Md Hasib Al Mahbub, Fouzia Hasan Nowrin, Mohammad Saed, Mahdi Malmali
Membrane distillation (MD) has attracted significant research interest for desalinating hypersaline brine. However, the lack of robust hydrophobic membrane and lower energy efficiency requirements restrict its true potential. Designing and fabricating a hydrophobic membrane that enables surface heating at the mass transfer interface provides a potential route for efficient desalination with MD. This study aims to study a new class of surface-heated membranes that can be triggered by radiofrequency (RF) electromagnetic waves. We developed hydrophobic membranes that were prepared by CO2 laser ablation of polyethersulfone (PES) membrane substrate. Proposed single-step laser modification converts PES membrane surface to laser-induced graphene (LIG), which is hydrophobic and electroconductive, making it suitable for surface heating. The hydrophobic nature of the prepared PES-LIG membrane is confirmed from surface water contact angle (147.3°), and surface heating potential is studied by investigating the thermal response of the membrane exposed to RF fields. Membrane surface average temperature can reach up to ~140 °C with optimized RF frequency and power. The PES-LIG membrane's mechanical and thermal properties are characterized to investigate its feasibility for MD application. In this work, vacuum MD (VMD) is studied by integrating RF heating and permeate flux up to 13.5 Lm-2h-1 with >99% salt rejection is reported. Cyclic thermal and mechanical stability tests and long-term VMD tests show stable performance of the PES-LIG membranes. This work demonstrates a novel MD technique strategy that can potentially address challenges impeding its commercialization.
{"title":"Radiofrequency-Triggered Surface-Heated Laser-Induced Graphene Membranes for Enhanced Membrane Distillation","authors":"Md Hasib Al Mahbub, Fouzia Hasan Nowrin, Mohammad Saed, Mahdi Malmali","doi":"10.1039/d4ta05611f","DOIUrl":"https://doi.org/10.1039/d4ta05611f","url":null,"abstract":"Membrane distillation (MD) has attracted significant research interest for desalinating hypersaline brine. However, the lack of robust hydrophobic membrane and lower energy efficiency requirements restrict its true potential. Designing and fabricating a hydrophobic membrane that enables surface heating at the mass transfer interface provides a potential route for efficient desalination with MD. This study aims to study a new class of surface-heated membranes that can be triggered by radiofrequency (RF) electromagnetic waves. We developed hydrophobic membranes that were prepared by CO2 laser ablation of polyethersulfone (PES) membrane substrate. Proposed single-step laser modification converts PES membrane surface to laser-induced graphene (LIG), which is hydrophobic and electroconductive, making it suitable for surface heating. The hydrophobic nature of the prepared PES-LIG membrane is confirmed from surface water contact angle (147.3°), and surface heating potential is studied by investigating the thermal response of the membrane exposed to RF fields. Membrane surface average temperature can reach up to ~140 °C with optimized RF frequency and power. The PES-LIG membrane's mechanical and thermal properties are characterized to investigate its feasibility for MD application. In this work, vacuum MD (VMD) is studied by integrating RF heating and permeate flux up to 13.5 Lm-2h-1 with >99% salt rejection is reported. Cyclic thermal and mechanical stability tests and long-term VMD tests show stable performance of the PES-LIG membranes. This work demonstrates a novel MD technique strategy that can potentially address challenges impeding its commercialization.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"23 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Adsorption-based atmospheric water harvesting (SAWH) has become one of the effective methods to extract water from the air in arid regions due to its high efficiency and low energy consumption. Hygroscopic salts have high water absorption rates but their disadvantages such as easy leakage and slow kinetics limit their further application. Most of the reported aerogel porous materials loaded with hygroscopic salts can effectively solve the leakage problem, but the disordered pores limit the water vapour transport. It is therefore necessary to develop a simple method to further improve the adsorption kinetics and increase the rate of water vapour adsorption. In this paper, a low-cost, green, and high water absorption LCSC-MC aerogel adsorbent is reported. The composite adsorbent is based on biomass chitosan and photoresponsive material nanocarbon as the aerogel skeleton structure, and the introduction of lithium chloride enables it to obtain excellent water-absorption performance. In addition, inspired by the pump effect of wood in nature, we constructed a large number of vertical macroporous channel structures on the hygroscopic aerogel by a simple needle array template. Benefiting from the vertical macroporous channel structure, the diffusion resistance of water vapour in the aerogel is reduced, resulting in more efficient and faster water absorption. The water absorption rates of LCSC-MC after 12 h of moisture absorption at 20% RH and 90% RH are as high as 0.75 g g-1 and 3.85 g g-1, respectively. In addition, LCSC-MC has excellent air dehumidification performance, reducing humidity from 75% RH to less than 30% RH in 50 minutes, which is superior to commercial desiccants such as silica gel, calcium chloride and 4A molecular sieve. Meanwhile, our prepared LCSC-MC showed good cyclic stability in both long-term atmospheric water collection and air passive dehumidification practical applications. Moreover, we further improved the water adsorption efficiency of the aerogel adsorbent with a simple strategy, which is expected to be extended on other aerogel adsorbents.
{"title":"Vertical Macroporous Chitosan Aerogel Adsorbents for Simple and Efficient Enhancement of Atmospheric Water Harvesting and Air Dehumidification","authors":"Zhiguang Guo, Changhui Fu, Yuxuan He, Anhui Yu, Guangyi Tian, Danyan Zhan, Huimin Zhang","doi":"10.1039/d4ta07005d","DOIUrl":"https://doi.org/10.1039/d4ta07005d","url":null,"abstract":"Adsorption-based atmospheric water harvesting (SAWH) has become one of the effective methods to extract water from the air in arid regions due to its high efficiency and low energy consumption. Hygroscopic salts have high water absorption rates but their disadvantages such as easy leakage and slow kinetics limit their further application. Most of the reported aerogel porous materials loaded with hygroscopic salts can effectively solve the leakage problem, but the disordered pores limit the water vapour transport. It is therefore necessary to develop a simple method to further improve the adsorption kinetics and increase the rate of water vapour adsorption. In this paper, a low-cost, green, and high water absorption LCSC-MC aerogel adsorbent is reported. The composite adsorbent is based on biomass chitosan and photoresponsive material nanocarbon as the aerogel skeleton structure, and the introduction of lithium chloride enables it to obtain excellent water-absorption performance. In addition, inspired by the pump effect of wood in nature, we constructed a large number of vertical macroporous channel structures on the hygroscopic aerogel by a simple needle array template. Benefiting from the vertical macroporous channel structure, the diffusion resistance of water vapour in the aerogel is reduced, resulting in more efficient and faster water absorption. The water absorption rates of LCSC-MC after 12 h of moisture absorption at 20% RH and 90% RH are as high as 0.75 g g-1 and 3.85 g g-1, respectively. In addition, LCSC-MC has excellent air dehumidification performance, reducing humidity from 75% RH to less than 30% RH in 50 minutes, which is superior to commercial desiccants such as silica gel, calcium chloride and 4A molecular sieve. Meanwhile, our prepared LCSC-MC showed good cyclic stability in both long-term atmospheric water collection and air passive dehumidification practical applications. Moreover, we further improved the water adsorption efficiency of the aerogel adsorbent with a simple strategy, which is expected to be extended on other aerogel adsorbents.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"72 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pre-potassiation technologies with the functions of providing additional potassium sources and/or mitigating potassium loss during cycling, make them capable of enhancing the energy density and cycling life of potassium-ion capacitors (PICs) and potassium-ion batteries (PIBs). However, many reported pre-potassiation strategies involve using high chemical reactivity potassium sources such as metallic potassium or K-containing additives, thereby increasing cost and risk in production. Herein, we propose a novel potassium-ion compensation strategy to fulfil the demand for high-performance potassium-ion full cells without using any high chemical reactivity potassium sources. This strategy is based on the foundation of that the pre-lithiation carbon anode with the preformed solid-electrolyte-interphase (SEI) layer can effectively mitigate potassium loss and not hinder the K+ diffusion from electrolyte to electrode during cell operation. PICs based on pre-lithiation carbon anodes including soft carbon, hard carbon, and graphite, show better capacitive performance than which based on pre-potassiation carbon counterparts. This versatile strategy is also applicable for high-performance PIBs. We believe that this design principle of implanting the mature pre-lithiation technologies into potassium-ion energy storage systems possesses far-reaching potential of resolving the scientific bottleneck of the immature pre-potassium technologies.
{"title":"Pre-lithiation carbon anodes mitigating potassium loss toward for high-performance potassium-ion energy storage devices","authors":"Danni Du, Qingyuan Liu, Jing Gao, Yuying Qin, Xiaobo Jiang, Yuanchang Shi, Minghao Hua, Xiaohang Lin, Zhiwei Zhang, Chengxiang Wang, Long-Wei Yin, Rutao Wang","doi":"10.1039/d4ta06451h","DOIUrl":"https://doi.org/10.1039/d4ta06451h","url":null,"abstract":"Pre-potassiation technologies with the functions of providing additional potassium sources and/or mitigating potassium loss during cycling, make them capable of enhancing the energy density and cycling life of potassium-ion capacitors (PICs) and potassium-ion batteries (PIBs). However, many reported pre-potassiation strategies involve using high chemical reactivity potassium sources such as metallic potassium or K-containing additives, thereby increasing cost and risk in production. Herein, we propose a novel potassium-ion compensation strategy to fulfil the demand for high-performance potassium-ion full cells without using any high chemical reactivity potassium sources. This strategy is based on the foundation of that the pre-lithiation carbon anode with the preformed solid-electrolyte-interphase (SEI) layer can effectively mitigate potassium loss and not hinder the K+ diffusion from electrolyte to electrode during cell operation. PICs based on pre-lithiation carbon anodes including soft carbon, hard carbon, and graphite, show better capacitive performance than which based on pre-potassiation carbon counterparts. This versatile strategy is also applicable for high-performance PIBs. We believe that this design principle of implanting the mature pre-lithiation technologies into potassium-ion energy storage systems possesses far-reaching potential of resolving the scientific bottleneck of the immature pre-potassium technologies.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"32 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Developing efficient and cost-effective materials is crucial for advancing electrochemical oxygen reduction reaction (ORR). This study presents a synthesis route for high-performance spinel Fe and Co oxide nanoparticles on N-doped reduced graphene oxide (NRGO). This solvothermal synthesis in formamide yields well-dispersed, ultrafine FeCo(OH)x nanoparticles (∼5 nm) anchored on NRGO. These nanoparticles can be employed for the formation of spinel FexCo3-xO4 oxide nanoparticles, potentially because of their high surface area and intense interaction with the NRGO support. By introducing Co2+ ions into formamide, our method prevents rapid Fe2+ oxidation to Fe3+, promoting the formation of well-defined Fe3O4 nanoparticles, not Fe2O3. This, in turn, facilitates the successful decoration of highly dispersed spinel FexCo3-xO4 oxide nanoparticles (∼30 nm) onto the NRGO support, even after calcination at 900°C, which represents the critical temperature for conventional graphitization. This unique approach results in significantly reduced particle aggregation compared with that of conventional methods. The (Co)Fe3O4–NRGO nanocomposite exhibits remarkable ORR activity, achieving an electron number of ∼3.7 and a current density of 5.01 mA·cm−2 at E = 0.75 VRHE, comparable to those of commercial Pt/C catalysts. Furthermore, the catalyst exhibits remarkable stability, maintaining a reducing current density that is 42% lower after 40,000 s of uninterrupted operation at 0.75 VRHE compared with a 75% reduction observed with Pt/C. This exceptional performance is attributed to the strong interaction between the (Co)Fe3O4 nanoparticles and NRGO, facilitated by the Co ion precursor during annealing.
{"title":"Scalable Synthesis of N–Doped Graphene–Oxide–Supported FeCo(OH)x Nanosheets for Efficient Co–Doped Fe3O4 Nanoparticle-Based Oxygen Reduction Reaction Electrocatalysis","authors":"Sunglun Kwon, Jong Hyeon Lee","doi":"10.1039/d4ta06684g","DOIUrl":"https://doi.org/10.1039/d4ta06684g","url":null,"abstract":"Developing efficient and cost-effective materials is crucial for advancing electrochemical oxygen reduction reaction (ORR). This study presents a synthesis route for high-performance spinel Fe and Co oxide nanoparticles on N-doped reduced graphene oxide (NRGO). This solvothermal synthesis in formamide yields well-dispersed, ultrafine FeCo(OH)x nanoparticles (∼5 nm) anchored on NRGO. These nanoparticles can be employed for the formation of spinel FexCo3-xO4 oxide nanoparticles, potentially because of their high surface area and intense interaction with the NRGO support. By introducing Co2+ ions into formamide, our method prevents rapid Fe2+ oxidation to Fe3+, promoting the formation of well-defined Fe3O4 nanoparticles, not Fe2O3. This, in turn, facilitates the successful decoration of highly dispersed spinel FexCo3-xO4 oxide nanoparticles (∼30 nm) onto the NRGO support, even after calcination at 900°C, which represents the critical temperature for conventional graphitization. This unique approach results in significantly reduced particle aggregation compared with that of conventional methods. The (Co)Fe3O4–NRGO nanocomposite exhibits remarkable ORR activity, achieving an electron number of ∼3.7 and a current density of 5.01 mA·cm−2 at E = 0.75 VRHE, comparable to those of commercial Pt/C catalysts. Furthermore, the catalyst exhibits remarkable stability, maintaining a reducing current density that is 42% lower after 40,000 s of uninterrupted operation at 0.75 VRHE compared with a 75% reduction observed with Pt/C. This exceptional performance is attributed to the strong interaction between the (Co)Fe3O4 nanoparticles and NRGO, facilitated by the Co ion precursor during annealing.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"15 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600080","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Copper-based sulfide photocathodes have shown impressive performance in solar water splitting applications due to their narrow bandgaps, high absorption coefficients, and good carrier transport properties. Several factors, such as composition, thickness, and doping, have a direct influence on the onset potential, photocurrent density, and solar-to-hydrogen efficiency. Screening for the optimal combination in the presence of multiple variables is undoubtedly a challenging task. However, constructing a comprehensive database, developing photocathode models, and utilizing machine learning to derive the best results clearly save a significant amount of experimental effort. This approach efficiently reduces the experimental workload, streamlines the process, and expedites the development of high-performance materials for photoelectrochemical water splitting applications. Here, we introduce a comprehensive machine learning process to guide the preparation of copper-based sulfide photocathodes. The random forest model was selected to train and capture the complex relationship between different layers of copper-based sulfide photocathodes and electrolytes to predict unstudied conditions, and the accuracy of the test set reached 96.7%. Through SHAP interpretability analysis, we provide heuristic rules to deepen the understanding of the influence of different factors on the performance of the catalytic system. We also developed a prediction platform to share our prediction models.
{"title":"Machine learning aided design of high performance copper-based sulfide photocathodes","authors":"Yuxi Cao, Kaijie Shen, Yuanfei Li, Fumei Lan, Zeyu Guo, Kelu Zhang, Kang Wang, Feng Jiang","doi":"10.1039/d4ta06128d","DOIUrl":"https://doi.org/10.1039/d4ta06128d","url":null,"abstract":"Copper-based sulfide photocathodes have shown impressive performance in solar water splitting applications due to their narrow bandgaps, high absorption coefficients, and good carrier transport properties. Several factors, such as composition, thickness, and doping, have a direct influence on the onset potential, photocurrent density, and solar-to-hydrogen efficiency. Screening for the optimal combination in the presence of multiple variables is undoubtedly a challenging task. However, constructing a comprehensive database, developing photocathode models, and utilizing machine learning to derive the best results clearly save a significant amount of experimental effort. This approach efficiently reduces the experimental workload, streamlines the process, and expedites the development of high-performance materials for photoelectrochemical water splitting applications. Here, we introduce a comprehensive machine learning process to guide the preparation of copper-based sulfide photocathodes. The random forest model was selected to train and capture the complex relationship between different layers of copper-based sulfide photocathodes and electrolytes to predict unstudied conditions, and the accuracy of the test set reached 96.7%. Through SHAP interpretability analysis, we provide heuristic rules to deepen the understanding of the influence of different factors on the performance of the catalytic system. We also developed a prediction platform to share our prediction models.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"15 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yijun Hao, Jia Yang, Xiaopeng Zhu, Keke Hong, Jiayu Su, Yong Qin, Wei Su, Hongke Zhang, Chuguo Zhang, Xiuhan Li
Triboelectric nanogenerator (TENG) has acted as a promising method for capturing mechanical energy. However, traditional polymer triboelectric materials result burden to environment, the natural/biodegradable tribo-materials have the disadvantages of poor output performance. For this purpose, we proposed a polyethylene oxide (PEO) /cysteine composite nanofiber film (PCF) which prepared from biodegradable polymer PEO and natural cysteine. Thanks to the superior tribo-positive properties of PEO and cysteine, the electrical performance of PCF-based TENG (PC-TENG) with 4 wt% cysteine is several times than that of pure PEO nanofiber film. In addition, PC-TENG obtain better power density (6.6 W/m2), which is 3-110 times more than that of studies using related eco-friendly materials as tribo-layer. Importantly, we designed multi-layer funnel-shaped TENG (MF-TENG) which constructed by 4 layers of PC-TENG, which can effectively harvest a variety of tiny mechanical energy to built self-powered electronics devices by integrating the power management circuit. This research offers an efficient approach for the practical application of natural and environmental-friendly material-based TENGs in energy harvesting and power supply in Internet of Things.
{"title":"PEO/cysteine composite nanofiber-based triboelectric nanogenerator for tiny mechanical energy harvesting","authors":"Yijun Hao, Jia Yang, Xiaopeng Zhu, Keke Hong, Jiayu Su, Yong Qin, Wei Su, Hongke Zhang, Chuguo Zhang, Xiuhan Li","doi":"10.1039/d4ta06845a","DOIUrl":"https://doi.org/10.1039/d4ta06845a","url":null,"abstract":"Triboelectric nanogenerator (TENG) has acted as a promising method for capturing mechanical energy. However, traditional polymer triboelectric materials result burden to environment, the natural/biodegradable tribo-materials have the disadvantages of poor output performance. For this purpose, we proposed a polyethylene oxide (PEO) /cysteine composite nanofiber film (PCF) which prepared from biodegradable polymer PEO and natural cysteine. Thanks to the superior tribo-positive properties of PEO and cysteine, the electrical performance of PCF-based TENG (PC-TENG) with 4 wt% cysteine is several times than that of pure PEO nanofiber film. In addition, PC-TENG obtain better power density (6.6 W/m2), which is 3-110 times more than that of studies using related eco-friendly materials as tribo-layer. Importantly, we designed multi-layer funnel-shaped TENG (MF-TENG) which constructed by 4 layers of PC-TENG, which can effectively harvest a variety of tiny mechanical energy to built self-powered electronics devices by integrating the power management circuit. This research offers an efficient approach for the practical application of natural and environmental-friendly material-based TENGs in energy harvesting and power supply in Internet of Things.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"34 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600081","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Elena R. Remesal, Victor Posligua, Miguel Mahillo-Paniagua, Konstantin Glazyrin, Javier Fernández Sanz, Antonio Márquez, Jose Javier Plata Ramos
Materials discovery extends beyond the synthesis of new compounds. Detailed characterization is essential to understand the potential applications of novel materials. However, experimental characterization can be challenging due to the vast chemical and physical spaces, as well as the specific conditions required for certain techniques. Computational high-throughput methods can overcome these challenges. In this work, the transport and thermoelectric properties of the recently synthesized BiN are explored, including the effects of temperature, pressure, carrier concentration, polymorphism and polycrystalline grain size. We find that the band structure is strongly dependent on pressure and the polymorph studied. Both polymorphs exhibit low thermal conductivity at 0 GPa, which rapidly increases when pressure is applied. Electronic transport properties can be finely tuned based on the effects of pressure and polymorph type on the band gap, carrier mobilities, and presence of secondary pockets. The thermoelectric figure of merit can reach values around 0.85 for both p- and n-type BiN if the power factor and lattice thermal conductivity are optimized at 600 K, making this material competitive with other well-known thermoelectric families, such as Bi2Te3 or PbX, in the low-to-medium temperature range.
材料发现不仅仅局限于新化合物的合成。详细的表征对于了解新型材料的潜在应用至关重要。然而，由于化学和物理空间巨大，以及某些技术需要特定的条件，实验表征可能具有挑战性。高通量计算方法可以克服这些挑战。在这项工作中，我们探索了最近合成的 BiN 的传输和热电特性，包括温度、压力、载流子浓度、多态性和多晶晶粒尺寸的影响。我们发现，带状结构与压力和所研究的多晶体密切相关。两种多晶体在 0 GPa 时都表现出较低的热导率，而当施加压力时，热导率会迅速增加。根据压力和多晶体类型对带隙、载流子迁移率和次级口袋存在的影响，可以对电子传输特性进行微调。如果在 600 K 时对功率因数和晶格热传导率进行优化，p 型和 n 型 BiN 的热电功勋值均可达到 0.85 左右，从而使这种材料在中低温范围内具有与 Bi2Te3 或 PbX 等其他著名热电系列材料的竞争力。
{"title":"Enhancing the Thermoelectric Figure of Merit of BiN via Polymorphism, Pressure, and Nanostructuring","authors":"Elena R. Remesal, Victor Posligua, Miguel Mahillo-Paniagua, Konstantin Glazyrin, Javier Fernández Sanz, Antonio Márquez, Jose Javier Plata Ramos","doi":"10.1039/d4ta05891g","DOIUrl":"https://doi.org/10.1039/d4ta05891g","url":null,"abstract":"Materials discovery extends beyond the synthesis of new compounds. Detailed characterization is essential to understand the potential applications of novel materials. However, experimental characterization can be challenging due to the vast chemical and physical spaces, as well as the specific conditions required for certain techniques. Computational high-throughput methods can overcome these challenges. In this work, the transport and thermoelectric properties of the recently synthesized BiN are explored, including the effects of temperature, pressure, carrier concentration, polymorphism and polycrystalline grain size. We find that the band structure is strongly dependent on pressure and the polymorph studied. Both polymorphs exhibit low thermal conductivity at 0 GPa, which rapidly increases when pressure is applied. Electronic transport properties can be finely tuned based on the effects of pressure and polymorph type on the band gap, carrier mobilities, and presence of secondary pockets. The thermoelectric figure of merit can reach values around 0.85 for both p- and n-type BiN if the power factor and lattice thermal conductivity are optimized at 600 K, making this material competitive with other well-known thermoelectric families, such as Bi<small><sub>2</sub></small>Te<small><sub>3</sub></small> or PbX, in the low-to-medium temperature range.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"95 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Karuppasamy, Ganesh Kumar Veerasubramani, Vishwanath Hiremath, Dhanasekaran Vikraman, Palanisamy Santhoshkumar, Georgios N. Karanikolos, Ali Abdulkareem Alhammadi, Hyun-Seok Kim, Akram Alfantazi
The performance of electrochemical energy storage (EES) devices is determined by the inherent characteristics of electrode materials such as anodes and cathodes. 2D materials are increasingly being studied for their unique structural and electrochemical properties. Various materials, including transition metal oxides, metal sulfides, phosphides, and metal-organic framework (MOF) compounds, have been explored as potential anodes for sodium storage. However, challenges include significant volume and conductivity changes, cyclability, low capacity, and hindered overall rate performance in sodium-ion batteries (SIBs). Employing 2D-layered transition metal carbides and nitrides (MXenes) and their functionalized/surface-modified composites provides a promising strategy for minimizing volume expansion during charge-discharge, mass-transport properties, and enhancing conductivity, thereby improving the specific capacity, rate capability, and cycling stability of SIBs. This review examines the ability of two specific MXene compounds, namely niobium carbide (Nb-C) and vanadium carbide (VC), to be advanced electrode materials for enhancing the performance of SIBs. Furthermore, it comprehensively analyses recent developments in SIB anodes based on Nb-C and VC hybrid materials, shedding light on their electrochemical and structural properties. Last, the crucial challenges of Nb-C and VC electrodes employed in SIBs are explained, and future insights into the SIB application of these electrodes are elaborated.
{"title":"Unlocking recent progress in niobium and vanadium carbide-based MXenes for sodium-ion batteries","authors":"K. Karuppasamy, Ganesh Kumar Veerasubramani, Vishwanath Hiremath, Dhanasekaran Vikraman, Palanisamy Santhoshkumar, Georgios N. Karanikolos, Ali Abdulkareem Alhammadi, Hyun-Seok Kim, Akram Alfantazi","doi":"10.1039/d4ta05669h","DOIUrl":"https://doi.org/10.1039/d4ta05669h","url":null,"abstract":"The performance of electrochemical energy storage (EES) devices is determined by the inherent characteristics of electrode materials such as anodes and cathodes. 2D materials are increasingly being studied for their unique structural and electrochemical properties. Various materials, including transition metal oxides, metal sulfides, phosphides, and metal-organic framework (MOF) compounds, have been explored as potential anodes for sodium storage. However, challenges include significant volume and conductivity changes, cyclability, low capacity, and hindered overall rate performance in sodium-ion batteries (SIBs). Employing 2D-layered transition metal carbides and nitrides (MXenes) and their functionalized/surface-modified composites provides a promising strategy for minimizing volume expansion during charge-discharge, mass-transport properties, and enhancing conductivity, thereby improving the specific capacity, rate capability, and cycling stability of SIBs. This review examines the ability of two specific MXene compounds, namely niobium carbide (Nb-C) and vanadium carbide (VC), to be advanced electrode materials for enhancing the performance of SIBs. Furthermore, it comprehensively analyses recent developments in SIB anodes based on Nb-C and VC hybrid materials, shedding light on their electrochemical and structural properties. Last, the crucial challenges of Nb-C and VC electrodes employed in SIBs are explained, and future insights into the SIB application of these electrodes are elaborated.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"127 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
With the growing attention brought by wearable electronic devices, flexible sensors, as a fundamental component, are emerging as the focal point. However, achieving long-term stability and precise sensing underwater remain two significant challenges that urgently need to be addressed for sensors. In this study, we designed a hydrophobic ionogel (MCS) with good stretchability (720%), excellent wet adhesion, prolonged stability and anti-swelling capability. These remarkable advantages make ionogels stand out as strain sensors. The ionogels exhibit extraordinary signal sensing abilities. In specific, they can capture subtle physiological activities of the human body with precision and sensitivity both in air or underwater. Besides, the satisfactory thermosensitivity (-2.02%/ºC), high resolution (0.1 ºC) and fast response (14 s) ensure that the ionogel becomes a qualified temperature sensor. By integrating with a wireless Bluetooth transmission system, the real-time body temperature can be monitored by a smart cellphone. This work demonstrates great potential of MCS ionogel in marine exploitation and wearable health monitoring.
{"title":"A robust and adhesive anti-swelling hydrophobic ionogel with prolonged stability for strain and temperature sensors","authors":"Yu Zhang, Yuanna Sun, Jiahang Yang, Ruobing Tian, Jiahao Liu, Xueming Tang, junbo wang, Qingshan Li","doi":"10.1039/d4ta06181k","DOIUrl":"https://doi.org/10.1039/d4ta06181k","url":null,"abstract":"With the growing attention brought by wearable electronic devices, flexible sensors, as a fundamental component, are emerging as the focal point. However, achieving long-term stability and precise sensing underwater remain two significant challenges that urgently need to be addressed for sensors. In this study, we designed a hydrophobic ionogel (MCS) with good stretchability (720%), excellent wet adhesion, prolonged stability and anti-swelling capability. These remarkable advantages make ionogels stand out as strain sensors. The ionogels exhibit extraordinary signal sensing abilities. In specific, they can capture subtle physiological activities of the human body with precision and sensitivity both in air or underwater. Besides, the satisfactory thermosensitivity (-2.02%/ºC), high resolution (0.1 ºC) and fast response (14 s) ensure that the ionogel becomes a qualified temperature sensor. By integrating with a wireless Bluetooth transmission system, the real-time body temperature can be monitored by a smart cellphone. This work demonstrates great potential of MCS ionogel in marine exploitation and wearable health monitoring.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"153 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We perform static and dynamic ab initio simulations to investigate the structural and the thermodynamic properties of Li6PS5Cl, a solid electrolyte actively considered for solid-state batteries. Our simulations account for the disorder in the structure where the Li atoms can rotate either around sulfur or chlorine atoms. Li6PS5Cl presents a non-uniform distribution of Li ions around S and Cl atoms, which tends to become more homogeneous at higher temperature. This specific short-range order of Li has a significant impact on the stability of Li6PS5Cl. Comparing with recent X-Ray and neutron diffraction studies, we confirm one Li crystallographic site position (Li1) and amend the coordinates of a second one (Li2). We then address the calculation of the heat capacity Cp with a combination of ab initio trajectories and a so-called temperature remapping approximation. Indeed, the standard quasi-harmonic approximation is not able to capture the complex energy landscape experienced by the mobile lithium atoms. To the best of our knowledge, there exists no experimental or theoretical Cp value for Li6PS5Cl in the literature, despite the importance of this thermodynamic quantity. Finally we use this more reliable Cp to investigate the thermodynamic stability of Li6PS5Cl against the decomposition reaction leading to Li2S, Li3PS4 and LiCl. We show that Li6PS5Cl is stable above 700 K, which is consistent with the high synthesis temperatures.
我们进行了静态和动态 ab initio 模拟，以研究 Li6PS5Cl 的结构和热力学性质，这是一种被积极考虑用于固态电池的固体电解质。我们的模拟考虑到了锂原子可围绕硫原子或氯原子旋转的无序结构。Li6PS5Cl 在 S 原子和 Cl 原子周围呈现出不均匀的锂离子分布，温度越高，这种分布越均匀。锂的这种特定短程顺序对 Li6PS5Cl 的稳定性有重要影响。与最近的 X 射线和中子衍射研究相比较，我们确认了一个锂晶体学位点（Li1）的位置，并修正了第二个位点（Li2）的坐标。然后，我们结合 ab initio 轨迹和所谓的温度重映射近似计算热容 Cp。事实上，标准准谐波近似无法捕捉移动锂原子所经历的复杂能量景观。据我们所知，文献中没有关于 Li6PS5Cl 的实验或理论 Cp 值，尽管这个热力学量非常重要。最后，我们利用这个更可靠的 Cp 值来研究 Li6PS5Cl 在发生导致 Li2S、Li3PS4 和 LiCl 的分解反应时的热力学稳定性。我们发现 Li6PS5Cl 在 700 K 以上是稳定的，这与较高的合成温度是一致的。
{"title":"Structural and thermodynamic properties of the Li6PS5Cl solid electrolyte using first-principles calculations","authors":"Tarek Ayadi, Maylise Nastar, Fabien Bruneval","doi":"10.1039/d4ta05159a","DOIUrl":"https://doi.org/10.1039/d4ta05159a","url":null,"abstract":"We perform static and dynamic ab initio simulations to investigate the structural and the thermodynamic properties of Li6PS5Cl, a solid electrolyte actively considered for solid-state batteries. Our simulations account for the disorder in the structure where the Li atoms can rotate either around sulfur or chlorine atoms. Li6PS5Cl presents a non-uniform distribution of Li ions around S and Cl atoms, which tends to become more homogeneous at higher temperature. This specific short-range order of Li has a significant impact on the stability of Li6PS5Cl. Comparing with recent X-Ray and neutron diffraction studies, we confirm one Li crystallographic site position (Li1) and amend the coordinates of a second one (Li2). We then address the calculation of the heat capacity Cp with a combination of ab initio trajectories and a so-called temperature remapping approximation. Indeed, the standard quasi-harmonic approximation is not able to capture the complex energy landscape experienced by the mobile lithium atoms. To the best of our knowledge, there exists no experimental or theoretical Cp value for Li6PS5Cl in the literature, despite the importance of this thermodynamic quantity. Finally we use this more reliable Cp to investigate the thermodynamic stability of Li6PS5Cl against the decomposition reaction leading to Li2S, Li3PS4 and LiCl. We show that Li6PS5Cl is stable above 700 K, which is consistent with the high synthesis temperatures.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"38 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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