Pub Date : 2023-10-26DOI: 10.1088/2515-7655/ad0739
Venkateswaran Vivekananthan, Arunkumar Chandrasekhar, Bhaskar Dudem, Gaurav Khandelwal, S Ravi P Silva, Sang-Jae Kim
Abstract Triboelectric nanogenerators (TENG) work on the principle of tribo and contact electrification, which is a common effect observed in daily life. TENGs are moving closer to commercialization, particularly for small scale energy harvesting and self-powered sensing. The toys and games industry has attracted a huge audience recently with the introduction of digital toys. In this paper we embedded TENGs to power up a toy and operate during its specific application. We have modified two potential electronic demonstrator applications using TENG for lobster toy (LT-TENG) and stress ball (SB-TENG) device. The LT-TENG device generates a maximum electrical response of 60 V/ 2 µA, with a power of 55 µW and power density of 0.065 µW/m2 at a load resistance value of 10 MΩ. Similarly, the SB-TENG device made of aluminum and PDMS as the triboelectric layers generates a maximum electrical output response of 800 V and 4 µA peak to peak current with an instantaneous power of 6 mW and a power density of 3.5 mW/m2 respectively at a load resistance of 10 MΩ. In addition, the layers of the TENGs are packed with polyethylene to maintain the performance of the nanogenerator under harsh environmental conditions, especially with humid environments. The water resistance studies proved that the packed SB-TENG is impervious to water. The LT-TENG device is accompanied by four LEDs, and the device lights up upon actuating the handle. The stress ball is connected with the measuring instrument to record the quantity of force at which the stress ball is pressed. The adopted approach paves the way to convert these traditional toys into battery-free electronic designs and its commercialization.
{"title":"Contact-electrification enabled water-resistant triboelectric nanogenerators as demonstrator educational appliances","authors":"Venkateswaran Vivekananthan, Arunkumar Chandrasekhar, Bhaskar Dudem, Gaurav Khandelwal, S Ravi P Silva, Sang-Jae Kim","doi":"10.1088/2515-7655/ad0739","DOIUrl":"https://doi.org/10.1088/2515-7655/ad0739","url":null,"abstract":"Abstract Triboelectric nanogenerators (TENG) work on the principle of tribo and contact electrification, which is a common effect observed in daily life. TENGs are moving closer to commercialization, particularly for small scale energy harvesting and self-powered sensing. The toys and games industry has attracted a huge audience recently with the introduction of digital toys. In this paper we embedded TENGs to power up a toy and operate during its specific application. We have modified two potential electronic demonstrator applications using TENG for lobster toy (LT-TENG) and stress ball (SB-TENG) device. The LT-TENG device generates a maximum electrical response of 60 V/ 2 µA, with a power of 55 µW and power density of 0.065 µW/m2 at a load resistance value of 10 MΩ. Similarly, the SB-TENG device made of aluminum and PDMS as the triboelectric layers generates a maximum electrical output response of 800 V and 4 µA peak to peak current with an instantaneous power of 6 mW and a power density of 3.5 mW/m2 respectively at a load resistance of 10 MΩ. In addition, the layers of the TENGs are packed with polyethylene to maintain the performance of the nanogenerator under harsh environmental conditions, especially with humid environments. The water resistance studies proved that the packed SB-TENG is impervious to water. The LT-TENG device is accompanied by four LEDs, and the device lights up upon actuating the handle. The stress ball is connected with the measuring instrument to record the quantity of force at which the stress ball is pressed. The adopted approach paves the way to convert these traditional toys into battery-free electronic designs and its commercialization.
","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134907686","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}
Abstract A new chapter of space exploration is opening with future long-duration space missions toward the Moon and Mars. In this context, the European Space Agency (ESA) is developing out-of-the-earth manufacturing abilities, to overcome the absence of regular supplies for astronauts’ vital needs (food, health, housing, energy). Additive manufacturing is at the heart of this evolution because it allows the fabrication of tailorable and complex shapes, with a considerable ease of process. Fused Filament Fabrication (FFF), the most generalized 3D printing technique, has been integrated into the International Space Station (ISS) to produce polymer parts in microgravity. Filament deposition printing has also a key role to play in Li-ion battery (LIB) manufacturing. Indeed, it could reduce manufacturing cost & time, through one-shot printing of LIB, and improve battery performances with suitable 3D architectures. Thus, additive manufacturing via FFF of LIB in microgravity would open the way to In-Space Manufacturing (ISM) of energy storage devices. However, as liquid and volatile species are not compatible with a space station-confined environment, solvent-free 3D printing of polymer electrolytes is a necessary step to make battery printing in microgravity feasible. This is a challenging stage because of a strong opposition between the mechanical requirements of the feeding filament and electrochemical properties. Nowadays, polymer electrolyte manufacturing remains a hot topic and lots of strategies are currently being studied to overcome their poor ionic conductivity at room temperature. This work firstly gives a state of the art on the 3D printing of Li-ion batteries by FFF. Then, a summary of ionic conduction mechanisms in polymer electrolytes permits to understand the several strategies studied to enhance polymer electrolytes performances. Thanks to the confrontation with the specifications of FFF printing and the microgravity environment, polymer blends and composite electrolytes turn out to be the most suitable strategies to 3D print a lithium-ion polymer battery in microgravity.
{"title":"3D printing of solid polymer electrolytes by Fused Filament Fabrication: challenges towards in-space manufacturing","authors":"Félix Bourseau, Sylvie Grugeon, Ugo Lafont, Loïc Dupont","doi":"10.1088/2515-7655/ad02be","DOIUrl":"https://doi.org/10.1088/2515-7655/ad02be","url":null,"abstract":"Abstract A new chapter of space exploration is opening with future long-duration space missions toward the Moon and Mars. In this context, the European Space Agency (ESA) is developing out-of-the-earth manufacturing abilities, to overcome the absence of regular supplies for astronauts’ vital needs (food, health, housing, energy). Additive manufacturing is at the heart of this evolution because it allows the fabrication of tailorable and complex shapes, with a considerable ease of process. Fused Filament Fabrication (FFF), the most generalized 3D printing technique, has been integrated into the International Space Station (ISS) to produce polymer parts in microgravity. Filament deposition printing has also a key role to play in Li-ion battery (LIB) manufacturing. Indeed, it could reduce manufacturing cost & time, through one-shot printing of LIB, and improve battery performances with suitable 3D architectures. Thus, additive manufacturing via FFF of LIB in microgravity would open the way to In-Space Manufacturing (ISM) of energy storage devices. However, as liquid and volatile species are not compatible with a space station-confined environment, solvent-free 3D printing of polymer electrolytes is a necessary step to make battery printing in microgravity feasible. This is a challenging stage because of a strong opposition between the mechanical requirements of the feeding filament and electrochemical properties. Nowadays, polymer electrolyte manufacturing remains a hot topic and lots of strategies are currently being studied to overcome their poor ionic conductivity at room temperature. This work firstly gives a state of the art on the 3D printing of Li-ion batteries by FFF. Then, a summary of ionic conduction mechanisms in polymer electrolytes permits to understand the several strategies studied to enhance polymer electrolytes performances. Thanks to the confrontation with the specifications of FFF printing and the microgravity environment, polymer blends and composite electrolytes turn out to be the most suitable strategies to 3D print a lithium-ion polymer battery in microgravity.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"48 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136013701","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 : 2023-10-01DOI: 10.1088/2515-7655/acfe9b
Chao Zhang, Jun Cheng, Yiming Chen, Maria Chan, Qiong Cai, Rodrigo P Carvalho, Cleber F N Marchiori, Daniel Brandell, C Moyses Araujo, Ming Chen, Xiangyu Ji, Guang Feng, Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne, Toshihiko Mandai, Tomooki Hosaka, Mirna Alhanash, Patrik Johansson, Yunze Qiu, Hai Xiao, Michael H Eikerling, Ryosuke Jinnouchi, Marko M Melander, Georg Kastlunger, Assil Bouzid, Alfredo Pasquarello, Seung-Jae Shin, Minho M Kim, Hyungjun Kim, Kathleen Schwarz, Ravishankar Sundararaman
New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as empowered by machine learning techniques can help us to understand, control and design electrochemical energy materials at atomistic precision. Therefore, this roadmap, which is a collection of authoritative opinions, serves as a gateway for both the experts and the beginners to have a quick overview of the current status and corresponding challenges in molecular modelling of electrochemical energy materials for batteries, supercapacitors, CO2 reduction reaction, and fuel cell applications.
{"title":"2023 roadmap on molecular modelling of electrochemical energy materials","authors":"Chao Zhang, Jun Cheng, Yiming Chen, Maria Chan, Qiong Cai, Rodrigo P Carvalho, Cleber F N Marchiori, Daniel Brandell, C Moyses Araujo, Ming Chen, Xiangyu Ji, Guang Feng, Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne, Toshihiko Mandai, Tomooki Hosaka, Mirna Alhanash, Patrik Johansson, Yunze Qiu, Hai Xiao, Michael H Eikerling, Ryosuke Jinnouchi, Marko M Melander, Georg Kastlunger, Assil Bouzid, Alfredo Pasquarello, Seung-Jae Shin, Minho M Kim, Hyungjun Kim, Kathleen Schwarz, Ravishankar Sundararaman","doi":"10.1088/2515-7655/acfe9b","DOIUrl":"https://doi.org/10.1088/2515-7655/acfe9b","url":null,"abstract":"New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as empowered by machine learning techniques can help us to understand, control and design electrochemical energy materials at atomistic precision. Therefore, this roadmap, which is a collection of authoritative opinions, serves as a gateway for both the experts and the beginners to have a quick overview of the current status and corresponding challenges in molecular modelling of electrochemical energy materials for batteries, supercapacitors, CO2 reduction reaction, and fuel cell applications.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"80 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135369260","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 : 2023-10-01DOI: 10.1088/2515-7655/acff18
Ming Yu, Andrei Los, Gang Xiong
Abstract Tandem solar cells have received a lot attention from academia and industrial researchers as the potential next-generation PV technology, with higher efficiency above the limit of single-junction solar cells. Thin-film/thin-film (TF/TF) tandems are attractive due to similar toolset and processes producing the top and bottom cells, which improve scalability and promote cost reduction compared to TF/wafer tandem technologies. TF/TF/tandems additionally offer more absorber bandgap flexibility that promotes photovoltaic conversion efficiency optimization. Many materials not suitable for single junction solar cells can be explored as tandem top or bottom cells. To assess the practical efficiency potential of tandem solar cells limited by non-ideal material and device quality, we present a Shockley–Queisser-like efficiency calculation for tandem devices consisting of non-ideal top and bottom cells and with a range of absorber band gaps. The non-ideality is introduced through an experimentally measurable external radiative quantum efficiency (ERE). We find that a range of top and bottom cell band gaps enabling the highest tandem efficiency shifts from the ideal Shockley–Queisser case and depends on the top and bottom cell ERE. Furthermore, tandem cell efficiency greater than 37% can be achieved with very modest top/bottom cell EREs, for example of only 0.008%/0.5% which is typical for CdTe/CIS cells. Our results indicate that high efficiency tandem solar cells have good probability to be manufactured at high volume within a foreseeable future, despite non-ideal material and device quality due to early stages of development or constraint by manufacturing requirements. Finally, we review a number of mature and emerging thin film absorber material candidates for tandem applications. We discuss properties of these materials and the corresponding device performance as well as the associated technological challenges. We concludes on the promise of each of these materials for tandem applications that is expected to provide guidance to the photovoltaic research community.
{"title":"Thin film absorbers for tandem solar cells: an industrial perspective","authors":"Ming Yu, Andrei Los, Gang Xiong","doi":"10.1088/2515-7655/acff18","DOIUrl":"https://doi.org/10.1088/2515-7655/acff18","url":null,"abstract":"Abstract Tandem solar cells have received a lot attention from academia and industrial researchers as the potential next-generation PV technology, with higher efficiency above the limit of single-junction solar cells. Thin-film/thin-film (TF/TF) tandems are attractive due to similar toolset and processes producing the top and bottom cells, which improve scalability and promote cost reduction compared to TF/wafer tandem technologies. TF/TF/tandems additionally offer more absorber bandgap flexibility that promotes photovoltaic conversion efficiency optimization. Many materials not suitable for single junction solar cells can be explored as tandem top or bottom cells. To assess the practical efficiency potential of tandem solar cells limited by non-ideal material and device quality, we present a Shockley–Queisser-like efficiency calculation for tandem devices consisting of non-ideal top and bottom cells and with a range of absorber band gaps. The non-ideality is introduced through an experimentally measurable external radiative quantum efficiency (ERE). We find that a range of top and bottom cell band gaps enabling the highest tandem efficiency shifts from the ideal Shockley–Queisser case and depends on the top and bottom cell ERE. Furthermore, tandem cell efficiency greater than 37% can be achieved with very modest top/bottom cell EREs, for example of only 0.008%/0.5% which is typical for CdTe/CIS cells. Our results indicate that high efficiency tandem solar cells have good probability to be manufactured at high volume within a foreseeable future, despite non-ideal material and device quality due to early stages of development or constraint by manufacturing requirements. Finally, we review a number of mature and emerging thin film absorber material candidates for tandem applications. We discuss properties of these materials and the corresponding device performance as well as the associated technological challenges. We concludes on the promise of each of these materials for tandem applications that is expected to provide guidance to the photovoltaic research community.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135407927","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 : 2023-10-01DOI: 10.1088/2515-7655/acfb39
Franziska Louia, Nicolas Michaelis, Andreas Schuetze, Stefan Seelecke, Paul Motzki
Abstract This paper presents a novel approach to characterizing the relevant mechanical, thermal and caloric properties of elastocalorics material in a single testing device. Usually, tensile experiments are performed to determine the rate- and process-depending stress/strain behavior of nickel-titanium-based shape memory alloys and potentially other elastocaloric materials made from metallic alloys. These tests are relevant for, e.g., characterization of hysteresis properties and subsequent calculation of mechanical work input. In addition, simultaneous observation with an infrared camera is useful to understand temperature evolution and maximum temperature changes achievable during the loading/unloading process. Characterization of the caloric properties of the materials determines latent heats and, together with the mechanical work, also the material coefficient of performance. It is typically carried out via differential scanning calorimetry (DSC), which is performed in a separate device and requires a second experiment with different types of samples. Furthermore, DSC measurements do not reflect the way mechanically induced phase transformations trigger the release and absorption of latent heats as it is the case for elastocalorics. In order to provide a more consistent understanding of the relevant elastocaloric material properties, we here present a novel method that (a) allows for a systematic determination of load-dependent latent heats and (b) introduces a comprehensive testing setup and suitable testing routine to determine the mechanical, thermal and caloric parameters in the same experimental device and with the same sample, thus greatly simplifying the overall procedure.
{"title":"A unified approach to thermo-mechano-caloric -characterization of elastocaloric materials","authors":"Franziska Louia, Nicolas Michaelis, Andreas Schuetze, Stefan Seelecke, Paul Motzki","doi":"10.1088/2515-7655/acfb39","DOIUrl":"https://doi.org/10.1088/2515-7655/acfb39","url":null,"abstract":"Abstract This paper presents a novel approach to characterizing the relevant mechanical, thermal and caloric properties of elastocalorics material in a single testing device. Usually, tensile experiments are performed to determine the rate- and process-depending stress/strain behavior of nickel-titanium-based shape memory alloys and potentially other elastocaloric materials made from metallic alloys. These tests are relevant for, e.g., characterization of hysteresis properties and subsequent calculation of mechanical work input. In addition, simultaneous observation with an infrared camera is useful to understand temperature evolution and maximum temperature changes achievable during the loading/unloading process. Characterization of the caloric properties of the materials determines latent heats and, together with the mechanical work, also the material coefficient of performance. It is typically carried out via differential scanning calorimetry (DSC), which is performed in a separate device and requires a second experiment with different types of samples. Furthermore, DSC measurements do not reflect the way mechanically induced phase transformations trigger the release and absorption of latent heats as it is the case for elastocalorics. In order to provide a more consistent understanding of the relevant elastocaloric material properties, we here present a novel method that (a) allows for a systematic determination of load-dependent latent heats and (b) introduces a comprehensive testing setup and suitable testing routine to determine the mechanical, thermal and caloric parameters in the same experimental device and with the same sample, thus greatly simplifying the overall procedure.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"112 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135274840","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 : 2023-10-01DOI: 10.1088/2515-7655/ad02bf
Alejandro Salvatori, María del Barrio, Philippe Negrier, Stéphane Massip, Michela Romanini, Araceli Aznar, Pol Lloveras, Josep-Lluís Tamarit
Abstract Plastic crystals have emerged as benchmark barocaloric (BC) materials for potential solid-state cooling and heating applications due to huge isothermal entropy changes and adiabatic temperature changes driven by pressure. In this work we investigate the BC response of the neopentane derivative 2-methyl-2-nitro-1-propanol (NO 2 C(CH 3 ) 2 CH 2 OH) in a wide temperature range using x-ray diffraction, dilatometry and pressure-dependent differential thermal analysis. Near the ordered-to-plastic transition, we find colossal BC effects of ≃ 400 J K −1 kg −1 and ≃ 5 K upon pressure changes of 100 MPa. Although reversible effects at the transition are obtained only from higher pressure changes due to hysteretic effects, we do obtain fully reversible BC effects from any pressure change in individual phases, that become giant at moderate pressures due to very large thermal expansion, especially in the plastic phase. From our measurements, we also determine the crystal structure of the low-temperature phase and estimate the contribution of the configurational disorder and the volume change to the total transition entropy change.
{"title":"Barocaloric response of plastic crystal 2-methyl-2-nitro-1-propanol across and far from the solid-solid phase transition","authors":"Alejandro Salvatori, María del Barrio, Philippe Negrier, Stéphane Massip, Michela Romanini, Araceli Aznar, Pol Lloveras, Josep-Lluís Tamarit","doi":"10.1088/2515-7655/ad02bf","DOIUrl":"https://doi.org/10.1088/2515-7655/ad02bf","url":null,"abstract":"Abstract Plastic crystals have emerged as benchmark barocaloric (BC) materials for potential solid-state cooling and heating applications due to huge isothermal entropy changes and adiabatic temperature changes driven by pressure. In this work we investigate the BC response of the neopentane derivative 2-methyl-2-nitro-1-propanol (NO 2 C(CH 3 ) 2 CH 2 OH) in a wide temperature range using x-ray diffraction, dilatometry and pressure-dependent differential thermal analysis. Near the ordered-to-plastic transition, we find colossal BC effects of <?CDATA $simeq$?> <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\"> <mml:mo>≃</mml:mo> </mml:math> 400 J K −1 kg −1 and <?CDATA $simeq$?> <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\"> <mml:mo>≃</mml:mo> </mml:math> 5 K upon pressure changes of 100 MPa. Although reversible effects at the transition are obtained only from higher pressure changes due to hysteretic effects, we do obtain fully reversible BC effects from any pressure change in individual phases, that become giant at moderate pressures due to very large thermal expansion, especially in the plastic phase. From our measurements, we also determine the crystal structure of the low-temperature phase and estimate the contribution of the configurational disorder and the volume change to the total transition entropy change.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"43 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135705781","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 : 2023-10-01DOI: 10.1088/2515-7655/ad040f
Harish Singh, David Prendergast, Manashi Nath
Abstract Anion-tuning in metallic chalcogenides has been shown to have a significant impact on their electrocatalytic ability for overall water splitting. In this article, copper-based chalcogenides (Cu 2 X, X = O, S, Se, and Te) have been systematically studied to examine the effect of decreasing anion electronegativity and increasing covalency on the electrocatalytic performance. Among the copper chalcogenides, Cu 2 Te has the highest oxygen evolution reaction (OER) activity and can sustain high current density of 10 and 50 mA cm −2 for 12 h. The difference in intrinsic catalytic activity of these chalcogenide surfaces have been also probed through density functional theory calculations, which was used to estimate energy of the catalyst activation step. It was observed that the hydroxyl adsorption on the surface catalytic site is critically important for the onset and progress of OER activity. Consequently, it was also observed that the –OH adsorption energy can be used as a simple but accurate descriptor to explain the catalytic efficiency through volcano-like correlation plot. Such observation will have a significant impact on developing design principle for optimal catalytic surface exhibiting high performance as well as prolonged stability.
金属硫族化合物中的阴离子调谐对其整体水裂解的电催化能力有显著影响。本文系统地研究了铜基硫族化合物(cu2x、X = O、S、Se和Te)，考察了阴离子电负性降低和共价增加对电催化性能的影响。在硫族铜中，cu2te具有最高的析氧反应(OER)活性，可以维持10和50 mA cm−2的高电流密度12 h。通过密度泛函理论计算，探讨了这些硫族铜表面的本构催化活性的差异，并使用密度泛函理论计算来估计催化剂激活步骤的能量。观察到羟基在表面催化位点的吸附对OER活性的发生和发展至关重要。结果表明，-OH吸附能可以作为一个简单而准确的描述符，通过类似火山的相关图来解释催化效率。这一观察结果将对开发具有高性能和长时间稳定性的最佳催化表面的设计原则产生重大影响。
{"title":"Modulation of electrocatalytic activity by tuning anion electronegativity: case study with copper chalcogenides","authors":"Harish Singh, David Prendergast, Manashi Nath","doi":"10.1088/2515-7655/ad040f","DOIUrl":"https://doi.org/10.1088/2515-7655/ad040f","url":null,"abstract":"Abstract Anion-tuning in metallic chalcogenides has been shown to have a significant impact on their electrocatalytic ability for overall water splitting. In this article, copper-based chalcogenides (Cu 2 X, X = O, S, Se, and Te) have been systematically studied to examine the effect of decreasing anion electronegativity and increasing covalency on the electrocatalytic performance. Among the copper chalcogenides, Cu 2 Te has the highest oxygen evolution reaction (OER) activity and can sustain high current density of 10 and 50 mA cm −2 for 12 h. The difference in intrinsic catalytic activity of these chalcogenide surfaces have been also probed through density functional theory calculations, which was used to estimate energy of the catalyst activation step. It was observed that the hydroxyl adsorption on the surface catalytic site is critically important for the onset and progress of OER activity. Consequently, it was also observed that the –OH adsorption energy can be used as a simple but accurate descriptor to explain the catalytic efficiency through volcano-like correlation plot. Such observation will have a significant impact on developing design principle for optimal catalytic surface exhibiting high performance as well as prolonged stability.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"117 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135810479","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 : 2023-10-01DOI: 10.1088/2515-7655/acfc66
None Aakanksha, Asit Sahoo, Ashwini Kumar Sharma, Yogesh Sharma
Abstract Lithium-iron phosphate (LFP) has emerged as a potential cathode material due to its lower cost and higher stabilities. This work investigates LFP cell behavior at higher C-rates via a detailed simulation study. To facilitate this investigation, a physics-based electrochemical model is calibrated and validated with in-house experimental data. The validated model is used to study the effect of particle size, lithium diffusivity, and electrode thickness on the charge-discharge capacity of Li-LFP cells for a range of C-rates up to 5 C. A detailed discussion is carried out to explain the results of parametric studies, in terms of transport limitations, irreversible losses (overpotentials) and their dependence on different electrode parameters. The model helps us to depict the effect of these parameters on internal profiles of SOC and overpotentials, allowing for a deeper understanding of the cell behavior. Overall, the simulations show that the LFP cell is able to exhibit good capacity at higher C-rates by tuning the particle size and lithium diffusivity. An optimal combination of material and physical parameters is identified to maximize the possible capacity of LFP electrodes.
{"title":"Physics based modeling of LiFePO<sub>4</sub> cathodes: effects of electrode parameters on cell performance during fast charging","authors":"None Aakanksha, Asit Sahoo, Ashwini Kumar Sharma, Yogesh Sharma","doi":"10.1088/2515-7655/acfc66","DOIUrl":"https://doi.org/10.1088/2515-7655/acfc66","url":null,"abstract":"Abstract Lithium-iron phosphate (LFP) has emerged as a potential cathode material due to its lower cost and higher stabilities. This work investigates LFP cell behavior at higher C-rates via a detailed simulation study. To facilitate this investigation, a physics-based electrochemical model is calibrated and validated with in-house experimental data. The validated model is used to study the effect of particle size, lithium diffusivity, and electrode thickness on the charge-discharge capacity of Li-LFP cells for a range of C-rates up to 5 C. A detailed discussion is carried out to explain the results of parametric studies, in terms of transport limitations, irreversible losses (overpotentials) and their dependence on different electrode parameters. The model helps us to depict the effect of these parameters on internal profiles of SOC and overpotentials, allowing for a deeper understanding of the cell behavior. Overall, the simulations show that the LFP cell is able to exhibit good capacity at higher C-rates by tuning the particle size and lithium diffusivity. An optimal combination of material and physical parameters is identified to maximize the possible capacity of LFP electrodes.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135605383","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 : 2023-10-01DOI: 10.1088/2515-7655/acfbb8
Florian Metzler, Jorge I Sandoval, Nicola Galvanetto
Abstract Quantum engineering seeks to create novel technologies based on the exploitation of distinctly nonclassical behaviors such as quantum coherence. The vast majority of currently pursued applications fall into the domain of quantum information science, with quantum computing as the most visible subdomain. However, other applications of quantum engineering are fast emerging. Here, we review the deployment of quantum engineering principles in the fields of solar energy, batteries, and nuclear energy. We identify commonalities across quantum engineering approaches in those apparently disparate fields and draw direct parallels to quantum information science. We find that a shared knowledge base is forming, which de facto corresponds to a new domain that we refer to as ‘quantum energy science’. Quantum energy science bears the promise of substantial performance improvements across energy technologies such as organic solar cells, batteries, and nuclear fusion. The recognition of this emerging domain may be of great relevance to actors concerned with energy innovation. It may also benefit active researchers in this domain by increasing visibility and motivating the deployment of resources and institutional support.
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Pub Date : 2023-09-29DOI: 10.1088/2515-7655/acfbf8
Theodore D C Hobson, Luke Thomas, Laurie J Phillips, Leanne A H Jones, Matthew J Smiles, Christopher H Don, Pardeep K Thakur, Huw Shiel, Stephen Campbell, Vincent Barrioz, Vin Dhanak, Tim Veal, Jonathan D Major, Ken Durose
Abstract We explored the in-situ doping of cadmium telluride thin films with indium to produce n-type absorbers as an alternative to the near-universal choice of p-type for photovoltaic devices. The films were grown by close space sublimation from melt-synthesised feedstock. Transfer of the indium during film growth was limited to 0.0014%–0.014%—unless reducing conditions were used which yielded 14%–28% efficient transport. While chunks of bulk feedstock were verified as n-type by the hot probe method, carrier type of thin film material was only able to be verified by using hard x-ray photoelectron spectroscopy to determine the Fermi level position within the band gap. The assignment of n-type conductivity was consistent with the rectification behaviour of a p-InP/CdTe:In junction. However, chloride treatment had the effect of compensating n-CdTe:In to near-intrinsic levels. Without chloride, the highest dopant activation was 20% of the chemical concentration of indium, this being for a film having a carrier concentration of n = 2 × 10 15 cm −3 . However, the activation was often much lower, and compensation due to over-doping with indium and native defects (stoichiometry) are discussed. Results from preliminary bifacial devices comprising Au/P3HT/ZnTe/CdTe:In/CdS/FTO/glass are presented.
{"title":"n-type CdTe:In for photovoltaics: in situ doping, type verification and compensation effects","authors":"Theodore D C Hobson, Luke Thomas, Laurie J Phillips, Leanne A H Jones, Matthew J Smiles, Christopher H Don, Pardeep K Thakur, Huw Shiel, Stephen Campbell, Vincent Barrioz, Vin Dhanak, Tim Veal, Jonathan D Major, Ken Durose","doi":"10.1088/2515-7655/acfbf8","DOIUrl":"https://doi.org/10.1088/2515-7655/acfbf8","url":null,"abstract":"Abstract We explored the in-situ doping of cadmium telluride thin films with indium to produce n-type absorbers as an alternative to the near-universal choice of p-type for photovoltaic devices. The films were grown by close space sublimation from melt-synthesised feedstock. Transfer of the indium during film growth was limited to 0.0014%–0.014%—unless reducing conditions were used which yielded 14%–28% efficient transport. While chunks of bulk feedstock were verified as n-type by the hot probe method, carrier type of thin film material was only able to be verified by using hard x-ray photoelectron spectroscopy to determine the Fermi level position within the band gap. The assignment of n-type conductivity was consistent with the rectification behaviour of a p-InP/CdTe:In junction. However, chloride treatment had the effect of compensating n-CdTe:In to near-intrinsic levels. Without chloride, the highest dopant activation was 20% of the chemical concentration of indium, this being for a film having a carrier concentration of n = 2 × 10 15 cm −3 . However, the activation was often much lower, and compensation due to over-doping with indium and native defects (stoichiometry) are discussed. Results from preliminary bifacial devices comprising Au/P3HT/ZnTe/CdTe:In/CdS/FTO/glass are presented.","PeriodicalId":48500,"journal":{"name":"Journal of Physics-Energy","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135131597","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}
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