
{"title":"General and simple salts-mediating approach enables superior magnesium plating/stripping properties","authors":"Ning Yuan , Jing Liu , Wenhao Sun , Min Wang , Changming Mao , Kun Chao , Zhenfang Zhou , Xiaosong Guo , Zhonghua Zhang , Guicun Li","doi":"10.1016/j.nxener.2025.100247","DOIUrl":"10.1016/j.nxener.2025.100247","url":null,"abstract":"<div><div>Rechargeable Mg-metal batteries represent attractive alternatives to Li-ion/Li-metal counterparts owing to resource sustainability, cost and safety superiorities. Grignard reagents-based electrolytes enable Mg plating/stripping reversibly, but properties are still not satisfactory. In this work, a general and simple salts-mediating approach is proposed to enrich electrochemically-active species in Grignard reagents-based electrolytes. This hybrid electrolyte exhibits high ionic conductivity of 19.47 mS cm<sup>−1</sup> (vs. 5.65 mS cm<sup>−1</sup> for pure electrolytes), desirable electrochemical window (2.75 V vs. 1.75 V for pure electrolytes), exceptional Mg plating/stripping properties (140 cycles vs. 40 cycles for pure electrolytes). After introducing magnesium bis(trifluoromethanesulfonimide)/diglyme (abbreviated as “Mg(TFSI)<sub>2</sub>/G2”), originally negatively-charged ion pair species, such as [MgCl<sub>3</sub>]<sup>−</sup> and [Mg<sub>2</sub>Cl<sub>5</sub>]<sup>−</sup>, that adversely contribute to ionic conductivity and charge transfer processes, transform to active cations of [Mg(G2)<sub>2</sub>]<sup>2+</sup> and [MgCl]<sup>+</sup> through Mg<sup>2+</sup>-assisted Mg-Cl bond dissociation. This greatly improves active ion accessibility for Mg-metal anode and is beneficial for uniform Mg electrodeposition. In addition, unique MgCl-rich and carbonyl organic compounds-containing interphases are unveiled, which is conducive to active Mg electrodeposition. This general and simple salts-mediating approach can be extended to design better electrolytes for next-generation multivalent-metal batteries.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"7 ","pages":"Article 100247"},"PeriodicalIF":0.0,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Redox additives have been widely used in various electrolytes to achieve an increase in the energy density of hybrid capacitors. This study investigates the trade-off mechanism of energy density and cycle stability for electrochemical capacitors with redox additives. To do so, a 1-dimensional electrochemical model considering both electric double layer and redox actions is performed for carbon-based hybrid capacitors with electrolyte of 1 mol L−1 tetraethylammonium tetrafluoroborate/acetonitrile and redox additives hydroquinone. The results show that electrochemical capacitors with redox additives worked in either Faradaic or capacitive regimes, distinguished by the “capacitor-like” or “battery-like” potential-time curve. In addition, the energy density of the device increased with the increase in concentration of hydroquinone and the decrease in imposed current density. The temporal evolution of Coulombic efficiency and spatial average concentration of hydroquinone over cycles indicate a transition from developing state to steady state. The number of cycles required for both parameters to stabilize is identical. Finally, the Faradaic regime is favored for energy density improvement. On the other hand, highly weighted cycle stability could allow relatively higher imposed current density. The results of this study can be used to further guide the design and optimization of hybrid electrochemical systems with redox additives.
{"title":"Understanding the trade-off mechanisms of energy storage and cycle stability for hybrid electrochemical capacitors with redox additives","authors":"Jingyu Li, Bing-Ang Mei, Huihua Feng, Zhengxing Zuo, Rui Xiong","doi":"10.1016/j.nxener.2025.100243","DOIUrl":"10.1016/j.nxener.2025.100243","url":null,"abstract":"<div><div>Redox additives have been widely used in various electrolytes to achieve an increase in the energy density of hybrid capacitors. This study investigates the trade-off mechanism of energy density and cycle stability for electrochemical capacitors with redox additives. To do so, a 1-dimensional electrochemical model considering both electric double layer and redox actions is performed for carbon-based hybrid capacitors with electrolyte of 1 mol L<sup>−1</sup> tetraethylammonium tetrafluoroborate/acetonitrile and redox additives hydroquinone. The results show that electrochemical capacitors with redox additives worked in either Faradaic or capacitive regimes, distinguished by the “capacitor-like” or “battery-like” potential-time curve. In addition, the energy density of the device increased with the increase in concentration of hydroquinone and the decrease in imposed current density. The temporal evolution of Coulombic efficiency and spatial average concentration of hydroquinone over cycles indicate a transition from developing state to steady state. The number of cycles required for both parameters to stabilize is identical. Finally, the Faradaic regime is favored for energy density improvement. On the other hand, highly weighted cycle stability could allow relatively higher imposed current density. The results of this study can be used to further guide the design and optimization of hybrid electrochemical systems with redox additives.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"8 ","pages":"Article 100243"},"PeriodicalIF":0.0,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143171117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-01-31DOI: 10.1016/j.nxener.2025.100245
Joseph Kariuki , Nicholas Rono , Chinedu Christian Ahia , Eric Kibagendi Osoro , Edson L. Meyer
As a result of the advances in technology and the need for energy, an urge to develop a stable, high performance solar cell has initiated various scientific intentions to attain a cheaper and clean energy supply. In this work, a hole transport free (HTL-free) perovskite solar cell (PSC) with an architecture: FTO/ZnO-g-C3N4/CH3NH3PbI3/carbon was examined. The simulated device was validated with the already fabricated device in the literature. The electron transport layer (ETL) was a blend with ZnO and graphitic carbon nitride, and named GT1, GT3 and GT5 materials in different ratios. The band gap values of the proposed ETL were 3.06, 3.06, 3.10, and 2.97 eV for pure ZnO, GT1, GT3 and GT5 respectively. Simulations were carried out with an aid of a solar cell capacitance simulator (SCAPS-ID) conducted at AM 1.5 G and 100 mW cm−2. The optimal density defect of the absorber was maintained at 1.0 × 1012 cm−3, while the donor doping density of the ETL was achieved at 1.5 × 1022 cm−3 doping level. Utilization of palladium as the back contact led to achievement of a higher efficiency. The best device (with GT5 as ETL) achieved a decent power conversion efficiency of (PCE) of above 14%, a fill factor (FF) of 12.84%, a short circuit current density (Jsc) of 18.24 mA cm−2 and an open circuit voltage (Voc) of 6.04 V. The achieved PCE of above 14% was about 1.93% higher than the experimental value of PCE of 12.22%. Nonetheless, the proposed ETL materials were chosen by mimicking the actual experimental investigation with an aim of giving more insights theoretically. These results will help in further advancement and fabrication of the high performance HTL-free perovskite solar cells (PSCs) for anticipated commercialization.
{"title":"Numerical simulation of an HTL-free carbon-based perovskite solar cell with graphitic carbon nitride doped zinc oxide as electron transport layers","authors":"Joseph Kariuki , Nicholas Rono , Chinedu Christian Ahia , Eric Kibagendi Osoro , Edson L. Meyer","doi":"10.1016/j.nxener.2025.100245","DOIUrl":"10.1016/j.nxener.2025.100245","url":null,"abstract":"<div><div>As a result of the advances in technology and the need for energy, an urge to develop a stable, high performance solar cell has initiated various scientific intentions to attain a cheaper and clean energy supply. In this work, a hole transport free (HTL-free) perovskite solar cell (PSC) with an architecture: FTO/ZnO-g-C<sub>3</sub>N<sub>4</sub>/CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>/carbon was examined. The simulated device was validated with the already fabricated device in the literature. The electron transport layer (ETL) was a blend with ZnO and graphitic carbon nitride, and named GT1, GT3 and GT5 materials in different ratios. The band gap values of the proposed ETL were 3.06, 3.06, 3.10, and 2.97 eV for pure ZnO, GT1, GT3 and GT5 respectively. Simulations were carried out with an aid of a solar cell capacitance simulator (SCAPS-ID) conducted at AM 1.5 G and 100 mW cm<sup>−2</sup>. The optimal density defect of the absorber was maintained at 1.0<!--> <!-->×<!--> <!-->10<sup>12</sup> cm<sup>−3</sup>, while the donor doping density of the ETL was achieved at 1.5<!--> <!-->×<!--> <!-->10<sup>22</sup> cm<sup>−3</sup> doping level. Utilization of palladium as the back contact led to achievement of a higher efficiency. The best device (with GT5 as ETL) achieved a decent power conversion efficiency of (PCE) of above 14%, a fill factor (FF) of 12.84%, a short circuit current density (J<sub>sc</sub>) of 18.24 mA cm<sup>−2</sup> and an open circuit voltage (V<sub>oc</sub>) of 6.04 V. The achieved PCE of above 14% was about 1.93% higher than the experimental value of PCE of 12.22%. Nonetheless, the proposed ETL materials were chosen by mimicking the actual experimental investigation with an aim of giving more insights theoretically. These results will help in further advancement and fabrication of the high performance HTL-free perovskite solar cells (PSCs) for anticipated commercialization.</div></div>","PeriodicalId":100957,"journal":{"name":"Next Energy","volume":"7 ","pages":"Article 100245"},"PeriodicalIF":0.0,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143092750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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