Pub Date : 2024-02-13DOI: 10.1088/2515-7655/ad249a
Katherine A Acord, Alexander D Dupuy, Qian Nataly Chen, Julie M Schoenung
Additive manufacturing of solid-state batteries is advantageous for improving the power density by increasing the geometric complexity of battery components, such as electrodes and electrolytes. In the present study, bulk three-dimensional Li1+xAlxTi2−x(PO4)3 (LATP) electrolyte samples were prepared using the laser powder bed fusion (L-PBF) additive manufacturing method. Li3PO4 (LPO) was added to LATP to compensate for lithium vaporization during processing. Chemical compositions included 0, 1, 3, and 5 wt. % LPO. Resulting ionic conductivity values ranged from 1.4 × 10−6–6.4 × 10−8 S cm−1, with the highest value for the sample with a chemical composition of 3 wt. % LPO. Microstructural features were carefully measured for each chemical composition and correlated with each other and with ionic conductivity. These features and their corresponding ranges include: porosity (ranging from 5% to 19%), crack density (0.09–0.15 mm mm−2), concentration of residual LPO (0%–16%), and concentration and Feret diameter of secondary phases, AlPO4 (11%–18%, 0.40–0.61 µm) and TiO2 (9%–11%, 0.50–0.78). Correlations between the microstructural features and ionic conductivity ranged from −0.88 to 0.99. The strongest negative correlation was between crack density and ionic conductivity (−0.88), confirming the important role that processing defects play in limiting the performance of bulk solid-state electrolytes. The strongest positive correlation was between the concentration of AlPO4 and ionic conductivity (0.99), which is attributed to AlPO4 acting as a sintering aid and the role it plays in reducing the crack density. Our results indicate that additions of LPO can be used to balance competing microstructural features to design bulk three-dimensional LATP samples with improved ionic conductivity. As such, refinement of the chemical composition offers a promising approach to improving the processability and performance of functional ceramics prepared using binderless, laser-based additive manufacturing for solid-state battery applications.
{"title":"Manipulating ionic conductivity through chemical modifications in solid-state electrolytes prepared with binderless laser powder bed fusion processing","authors":"Katherine A Acord, Alexander D Dupuy, Qian Nataly Chen, Julie M Schoenung","doi":"10.1088/2515-7655/ad249a","DOIUrl":"https://doi.org/10.1088/2515-7655/ad249a","url":null,"abstract":"Additive manufacturing of solid-state batteries is advantageous for improving the power density by increasing the geometric complexity of battery components, such as electrodes and electrolytes. In the present study, bulk three-dimensional Li<sub>1+<italic toggle=\"yes\">x</italic>\u0000</sub>Al<italic toggle=\"yes\">\u0000<sub>x</sub>\u0000</italic>Ti<sub>2−<italic toggle=\"yes\">x</italic>\u0000</sub>(PO<sub>4</sub>)<sub>3</sub> (LATP) electrolyte samples were prepared using the laser powder bed fusion (L-PBF) additive manufacturing method. Li<sub>3</sub>PO<sub>4</sub> (LPO) was added to LATP to compensate for lithium vaporization during processing. Chemical compositions included 0, 1, 3, and 5 wt. % LPO. Resulting ionic conductivity values ranged from 1.4 × 10<sup>−6</sup>–6.4 × 10<sup>−8</sup> S cm<sup>−1</sup>, with the highest value for the sample with a chemical composition of 3 wt. % LPO. Microstructural features were carefully measured for each chemical composition and correlated with each other and with ionic conductivity. These features and their corresponding ranges include: porosity (ranging from 5% to 19%), crack density (0.09–0.15 mm mm<sup>−2</sup>), concentration of residual LPO (0%–16%), and concentration and Feret diameter of secondary phases, AlPO4 (11%–18%, 0.40–0.61 <italic toggle=\"yes\">µ</italic>m) and TiO2 (9%–11%, 0.50–0.78). Correlations between the microstructural features and ionic conductivity ranged from −0.88 to 0.99. The strongest negative correlation was between crack density and ionic conductivity (−0.88), confirming the important role that processing defects play in limiting the performance of bulk solid-state electrolytes. The strongest positive correlation was between the concentration of AlPO4 and ionic conductivity (0.99), which is attributed to AlPO4 acting as a sintering aid and the role it plays in reducing the crack density. Our results indicate that additions of LPO can be used to balance competing microstructural features to design bulk three-dimensional LATP samples with improved ionic conductivity. As such, refinement of the chemical composition offers a promising approach to improving the processability and performance of functional ceramics prepared using binderless, laser-based additive manufacturing for solid-state battery applications.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"48 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140006447","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}
Pub Date : 2024-02-12DOI: 10.1088/2515-7655/ad2452
A Palliotto, Y Wu, A D Rata, A Herklotz, S Zhou, K Dörr, P Muralt, D-S Park
Engineering materials with highly tunable physical properties in response to external stimuli is a cornerstone strategy for advancing energy technology. Among various approaches, engineering ionic defects and understanding their roles are essential in tailoring emergent material properties and functionalities. Here, we demonstrate an effective approach for creating and controlling ionic defects (oxygen vacancies) in epitaxial Gd-doped CeO2−x (CGO)(001) films grown on Nb:SrTiO3(001) single crystal. Our results exhibit a significant limitation in the formation of excess oxygen vacancies in the films during high-temperature film growth. However, we have discovered that managing the oxygen vacancies in the epitaxial CGO(001) films is feasible using a two-step film growth process. Subsequently, our findings show that manipulating excess oxygen vacancies is a key to the emergence of giant apparent dielectric permittivity (e.g. ε′≈ 106) in the epitaxial films under electrical field control. Overall, the strategy of tuning functional ionic defects in CGO and similar oxides is beneficial for various applications such as electromechanical, sensing, and energy storage applications.
{"title":"Tailoring dielectric permittivity of epitaxial Gd-doped CeO2−x films by ionic defects","authors":"A Palliotto, Y Wu, A D Rata, A Herklotz, S Zhou, K Dörr, P Muralt, D-S Park","doi":"10.1088/2515-7655/ad2452","DOIUrl":"https://doi.org/10.1088/2515-7655/ad2452","url":null,"abstract":"Engineering materials with highly tunable physical properties in response to external stimuli is a cornerstone strategy for advancing energy technology. Among various approaches, engineering ionic defects and understanding their roles are essential in tailoring emergent material properties and functionalities. Here, we demonstrate an effective approach for creating and controlling ionic defects (oxygen vacancies) in epitaxial Gd-doped CeO<sub>2−<italic toggle=\"yes\">x</italic>\u0000</sub> (CGO)(001) films grown on Nb:SrTiO<sub>3</sub>(001) single crystal. Our results exhibit a significant limitation in the formation of excess oxygen vacancies in the films during high-temperature film growth. However, we have discovered that managing the oxygen vacancies in the epitaxial CGO(001) films is feasible using a two-step film growth process. Subsequently, our findings show that manipulating excess oxygen vacancies is a key to the emergence of giant apparent dielectric permittivity (e.g. <inline-formula>\u0000<tex-math><?CDATA $varepsilon ^{prime}$?></tex-math>\u0000<mml:math overflow=\"scroll\"><mml:msup><mml:mi>ε</mml:mi><mml:mi mathvariant=\"normal\">′</mml:mi></mml:msup></mml:math>\u0000<inline-graphic xlink:href=\"jpenergyad2452ieqn1.gif\" xlink:type=\"simple\"></inline-graphic>\u0000</inline-formula>\u0000<inline-formula>\u0000<tex-math><?CDATA $ approx $?></tex-math>\u0000<mml:math overflow=\"scroll\"><mml:mo>≈</mml:mo></mml:math>\u0000<inline-graphic xlink:href=\"jpenergyad2452ieqn2.gif\" xlink:type=\"simple\"></inline-graphic>\u0000</inline-formula> 10<sup>6</sup>) in the epitaxial films under electrical field control. Overall, the strategy of tuning functional ionic defects in CGO and similar oxides is beneficial for various applications such as electromechanical, sensing, and energy storage applications.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"38 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2024-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139756259","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}
Pub Date : 2024-02-09DOI: 10.1088/2515-7655/ad2374
Luca Bertoni, Simon Roussanaly, Luca Riboldi, Rahul Anantharaman, Matteo Gazzani
Direct air capture (DAC) is a key component in the transition to net-zero society. However, its giga-tonne deployment faces daunting challenges in terms of availability of both financial resources and, most of all, large quantities of low-carbon energy. Within this context, small modular nuclear reactors (SMRs) might potentially facilitate the deployment of DAC. In the present study, we present a detailed thermodynamic analysis of integrating an SMR with solid sorbent DAC. We propose different integration designs and find that coupling the SMR with DAC significantly increases the use of thermal energy produced in the nuclear reactor: from 32% in a stand-alone SMR to 76%–85% in the SMR-DAC system. Moreover, we find that a 50–MW SMR module equipped with DAC could remove around 0.3 MtCO2 every year, while still producing electricity at 24%–42% of the rated power output. Performing a techno-economic analysis of the system, we estimate a net removal cost of around 250 €/tCO2. When benchmarking it to other low-carbon energy supply solutions, we find that the SMR-DAC system is potentially more cost-effective than a DAC powered by high-temperature heat pumps or dedicated geothermal systems. Finally, we evaluate the potential of future deployment of SMR-DAC in China, Europe, India, South Africa and the USA, finding that it could enable up to around 96 MtCO2/year by 2035 if SMRs prove to be cost-competitive. The impact of regional differences on the removal cost is also assessed.
{"title":"Integrating direct air capture with small modular nuclear reactors: understanding performance, cost, and potential","authors":"Luca Bertoni, Simon Roussanaly, Luca Riboldi, Rahul Anantharaman, Matteo Gazzani","doi":"10.1088/2515-7655/ad2374","DOIUrl":"https://doi.org/10.1088/2515-7655/ad2374","url":null,"abstract":"Direct air capture (DAC) is a key component in the transition to net-zero society. However, its giga-tonne deployment faces daunting challenges in terms of availability of both financial resources and, most of all, large quantities of low-carbon energy. Within this context, small modular nuclear reactors (SMRs) might potentially facilitate the deployment of DAC. In the present study, we present a detailed thermodynamic analysis of integrating an SMR with solid sorbent DAC. We propose different integration designs and find that coupling the SMR with DAC significantly increases the use of thermal energy produced in the nuclear reactor: from 32% in a stand-alone SMR to 76%–85% in the SMR-DAC system. Moreover, we find that a 50–MW SMR module equipped with DAC could remove around 0.3 MtCO<sub>2</sub> every year, while still producing electricity at 24%–42% of the rated power output. Performing a techno-economic analysis of the system, we estimate a net removal cost of around 250 €/tCO<sub>2</sub>. When benchmarking it to other low-carbon energy supply solutions, we find that the SMR-DAC system is potentially more cost-effective than a DAC powered by high-temperature heat pumps or dedicated geothermal systems. Finally, we evaluate the potential of future deployment of SMR-DAC in China, Europe, India, South Africa and the USA, finding that it could enable up to around 96 MtCO<sub>2</sub>/year by 2035 if SMRs prove to be cost-competitive. The impact of regional differences on the removal cost is also assessed.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"137 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2024-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139762785","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}
Pub Date : 2023-12-27DOI: 10.1088/2515-7655/ad139d
Douglas Heine, Hui-Chia Yu, Volker Blum
Hybrid organic–inorganic perovskites (HOIPs) such as methylammonium lead iodide (MAPbI3) are promising candidates for use in photovoltaic cells and other semiconductor applications, but their limited chemical stability poses obstacles to their widespread use. Ab initio modeling of finite-temperature and pressure thermodynamic equilibria of HOIPs with their decomposition products can reveal stability limits and help develop mitigation strategies. We here use a previously published experimental temperature-pressure equilibrium to benchmark and demonstrate the applicability of the harmonic and quasiharmonic approximations, combined with a simple entropy correction for the configurational freedom of methylammonium cations in solid MAPbI3 and for several density functional approximations, to the thermodynamics of MAPbI3 decomposition. We find that these approximations, together with the dispersion-corrected hybrid density functional HSE06, yield remarkably good agreement with the experimentally assessed equilibrium between T = 326 K and T = 407 K, providing a solid foundation for future broad thermodynamic assessments of HOIP stability.
甲基碘化铅铵（MAPbI3）等有机-无机杂化过氧化物（HOIPs）是光伏电池和其他半导体应用的理想候选材料，但其有限的化学稳定性阻碍了它们的广泛应用。建立 HOIPs 及其分解产物的有限温度和压力热力学平衡的 Ab initio 模型可以揭示其稳定性极限，并有助于制定缓解策略。在此，我们利用之前公布的实验温度-压力平衡来确定谐波近似和准谐波近似的基准，并结合针对固体 MAPbI3 中甲基铵阳离子构型自由度的简单熵校正和几种密度泛函近似来证明谐波近似和准谐波近似对 MAPbI3 分解热力学的适用性。我们发现，这些近似值连同色散校正混合密度函数 HSE06，与实验评估的 T = 326 K 和 T = 407 K 之间的平衡非常吻合，为未来对 HOIP 稳定性进行广泛的热力学评估奠定了坚实的基础。
{"title":"Benchmark thermodynamic analysis of methylammonium lead iodide decomposition from first principles","authors":"Douglas Heine, Hui-Chia Yu, Volker Blum","doi":"10.1088/2515-7655/ad139d","DOIUrl":"https://doi.org/10.1088/2515-7655/ad139d","url":null,"abstract":"Hybrid organic–inorganic perovskites (HOIPs) such as methylammonium lead iodide (MAPbI<sub>3</sub>) are promising candidates for use in photovoltaic cells and other semiconductor applications, but their limited chemical stability poses obstacles to their widespread use. <italic toggle=\"yes\">Ab initio</italic> modeling of finite-temperature and pressure thermodynamic equilibria of HOIPs with their decomposition products can reveal stability limits and help develop mitigation strategies. We here use a previously published experimental temperature-pressure equilibrium to benchmark and demonstrate the applicability of the harmonic and quasiharmonic approximations, combined with a simple entropy correction for the configurational freedom of methylammonium cations in solid MAPbI<sub>3</sub> and for several density functional approximations, to the thermodynamics of MAPbI<sub>3</sub> decomposition. We find that these approximations, together with the dispersion-corrected hybrid density functional HSE06, yield remarkably good agreement with the experimentally assessed equilibrium between <italic toggle=\"yes\">T</italic> = 326 K and <italic toggle=\"yes\">T</italic> = 407 K, providing a solid foundation for future broad thermodynamic assessments of HOIP stability.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"11 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139053580","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}
The demand for continuous monitoring of ultraviolet (UV) radiation, which poses significant health risks, has grown significantly with the advent of the internet of things (IoT) for human health. The need for a self-powered system that does not rely on battery charging in environmental conditions has led to the exploration of triboelectric nanogenerators (TENGs) as a promising energy source for sensor systems. In this study, we present a fully printed UV photodetector (UV-PD) that is fabricated through scalable slot-die printing of either single-layer triple-cation mixed halide perovskite (TCMHP) or a heterojunction of TiO2/TCMHP on patterned fluorine-doped tin oxide (FTO). The integrated TENG generates the required energy from the tapping of Kapton to the FTO contact, making the device self-powered. Our self-powered PD exhibits an excellent responsivity and detectivity of 71.4 mA W−1 and 6.92 × 1010 Jones, respectively, under a 395 nm wavelength, significantly outperforming spin-coated TCMHP-based devices. We further optimized the performance of our integrated TENG-powered heterojunction TiO2/TCMHP UV-PD by fabricating sensors with groove spacings of 2, 3, 5, and 8 mm. The optimized device demonstrated an unprecedented responsivity, detectivity, and EQE% of 151.9 mA W−1, 1.29 × 1011 Jones, and 47.8%, respectively, under UV irradiation. Our work represents a significant step towards large-scale industrial flexible self-powered UV detection devices that can protect human health and safety. This study highlights the potential of scalable and cost-effective slot-die printing techniques for the industrial production of high-performance self-powered UV sensors, with significant implications for IoT-based health monitoring and environmental protection applications.
紫外线（UV）辐射会对人体健康造成严重危害，随着人类健康物联网（IoT）的出现，对紫外线（UV）辐射进行连续监测的需求大幅增长。由于需要一种在环境条件下不依赖电池充电的自供电系统，人们开始探索将三电纳米发电机（TENGs）作为传感器系统的一种有前途的能源。在这项研究中，我们介绍了一种完全印刷的紫外光探测器（UV-PD），它是通过在图案化的掺氟氧化锡（FTO）上印刷单层三阳离子混合卤化物包晶石（TCMHP）或 TiO2/TCMHP 异质结而制成的。集成的 TENG 可从 Kapton 与 FTO 接触点的接触中产生所需的能量，从而使器件实现自供电。我们的自供电 PD 在 395 nm 波长下表现出卓越的响应度和检测度，分别为 71.4 mA W-1 和 6.92 × 1010 Jones，大大优于基于旋涂 TCMHP 的器件。通过制造槽间距为 2、3、5 和 8 毫米的传感器，我们进一步优化了集成 TENG 动力异质结 TiO2/TCMHP UV-PD 的性能。优化后的器件在紫外线照射下显示出前所未有的响应度、检测度和 EQE%，分别为 151.9 mA W-1、1.29 × 1011 Jones 和 47.8%。我们的工作标志着向保护人类健康和安全的大规模工业灵活自供电紫外线检测设备迈出了重要一步。这项研究凸显了可扩展且经济高效的槽模印刷技术在工业化生产高性能自供电紫外线传感器方面的潜力，对基于物联网的健康监测和环境保护应用具有重要意义。
{"title":"Scalable and cost-effective fabrication of high-performance self-powered heterojunction UV-photodetectors using slot-die printing of triple-cation lead perovskite coupled with triboelectric nanogenerators","authors":"Sajjad Mahmoodpour, Leyla Shooshtari, Nassim Rafiefard, Raheleh Mohammadpour, Nima Taghavinia, Daryoosh Vashaee","doi":"10.1088/2515-7655/ad1117","DOIUrl":"https://doi.org/10.1088/2515-7655/ad1117","url":null,"abstract":"The demand for continuous monitoring of ultraviolet (UV) radiation, which poses significant health risks, has grown significantly with the advent of the internet of things (IoT) for human health. The need for a self-powered system that does not rely on battery charging in environmental conditions has led to the exploration of triboelectric nanogenerators (TENGs) as a promising energy source for sensor systems. In this study, we present a fully printed UV photodetector (UV-PD) that is fabricated through scalable slot-die printing of either single-layer triple-cation mixed halide perovskite (TCMHP) or a heterojunction of TiO<sub>2</sub>/TCMHP on patterned fluorine-doped tin oxide (FTO). The integrated TENG generates the required energy from the tapping of Kapton to the FTO contact, making the device self-powered. Our self-powered PD exhibits an excellent responsivity and detectivity of 71.4 mA W<sup>−1</sup> and 6.92 × 10<sup>10</sup> Jones, respectively, under a 395 nm wavelength, significantly outperforming spin-coated TCMHP-based devices. We further optimized the performance of our integrated TENG-powered heterojunction TiO2/TCMHP UV-PD by fabricating sensors with groove spacings of 2, 3, 5, and 8 mm. The optimized device demonstrated an unprecedented responsivity, detectivity, and EQE% of 151.9 mA W<sup>−1</sup>, 1.29 × 10<sup>11</sup> Jones, and 47.8%, respectively, under UV irradiation. Our work represents a significant step towards large-scale industrial flexible self-powered UV detection devices that can protect human health and safety. This study highlights the potential of scalable and cost-effective slot-die printing techniques for the industrial production of high-performance self-powered UV sensors, with significant implications for IoT-based health monitoring and environmental protection applications.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"10 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138689902","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}
Pub Date : 2023-12-01DOI: 10.1088/2515-7655/ad0ee6
Matthew J Palys, Prodromos Daoutidis
Urea is the most used nitrogen fertilizer due to its ease of storage, transportation, and application. It is made by combining ammonia and carbon dioxide (CO2), both of which are produced predominantly from fossil fuels at present. The recent momentum behind ammonia production using renewable-powered electrolysis offers an opportunity to both make urea in a more sustainable way and utilize CO2 from external sources. In this work, we present a techno-economic optimization model to minimize the cost of making urea in this way. The model allows for time-varying chemical production in response to renewable variability by simultaneously optimizing production facility design and hourly operation. We performed a case study for Minnesota considering the use of byproduct CO2 from bioethanol production. We found that the present-day levelized cost of renewable urea is between $268 mt−1 and $413 mt−1 at likely implementable production scales up to 250 000 mt yr−1. This is within the range of historical conventional urea prices while offering at least 78% carbon intensity reduction. Projecting to 2030, there is a clear economic case for renewable urea production with levelized cost as low as $135 mt−1 due to technology improvement and electrolysis manufacturing expansion, facilitating a urea production scale increase to 525 000 mt yr−1. Optimal facilities use wind energy, with hydrogen and ammonia production operating in a flexible, time-varying way to minimize battery and hydrogen storage capacities. Urea production operates near steady state due to the relatively low cost of intermediate ammonia buffer storage. A mix of imported methane and locally produced hydrogen are used to provide heat for steam consumed in the urea synthesis.
{"title":"Techno-economic optimization of renewable urea production for sustainable agriculture and CO2 utilization","authors":"Matthew J Palys, Prodromos Daoutidis","doi":"10.1088/2515-7655/ad0ee6","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0ee6","url":null,"abstract":"Urea is the most used nitrogen fertilizer due to its ease of storage, transportation, and application. It is made by combining ammonia and carbon dioxide (CO<sub>2</sub>), both of which are produced predominantly from fossil fuels at present. The recent momentum behind ammonia production using renewable-powered electrolysis offers an opportunity to both make urea in a more sustainable way and utilize CO<sub>2</sub> from external sources. In this work, we present a techno-economic optimization model to minimize the cost of making urea in this way. The model allows for time-varying chemical production in response to renewable variability by simultaneously optimizing production facility design and hourly operation. We performed a case study for Minnesota considering the use of byproduct CO<sub>2</sub> from bioethanol production. We found that the present-day levelized cost of renewable urea is between $268 mt<sup>−1</sup> and $413 mt<sup>−1</sup> at likely implementable production scales up to 250 000 mt yr<sup>−1</sup>. This is within the range of historical conventional urea prices while offering at least 78% carbon intensity reduction. Projecting to 2030, there is a clear economic case for renewable urea production with levelized cost as low as $135 mt<sup>−1</sup> due to technology improvement and electrolysis manufacturing expansion, facilitating a urea production scale increase to 525 000 mt yr<sup>−1</sup>. Optimal facilities use wind energy, with hydrogen and ammonia production operating in a flexible, time-varying way to minimize battery and hydrogen storage capacities. Urea production operates near steady state due to the relatively low cost of intermediate ammonia buffer storage. A mix of imported methane and locally produced hydrogen are used to provide heat for steam consumed in the urea synthesis.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"10 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138693119","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}
Pub Date : 2023-11-30DOI: 10.1088/2515-7655/ad0e29
Antonio Maria Asensio, Fiammetta Rita Bianchi, Davide Clematis, Barbara Bosio, Antonio Barbucci
The carbon-free energy transition requires the spread of advanced technologies based on high-performing materials. In this framework and particularly referring to electrochemical energy converting systems, double perovskites are arousing more and more interest as mixed ionic electronic conductors with flexible manufacturing, appropriate tailoring for many tasks and high chemical stability. Among their possible applications, they form excellent oxygen electrodes in solid oxide cell technology used as fuel cells, steam/CO2 electrolysis cells and electrochemical air separation units. In view of the encouraging results shown by SmBa1−xCaxCo2O5+δ co-doped double perovskite, this research work aims at a detailed analysis of SmBa0.8Ca0.2Co2O5+δ performance and the identification of kinetic paths for oxygen reduction and oxidation reactions. The electrochemical characterization was performed over a wide range of operation conditions to evaluate the electrode reversible behaviour and the interplay of the recognized phenomena governing the overall electrode kinetics.
{"title":"A kinetic study on oxygen redox reaction of a double-perovskite reversible oxygen electrode—Part I: Experimental analysis","authors":"Antonio Maria Asensio, Fiammetta Rita Bianchi, Davide Clematis, Barbara Bosio, Antonio Barbucci","doi":"10.1088/2515-7655/ad0e29","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0e29","url":null,"abstract":"The carbon-free energy transition requires the spread of advanced technologies based on high-performing materials. In this framework and particularly referring to electrochemical energy converting systems, double perovskites are arousing more and more interest as mixed ionic electronic conductors with flexible manufacturing, appropriate tailoring for many tasks and high chemical stability. Among their possible applications, they form excellent oxygen electrodes in solid oxide cell technology used as fuel cells, steam/CO<sub>2</sub> electrolysis cells and electrochemical air separation units. In view of the encouraging results shown by SmBa<sub>1−<italic toggle=\"yes\">x</italic>\u0000</sub>Ca<italic toggle=\"yes\">\u0000<sub>x</sub>\u0000</italic>Co<sub>2</sub>O<sub>5+<italic toggle=\"yes\">δ</italic>\u0000</sub> co-doped double perovskite, this research work aims at a detailed analysis of SmBa<sub>0.8</sub>Ca<sub>0.2</sub>Co<sub>2</sub>O<sub>5+<italic toggle=\"yes\">δ</italic>\u0000</sub> performance and the identification of kinetic paths for oxygen reduction and oxidation reactions. The electrochemical characterization was performed over a wide range of operation conditions to evaluate the electrode reversible behaviour and the interplay of the recognized phenomena governing the overall electrode kinetics.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"6 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138690086","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}
Rational design and construction of self-supporting anodes with high energy density is an essential part of research in the field of lithium-ion batteries. Tin oxide (SnO2) is restricted in application as a prospective high energy density anode due to inherent low conductivity and huge volume expansion of the charge/discharge process. A new strategy that combines high energy ball milling and nonsolvent induced phase separation (NIPS) method was employed to synthesize self-supporting electrodes in which porous SnO2 was encapsulated in a three-dimensional hierarchical porous copper (Cu) shell structure (3DHPSnO2@Cu). This unique structure was constructed due to the different binding energy of the alloy with oxygen, which are −0.91 eV for Cu41Sn11 and −1.17 eV for Cu5.6Sn according to the density functional theory calculation. 3DHPSnO2@Cu electrodes exhibited excellent discharge capacity with an initial reversible capacity of 4.35 mAh cm−2 and a reversible capacity of 3.13 mAh cm−2 after 300 cycles at a current density of 1.4 mA cm−2. It is attributed that the porous Cu shell encapsulated with porous SnO2 provides buffer volume. Among them, the SnO2-Cu-SnO2 interface increases the electrical conductivity and the porous structure provides ion transport channels. This strategy opens a new pathway in the development of self-supporting electrode materials with high energy density.
合理设计和制造具有高能量密度的自支撑阳极是锂离子电池领域研究的重要组成部分。由于氧化锡（SnO2）固有的低电导率和充放电过程中巨大的体积膨胀，其作为高能量密度阳极的应用受到了限制。我们采用了一种结合高能球磨和非溶剂诱导相分离（NIPS）方法的新策略来合成自支撑电极，其中多孔二氧化锡被封装在三维分层多孔铜（Cu）壳结构（3DHPSnO2@Cu）中。根据密度泛函理论计算，Cu41Sn11 和 Cu5.6Sn 的结合能分别为 -0.91 eV 和 -1.17 eV。3DHPSnO2@Cu 电极表现出优异的放电能力，在电流密度为 1.4 mA cm-2 的条件下，初始可逆容量为 4.35 mAh cm-2，循环 300 次后可逆容量为 3.13 mAh cm-2。这归因于多孔锡氧化物包裹的多孔铜壳提供了缓冲容积。其中，SnO2-Cu-SnO2 界面增加了导电性，多孔结构提供了离子传输通道。这一策略为开发具有高能量密度的自支撑电极材料开辟了一条新途径。
{"title":"Tailoring hierarchical porous core–shell SnO2@Cu upon Cu–Sn alloys through oxygen binding energy difference for high energy density lithium-ion storage","authors":"Huan Yang, Zhijia Zhang, Yuwen Zhao, Yuefang Chen, Qi Sun, Mengmeng Zhang, Yifang Zhang, Zhenyang Yu, Chunsheng Li, Yan Sun, Yong Jiang","doi":"10.1088/2515-7655/ad0dbd","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0dbd","url":null,"abstract":"Rational design and construction of self-supporting anodes with high energy density is an essential part of research in the field of lithium-ion batteries. Tin oxide (SnO<sub>2</sub>) is restricted in application as a prospective high energy density anode due to inherent low conductivity and huge volume expansion of the charge/discharge process. A new strategy that combines high energy ball milling and nonsolvent induced phase separation (NIPS) method was employed to synthesize self-supporting electrodes in which porous SnO<sub>2</sub> was encapsulated in a three-dimensional hierarchical porous copper (Cu) shell structure (3DHPSnO<sub>2</sub>@Cu). This unique structure was constructed due to the different binding energy of the alloy with oxygen, which are −0.91 eV for Cu<sub>41</sub>Sn<sub>11</sub> and −1.17 eV for Cu<sub>5.6</sub>Sn according to the density functional theory calculation. 3DHPSnO<sub>2</sub>@Cu electrodes exhibited excellent discharge capacity with an initial reversible capacity of 4.35 mAh cm<sup>−2</sup> and a reversible capacity of 3.13 mAh cm<sup>−2</sup> after 300 cycles at a current density of 1.4 mA cm<sup>−2</sup>. It is attributed that the porous Cu shell encapsulated with porous SnO<sub>2</sub> provides buffer volume. Among them, the SnO<sub>2</sub>-Cu-SnO<sub>2</sub> interface increases the electrical conductivity and the porous structure provides ion transport channels. This strategy opens a new pathway in the development of self-supporting electrode materials with high energy density.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"198 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138689776","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}
Pub Date : 2023-11-30DOI: 10.1088/2515-7655/ad0e2a
Fiammetta Rita Bianchi, Antonio Maria Asensio, Davide Clematis, Barbara Bosio, Antonio Barbucci
Mixed ionic and electronic conductor double perovskites are very promising oxygen electrode materials for solid oxide cell technology. However, understanding their specific kinetic mechanism is a fundamental preliminary step towards detecting the best reachable performance, optimising the operation conditions and the electrode architecture. Indeed, the contributions of different rate-determining steps can vary as a function of the working point. In this framework, after a detailed experimental campaign devoted to the study of SmBa0.8Ca0.2Co2O5+δ (SBCCO) oxygen electrode behaviour, the authors propose a theoretical analysis of oxygen reduction and oxygen evolution reaction paths that couples a preliminary study through equivalent circuit analysis with a physics-based model to predict the operation of SBCCO as a reversible oxygen electrode. Following a semi-empirical approach, the kinetics formulation was derived from thermodynamics and electrochemistry fundamental principles and was tuned on electrochemical impedance spectroscopy (EIS) spectra in order to retrieve the unknown kinetic parameters. The successful cross-checking of the simulated results with the experimental data obtained by direct current measurements validated the proposed model, here applicable in further works on full cells to simulate the SBCCO oxygen reversible electrode performance.
{"title":"A kinetic study on oxygen redox reaction of a double-perovskite reversible oxygen electrode— Part II: Modelling analysis","authors":"Fiammetta Rita Bianchi, Antonio Maria Asensio, Davide Clematis, Barbara Bosio, Antonio Barbucci","doi":"10.1088/2515-7655/ad0e2a","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0e2a","url":null,"abstract":"Mixed ionic and electronic conductor double perovskites are very promising oxygen electrode materials for solid oxide cell technology. However, understanding their specific kinetic mechanism is a fundamental preliminary step towards detecting the best reachable performance, optimising the operation conditions and the electrode architecture. Indeed, the contributions of different rate-determining steps can vary as a function of the working point. In this framework, after a detailed experimental campaign devoted to the study of SmBa<sub>0.8</sub>Ca<sub>0.2</sub>Co<sub>2</sub>O<sub>5+<italic toggle=\"yes\">δ</italic>\u0000</sub> (SBCCO) oxygen electrode behaviour, the authors propose a theoretical analysis of oxygen reduction and oxygen evolution reaction paths that couples a preliminary study through equivalent circuit analysis with a physics-based model to predict the operation of SBCCO as a reversible oxygen electrode. Following a semi-empirical approach, the kinetics formulation was derived from thermodynamics and electrochemistry fundamental principles and was tuned on electrochemical impedance spectroscopy (EIS) spectra in order to retrieve the unknown kinetic parameters. The successful cross-checking of the simulated results with the experimental data obtained by direct current measurements validated the proposed model, here applicable in further works on full cells to simulate the SBCCO oxygen reversible electrode performance.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"106 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138690095","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}
Pub Date : 2023-11-29DOI: 10.1088/2515-7655/ad0d01
Jinlong He, Tianle Yue, Jeffrey R McCutcheon, Ying Li
The recognition of membrane separations as a vital technology platform for enhancing the efficiency of separation processes has been steadily increasing. Concurrently, 3D printing has emerged as an innovative approach to fabricating reverse osmosis membranes for water desalination and treatment purposes. This method provides a high degree of control over membrane chemistry and structural properties. In particular, when compared to traditional manufacturing techniques, 3D printing holds the potential to expedite customization, a feat that is typically achieved through conventional manufacturing methods but often involves numerous processes and significant costs. This review aims to present the current advancements in membrane manufacturing technology specifically tailored for water desalination purposes, with a particular focus on the development of 3D-printed membranes. A comprehensive analysis of recent progress in 3D-printed membranes is provided. However, conducting experimental work to investigate various influential factors while ensuring consistent results poses a significant challenge. To address this, we explore how membrane manufacturing processes and performance can be effectively pre-designed and guided through the use of molecular dynamics simulations. Finally, this review outlines the challenges faced and presents future perspectives to shed light on research directions for optimizing membrane manufacturing processes and achieving optimal membrane performance.
人们越来越认识到，膜分离是提高分离过程效率的重要技术平台。与此同时，3D 打印已成为制造用于海水淡化和处理的反渗透膜的创新方法。这种方法可对膜的化学和结构特性进行高度控制。特别是，与传统制造技术相比，三维打印技术具有加快定制化的潜力，而这通常是通过传统制造方法实现的，但往往涉及众多工序和大量成本。本综述旨在介绍专门用于海水淡化的膜制造技术的最新进展，尤其关注 3D 打印膜的开发。本文全面分析了三维打印膜的最新进展。然而，开展实验工作以研究各种影响因素，同时确保结果的一致性是一项重大挑战。为了解决这个问题，我们探讨了如何通过使用分子动力学模拟来有效地预先设计和指导膜的制造过程和性能。最后，本综述概述了所面临的挑战，并提出了未来展望，以阐明优化膜制造工艺和实现最佳膜性能的研究方向。
{"title":"Recent developments in 3D-printed membranes for water desalination","authors":"Jinlong He, Tianle Yue, Jeffrey R McCutcheon, Ying Li","doi":"10.1088/2515-7655/ad0d01","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0d01","url":null,"abstract":"The recognition of membrane separations as a vital technology platform for enhancing the efficiency of separation processes has been steadily increasing. Concurrently, 3D printing has emerged as an innovative approach to fabricating reverse osmosis membranes for water desalination and treatment purposes. This method provides a high degree of control over membrane chemistry and structural properties. In particular, when compared to traditional manufacturing techniques, 3D printing holds the potential to expedite customization, a feat that is typically achieved through conventional manufacturing methods but often involves numerous processes and significant costs. This review aims to present the current advancements in membrane manufacturing technology specifically tailored for water desalination purposes, with a particular focus on the development of 3D-printed membranes. A comprehensive analysis of recent progress in 3D-printed membranes is provided. However, conducting experimental work to investigate various influential factors while ensuring consistent results poses a significant challenge. To address this, we explore how membrane manufacturing processes and performance can be effectively pre-designed and guided through the use of molecular dynamics simulations. Finally, this review outlines the challenges faced and presents future perspectives to shed light on research directions for optimizing membrane manufacturing processes and achieving optimal membrane performance.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"7 1","pages":""},"PeriodicalIF":6.9,"publicationDate":"2023-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138689705","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：