Journal of Physics-Energy最新文献

{"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_{1+<italic toggle=\"yes\">x</italic>\u0000}Al<italic toggle=\"yes\">\u0000_x\u0000</italic>Ti_{2−<italic toggle=\"yes\">x</italic>\u0000}(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 <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}

{"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_{2−<italic toggle=\"yes\">x</italic>\u0000} (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. <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> 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.","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}

{"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 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.","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}

{"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 (MAPbI₃) 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 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 <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}

{"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 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.","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}

{"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 (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.","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}

{"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/CO₂ electrolysis cells and electrochemical air separation units. In view of the encouraging results shown by SmBa_{1−<italic toggle=\"yes\">x</italic>\u0000}Ca<italic toggle=\"yes\">\u0000_x\u0000</italic>Co₂O_{5+<italic toggle=\"yes\">δ</italic>\u0000} co-doped double perovskite, this research work aims at a detailed analysis of SmBa_0.8Ca_0.2Co₂O_{5+<italic toggle=\"yes\">δ</italic>\u0000} 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}

{"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 (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 Cu_5.6Sn 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.","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}

{"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_0.8Ca_0.2Co₂O_{5+<italic toggle=\"yes\">δ</italic>\u0000} (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}

{"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}