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Achieving Safe and Stable Lithium-Based Batteries via Molecular Dipole Interactions
IF 19.3 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.5c0071010.1021/acsenergylett.5c00710
Siru He, Peide Zhu, Zhixin Liu, Lida Wang, Zhitong Li, Yuejiao Chen, Libao Chen, Xingzhu Wang* and Baomin Xu*, 
{"title":"Achieving Safe and Stable Lithium-Based Batteries via Molecular Dipole Interactions","authors":"Siru He,&nbsp;Peide Zhu,&nbsp;Zhixin Liu,&nbsp;Lida Wang,&nbsp;Zhitong Li,&nbsp;Yuejiao Chen,&nbsp;Libao Chen,&nbsp;Xingzhu Wang* and Baomin Xu*,&nbsp;","doi":"10.1021/acsenergylett.5c0071010.1021/acsenergylett.5c00710","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00710https://doi.org/10.1021/acsenergylett.5c00710","url":null,"abstract":"<p >The lithium metal battery technology, utilizing a lithium metal anode and high-voltage cathodes, offers high power density, but faces challenges such as dendrite growth, dead lithium, and poor interfacial dynamics. Here, a nonflammable electrolyte is proposed based on dipole interactions between HTFP and DME solvents, enhancing Li<sup>+</sup>-FSI<sup>–</sup> coordination and reducing Li<sup>+</sup> desolvation energy. The dipole interaction lowers the LUMO energy of solvated FSI<sup>–</sup>, promoting the formation of a stable interfacial phase and efficient lithium deposition and stripping. Consequently, Li||NCM811 cells exhibit ∼90% capacity retention over 500 cycles with &gt;99.5% Coulombic efficiency and also perform well at −30 °C. In addition, commercial graphite||NCM523 pouch cells achieve 90% capacity retention after 500 cycles and high safety.</p>","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"10 4","pages":"1786–1794 1786–1794"},"PeriodicalIF":19.3,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143814471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Janus Membrane with Asymmetrical Proton Transport for Cross-Communication Harmony for an Extreme Lean Electrolyte Zn–V Battery
IF 19.3 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.5c0036910.1021/acsenergylett.5c00369
Chaozheng Liu, Bo Lin, Zhenglin Li, Chuhang Liu, Yao Wang, Weimin Chen, Wangwang Xu*, Mei-Chun Li, Shu Hong, Lei Zhang, Pei Yang, Min Wang, Kangning Zhao* and Changtong Mei*, 
{"title":"A Janus Membrane with Asymmetrical Proton Transport for Cross-Communication Harmony for an Extreme Lean Electrolyte Zn–V Battery","authors":"Chaozheng Liu,&nbsp;Bo Lin,&nbsp;Zhenglin Li,&nbsp;Chuhang Liu,&nbsp;Yao Wang,&nbsp;Weimin Chen,&nbsp;Wangwang Xu*,&nbsp;Mei-Chun Li,&nbsp;Shu Hong,&nbsp;Lei Zhang,&nbsp;Pei Yang,&nbsp;Min Wang,&nbsp;Kangning Zhao* and Changtong Mei*,&nbsp;","doi":"10.1021/acsenergylett.5c0036910.1021/acsenergylett.5c00369","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00369https://doi.org/10.1021/acsenergylett.5c00369","url":null,"abstract":"<p >The Zn metal anode demands a reduction in water activity and proton concentration to prevent undesirable side reactions, while the V-based cathode necessitates water as a “lubricant” and protons as intercalation guests, presenting a challenge in balancing these needs. Herein, we report a Janus membrane with asymmetrical proton transport for cross-communication harmony in Zn–V batteries, designed to harmonize these contrasting requirements. The MXene-rich phase blocks the proton/water transport through the F-termination site and effectively suppresses dendrite formation through epitaxial growth. Meanwhile, the proton selective cellulose-rich phase (H<sup>+</sup>/Zn<sup>2+</sup> selectivity of over 21) stabilizes the cathode/electrolyte interface by capturing dissolved vanadium and enhancing proton intercalation into the cathode. This designed Janus membrane enables a practical Zn–V full battery at a high depth of discharge of 66.7% and extreme lean electrolyte (1 g/Ah) conditions, enabling the high energy zinc battery (214.8 Wh/kg<sub>electrode</sub>). Our approach introduces a sustainable separator for long-lasting, high-performance zinc metal batteries.</p>","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"10 4","pages":"1795–1805 1795–1805"},"PeriodicalIF":19.3,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143814434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparing Intrinsic Catalytic Activity and Practical Performance of Ni- and Pt-Based Alkaline Anion Exchange Membrane Water Electrolyzer Cathodes
IF 22 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.5c00439
Advay Shirwalkar, Manjodh Kaur, Sichen Zhong, Max Pupucevski, Keda Hu, Yushan Yan, Judith Lattimer, James McKone
{"title":"Comparing Intrinsic Catalytic Activity and Practical Performance of Ni- and Pt-Based Alkaline Anion Exchange Membrane Water Electrolyzer Cathodes","authors":"Advay Shirwalkar, Manjodh Kaur, Sichen Zhong, Max Pupucevski, Keda Hu, Yushan Yan, Judith Lattimer, James McKone","doi":"10.1021/acsenergylett.5c00439","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00439","url":null,"abstract":"The stringent cost and performance requirements of renewable hydrogen production systems dictate that electrolyzers benefit from the use of nonprecious catalysts only if they deliver the same level of activity and durability as their precious metal counterparts. Here we report on recent work to understand interrelationships between the intrinsic activity of Ni- and Pt-based electrolyzer cathode catalysts and their performance in zero-gap alkaline water electrolyzer assemblies. Our results suggest that nanoparticulate Ni–Mo exhibits HER activity that is roughly 10-fold lower than Pt–Ru on the basis of turnover frequency under low (≤100 mV) polarization conditions. We further found that the HER activity of Ni–Mo/C cathodes is inhibited by aryl piperidinium anion-exchange ionomers bearing bicarbonate counter-anions. After addressing this poisoning effect, we produced electrolyzer assemblies based on Ni–Mo/C cathodes that delivered indistinguishable current density vs cell potential relationships compared to otherwise identical assemblies with Pt–Ru cathodes. This result indicates that the contribution of the cathode to the total cell polarization is small, even for the less active Ni–Mo/C catalyst, and further implies that Pt-based cathodes can indeed be replaced by nonprecious alternatives with no loss in performance.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"95 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Achieving Safe and Stable Lithium-Based Batteries via Molecular Dipole Interactions
IF 22 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.5c00710
Siru He, Peide Zhu, Zhixin Liu, Lida Wang, Zhitong Li, Yuejiao Chen, Libao Chen, Xingzhu Wang, Baomin Xu
{"title":"Achieving Safe and Stable Lithium-Based Batteries via Molecular Dipole Interactions","authors":"Siru He, Peide Zhu, Zhixin Liu, Lida Wang, Zhitong Li, Yuejiao Chen, Libao Chen, Xingzhu Wang, Baomin Xu","doi":"10.1021/acsenergylett.5c00710","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00710","url":null,"abstract":"The lithium metal battery technology, utilizing a lithium metal anode and high-voltage cathodes, offers high power density, but faces challenges such as dendrite growth, dead lithium, and poor interfacial dynamics. Here, a nonflammable electrolyte is proposed based on dipole interactions between HTFP and DME solvents, enhancing Li<sup>+</sup>-FSI<sup>–</sup> coordination and reducing Li<sup>+</sup> desolvation energy. The dipole interaction lowers the LUMO energy of solvated FSI<sup>–</sup>, promoting the formation of a stable interfacial phase and efficient lithium deposition and stripping. Consequently, Li||NCM811 cells exhibit ∼90% capacity retention over 500 cycles with &gt;99.5% Coulombic efficiency and also perform well at −30 °C. In addition, commercial graphite||NCM523 pouch cells achieve 90% capacity retention after 500 cycles and high safety.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"34 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Janus Membrane with Asymmetrical Proton Transport for Cross-Communication Harmony for an Extreme Lean Electrolyte Zn–V Battery
IF 22 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.5c00369
Chaozheng Liu, Bo Lin, Zhenglin Li, Chuhang Liu, Yao Wang, Weimin Chen, Wangwang Xu, Mei-Chun Li, Shu Hong, Lei Zhang, Pei Yang, Min Wang, Kangning Zhao, Changtong Mei
{"title":"A Janus Membrane with Asymmetrical Proton Transport for Cross-Communication Harmony for an Extreme Lean Electrolyte Zn–V Battery","authors":"Chaozheng Liu, Bo Lin, Zhenglin Li, Chuhang Liu, Yao Wang, Weimin Chen, Wangwang Xu, Mei-Chun Li, Shu Hong, Lei Zhang, Pei Yang, Min Wang, Kangning Zhao, Changtong Mei","doi":"10.1021/acsenergylett.5c00369","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00369","url":null,"abstract":"The Zn metal anode demands a reduction in water activity and proton concentration to prevent undesirable side reactions, while the V-based cathode necessitates water as a “lubricant” and protons as intercalation guests, presenting a challenge in balancing these needs. Herein, we report a Janus membrane with asymmetrical proton transport for cross-communication harmony in Zn–V batteries, designed to harmonize these contrasting requirements. The MXene-rich phase blocks the proton/water transport through the F-termination site and effectively suppresses dendrite formation through epitaxial growth. Meanwhile, the proton selective cellulose-rich phase (H<sup>+</sup>/Zn<sup>2+</sup> selectivity of over 21) stabilizes the cathode/electrolyte interface by capturing dissolved vanadium and enhancing proton intercalation into the cathode. This designed Janus membrane enables a practical Zn–V full battery at a high depth of discharge of 66.7% and extreme lean electrolyte (1 g/Ah) conditions, enabling the high energy zinc battery (214.8 Wh/kg<sub>electrode</sub>). Our approach introduces a sustainable separator for long-lasting, high-performance zinc metal batteries.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"183 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Surface Configuration Enables PbSe Quantum Dot Solar Cells with Efficiency beyond 12%
IF 19.3 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-18 DOI: 10.1021/acsenergylett.4c0332610.1021/acsenergylett.4c03326
Muhammad Irfan Ullah, Xiaobo Ding, Yang Liu, Yuquan Zou, Qura Tul Ain, Lin Yuan, Haotian Gao, Yu Yin, Ihsan Ullah, Guozheng Shi, Xiangqiang Pan*, Zeke Liu* and Wanli Ma*, 
{"title":"Surface Configuration Enables PbSe Quantum Dot Solar Cells with Efficiency beyond 12%","authors":"Muhammad Irfan Ullah,&nbsp;Xiaobo Ding,&nbsp;Yang Liu,&nbsp;Yuquan Zou,&nbsp;Qura Tul Ain,&nbsp;Lin Yuan,&nbsp;Haotian Gao,&nbsp;Yu Yin,&nbsp;Ihsan Ullah,&nbsp;Guozheng Shi,&nbsp;Xiangqiang Pan*,&nbsp;Zeke Liu* and Wanli Ma*,&nbsp;","doi":"10.1021/acsenergylett.4c0332610.1021/acsenergylett.4c03326","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c03326https://doi.org/10.1021/acsenergylett.4c03326","url":null,"abstract":"<p >Lead selenide (PbSe) quantum dots (QDs) are promising materials for optoelectronic devices owing to their strong confinement and high multiple exciton generation. Nevertheless, their full potential remains unrealized, hampered by the challenges of complex synthesis and insufficient passivation. Here, we have devised an optimized surface configuration strategy based on a directly synthesized semiconductive QD ink system. By integrating tailored passivation through a bifunctional molecule, we significantly improved both the optoelectronic properties and the colloidal stability of the QD inks. Consequently, the photovoltaic devices attained a power conversion efficiency (PCE) of 12.07%, marking the highest reported value among all PbSe QD solar cells. Additionally, the QD inks exhibit colloidal stability for over two months, demonstrating outstanding long-term performance. These results emphasize the efficacy of this method in producing high-performance, enduring PbSe QDs for optoelectronic applications.</p>","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"10 4","pages":"1806–1812 1806–1812"},"PeriodicalIF":19.3,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143814470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Revealing Local Diffusion Dynamics in Hybrid Solid Electrolytes
IF 19.3 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-17 DOI: 10.1021/acsenergylett.5c0021410.1021/acsenergylett.5c00214
Shengnan Zhang, Leon Felix Mueller, Laurence Macray, Marnix Wagemaker, Lars J. Bannenberg* and Swapna Ganapathy*, 
{"title":"Revealing Local Diffusion Dynamics in Hybrid Solid Electrolytes","authors":"Shengnan Zhang,&nbsp;Leon Felix Mueller,&nbsp;Laurence Macray,&nbsp;Marnix Wagemaker,&nbsp;Lars J. Bannenberg* and Swapna Ganapathy*,&nbsp;","doi":"10.1021/acsenergylett.5c0021410.1021/acsenergylett.5c00214","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00214https://doi.org/10.1021/acsenergylett.5c00214","url":null,"abstract":"<p >Hybrid solid electrolytes (HSEs) leverage the benefits of their organic and inorganic components, yet optimizing ion transport and component compatibility requires a deeper understanding of their intricate ion transport mechanisms. Here, macroscopic charge transport is correlated with local lithium (Li)-ion diffusivity in HSEs, using poly(ethylene oxide) (PEO) as matrix and Li<sub>6</sub>PS<sub>5</sub>Cl as filler. Solvent- and dry-processing methods were evaluated for their morphological impact on Li-ion transport. Through multiscale solid-state nuclear magnetic resonance analysis, we reveal that the filler enhances local Li-ion diffusivity within the slow polymer segmental dynamics. Phase transitions indicate inhibited crystallization in HSEs, with reduced Li-ion diffusion barriers attributed to enhanced segmental motion and conductive polymer conformations. Relaxometry measurements identify a mobile component unique to the hybrid system at low temperatures, indicating Li-ion transport along polymer–filler interfaces. Comparative analysis shows solvent-processed HSEs exhibit better morphological uniformity and enhanced compatibility with Li-metal anodes via an inorganic-rich solid electrolyte interphase.</p>","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"10 4","pages":"1762–1771 1762–1771"},"PeriodicalIF":19.3,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsenergylett.5c00214","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics
IF 19.3 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-17 DOI: 10.1021/acsenergylett.5c0026610.1021/acsenergylett.5c00266
Sesha Sai Behara,  and , Anton Van der Ven*, 
{"title":"The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics","authors":"Sesha Sai Behara,&nbsp; and ,&nbsp;Anton Van der Ven*,&nbsp;","doi":"10.1021/acsenergylett.5c0026610.1021/acsenergylett.5c00266","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00266https://doi.org/10.1021/acsenergylett.5c00266","url":null,"abstract":"<p >Anode-free solid-state Li batteries promise significant increases in energy densities compared to current commercial batteries that rely on liquid electrolytes. Major challenges persist in controlling morphological evolution during the plating and stripping of lithium metal at the anode current collector. Elemental additives that alloy with lithium have been found to modify the plating and stripping behavior of lithium. Many alloying elements form intermetallics with lithium and the mobility of Li through these intermetallics is believed to have an important effect on morphological evolution. This study shows that Li transport coefficients through intermetallics span a wide range in values, with the B32 LiAl intermetallic predicted to have a Li tracer diffusion coefficient as high as 10<sup>–6</sup> cm<sup>2</sup>/s at room temperature, which is 8 orders of magnitude larger than that of isostructural B32 LiZn. This work demonstrates the crucial role of vacancy concentration in controlling the mobility of Li atoms through intermetallics. While the migration barriers for Li-vacancy exchanges in both LiAl and LiZn are remarkably low, the superatomic conductivity in LiAl is shown to arise from the unique electronic structure of the B32 LiAl compound, which favors high concentrations of vacancies.</p>","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"10 4","pages":"1772–1778 1772–1778"},"PeriodicalIF":19.3,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsenergylett.5c00266","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143818919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine Learning Prediction of Organic–Inorganic Halide Perovskite Solar Cell Performance from Optical Properties
IF 22 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-17 DOI: 10.1021/acsenergylett.4c03592
Ruiqi Zhang, Brandon Motes, Shaun Tan, Yongli Lu, Meng-Chen Shih, Yilun Hao, Karen Yang, Shreyas Srinivasan, Moungi G. Bawendi, Vladimir Bulović
{"title":"Machine Learning Prediction of Organic–Inorganic Halide Perovskite Solar Cell Performance from Optical Properties","authors":"Ruiqi Zhang, Brandon Motes, Shaun Tan, Yongli Lu, Meng-Chen Shih, Yilun Hao, Karen Yang, Shreyas Srinivasan, Moungi G. Bawendi, Vladimir Bulović","doi":"10.1021/acsenergylett.4c03592","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c03592","url":null,"abstract":"Numerical toolsets have the potential to enable accelerated development of hybrid organic–inorganic halide perovskite (HOIP) solar cells. In the present study, we develop a machine learning (ML) approach that accurately predicts the current–voltage behavior of 3D/2D-structured (FAMA)Pb(IBr)<sub>3</sub>/OABr HOIP solar cells under AM1.5 illumination. Using measured responses from 368 devices, we train a neural network (NN) with three optical inputs of constituent HOIP films (transmission, spectrally resolved photoluminescence, and time-resolved photoluminescence) to predict the solar cell’s open-circuit voltage (Voc), short-circuit current (Jsc), and fill factors (FF). The model achieves 91%, 94%, and 89% accuracy for 95% of Voc, Jsc, and FF predictions, with coefficient of determination (R<sup>2</sup>) values of 0.47, 0.77, and 0.58, respectively. By linking ML predictions to extracted physical parameters from the measured HOIP films optical properties, we identify key factors influencing the prediction results. Furthermore, we develop separate ML-classification algorithms that identify degraded solar cells with &gt;90% accuracies using the same optical data. This work demonstrates an efficient, nondestructive approach for HOIP solar cell assessment that can assist in accelerating the next generation of perovskite solar cell developments.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"17 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143635388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics
IF 22 1区 材料科学
ACS Energy Letters Pub Date : 2025-03-17 DOI: 10.1021/acsenergylett.5c00266
Sesha Sai Behara, Anton Van der Ven
{"title":"The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics","authors":"Sesha Sai Behara, Anton Van der Ven","doi":"10.1021/acsenergylett.5c00266","DOIUrl":"https://doi.org/10.1021/acsenergylett.5c00266","url":null,"abstract":"Anode-free solid-state Li batteries promise significant increases in energy densities compared to current commercial batteries that rely on liquid electrolytes. Major challenges persist in controlling morphological evolution during the plating and stripping of lithium metal at the anode current collector. Elemental additives that alloy with lithium have been found to modify the plating and stripping behavior of lithium. Many alloying elements form intermetallics with lithium and the mobility of Li through these intermetallics is believed to have an important effect on morphological evolution. This study shows that Li transport coefficients through intermetallics span a wide range in values, with the B32 LiAl intermetallic predicted to have a Li tracer diffusion coefficient as high as 10<sup>–6</sup> cm<sup>2</sup>/s at room temperature, which is 8 orders of magnitude larger than that of isostructural B32 LiZn. This work demonstrates the crucial role of vacancy concentration in controlling the mobility of Li atoms through intermetallics. While the migration barriers for Li-vacancy exchanges in both LiAl and LiZn are remarkably low, the superatomic conductivity in LiAl is shown to arise from the unique electronic structure of the B32 LiAl compound, which favors high concentrations of vacancies.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"42 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143640138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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