ACS Materials Letters最新文献_第10页

Rational Third Component Choices Drive Enhanced Morphology and Efficiency in Ternary Blend Organic Solar Cells 合理选择第三组份可提高三元共混有机太阳能电池的形态和效率

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-03 DOI: 10.1021/acsenergylett.4c0221810.1021/acsenergylett.4c02218

Suraj Yadav, Manasi Pranav, Chandrasekhar Gangadharappa, Mathias Huss-Hansen, Matthias Schwartzkopf, Jakob Kjelstrup-Hansen, Matti Knaapila and Satish Patil*,

{"title":"Rational Third Component Choices Drive Enhanced Morphology and Efficiency in Ternary Blend Organic Solar Cells","authors":"Suraj Yadav, Manasi Pranav, Chandrasekhar Gangadharappa, Mathias Huss-Hansen, Matthias Schwartzkopf, Jakob Kjelstrup-Hansen, Matti Knaapila and Satish Patil*, ","doi":"10.1021/acsenergylett.4c0221810.1021/acsenergylett.4c02218","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02218https://doi.org/10.1021/acsenergylett.4c02218","url":null,"abstract":"The impetus to add a third component in ternary blend organic solar cells (TBSCs) maximizes the light-harvesting capability of the active layer. Beyond this, the third component can perform other useful functions, such as enhancing the morphology and charge transport, and assisting in resonance energy transfer. Currently, there are no established guidelines for selecting the third component in TBSCs to optimize the organic solar cell (OSC) performance. By varying the chromophore chain length of perylene diimide (PDI) molecules, we revealed its influence on the morphology of the thin film and the efficiency of PM6:Y6 OSCs. Detailed optical and electrical characterization and morphological studies revealed that molecular size and PDIs’ chromophore chain length are pivotal to improving the performance of OSCs. The PDI monomer acts as an additive to improve the morphology and light-harvesting capability of TBSCs. This study presents several significant findings, including the dual role of the third component, the influence of the chromophore chain length on morphology, and the dynamics of excited states.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5259–5267 5259–5267"},"PeriodicalIF":19.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Generative Design and Experimental Validation of Non-Fullerene Acceptors for Photovoltaics 光伏用非富勒烯受体的生成设计和实验验证

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-03 DOI: 10.1021/acsenergylett.4c0208610.1021/acsenergylett.4c02086

Jin Da Tan, Balamurugan Ramalingam*, Vijila Chellappan, Nipun Kumar Gupta, Laurent Dillard, Saif A. Khan, Casey Galvin and Kedar Hippalgaonkar*,

{"title":"Generative Design and Experimental Validation of Non-Fullerene Acceptors for Photovoltaics","authors":"Jin Da Tan, Balamurugan Ramalingam*, Vijila Chellappan, Nipun Kumar Gupta, Laurent Dillard, Saif A. Khan, Casey Galvin and Kedar Hippalgaonkar*, ","doi":"10.1021/acsenergylett.4c0208610.1021/acsenergylett.4c02086","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02086https://doi.org/10.1021/acsenergylett.4c02086","url":null,"abstract":"The utilization of non-fullerene acceptors (NFA) in organic photovoltaic (OPV) devices offers advantages over fullerene-based acceptors, including lower costs and improved light absorption. Despite advances in small molecule generative design, experimental validation frameworks are often lacking. This study introduces a comprehensive pipeline for generating, virtual screening, and synthesizing potential NFAs for high-efficiency OPVs, integrating generative and predictive ML models with expert knowledge. Iterative refinement ensured the synthetic feasibility of the generated molecules, using the diketopyrrolopyrrole (DPP) core motif to manually generate NFA candidates meeting stringent synthetic criteria. These candidates were virtually screened using a predictive ML model based on power conversion efficiency (PCE) calculations from the modified Scharber model (PCEMS). We successfully synthesized seven NFA candidates, each requiring three or fewer steps. Experimental HOMO and LUMO measurements yielded calculated PCEMS values from 6.7% to 11.8%. This study demonstrates an effective pipeline for discovering OPV NFA candidates by integrating generative and predictive ML models.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5240–5250 5240–5250"},"PeriodicalIF":19.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142436590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Correction to “Multicomponent Approach for Stable Methylammonium-Free Tin–Lead Perovskite Solar Cells” 对 "稳定的无甲铵锡铅包晶太阳能电池的多组分方法 "的更正

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-02 DOI: 10.1021/acsenergylett.4c0251410.1021/acsenergylett.4c02514

Silver-Hamill Turren-Cruz*, Jorge Pascual, Shuaifeng Hu, Jesus Sanchez-Diaz, Sergio Galve-Lahoz, Wentao Liu, Wolfram Hempel, Vladimir S. Chirvony, Juan P. Martinez-Pastor, Pablo P. Boix, Atsushi Wakamiya* and Iván Mora-Seró*,

引用次数: 0

A Black State from Reversible Copper Electrodeposition without Metal Additives 不含金属添加剂的可逆铜电沉积产生的黑色状态

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-02 DOI: 10.1021/acsenergylett.4c0197610.1021/acsenergylett.4c01976

Nutpaphat Jarulertwathana, Kyuwon Lee, Hyeseung Shin, Eui-Jung Ryu, In Soo Kim, Cheon Woo Moon and Jerome K. Hyun*,

{"title":"A Black State from Reversible Copper Electrodeposition without Metal Additives","authors":"Nutpaphat Jarulertwathana, Kyuwon Lee, Hyeseung Shin, Eui-Jung Ryu, In Soo Kim, Cheon Woo Moon and Jerome K. Hyun*, ","doi":"10.1021/acsenergylett.4c0197610.1021/acsenergylett.4c01976","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01976https://doi.org/10.1021/acsenergylett.4c01976","url":null,"abstract":"Metal electrodeposition and dissolution on a transparent electrode enable dynamic switching between the opaque and transparent states, respectively. To be used as dynamic windows, a fully black state must be achieved while maintaining reversibility. Cu is a top candidate that meets the latter criterion but fails the former, producing its characteristic orange tint. As a result, metal additives are often mixed with Cu ions but at the expense of some degree of reversibility. Here, a truly black state is achieved without metal additives by enhancing the dissipative interaction between light and Cu. A galvanic etching method is used to transform a flat ITO surface into an array of nanopillars, forming a gradually varying index across the ITO interface. This elongates the light absorption path length over all wavelengths once Cu is electrodeposited. The electrode is demonstrated in dynamically tunable devices including one that transitions between mirror-like and opaque states with a coloration efficiency of 20.3 cm2 C–1. These results highlight the potential of our strategy in light management devices, particularly for energy-conserving dynamic windows.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5207–5214 5207–5214"},"PeriodicalIF":19.3,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bridging Atomic and Macroscopic Perspectives on Heteroepitaxial Growth in Lithium Metal Anodes 锂金属阳极异位生长的原子和宏观视角之桥

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-02 DOI: 10.1021/acsenergylett.4c0240310.1021/acsenergylett.4c02403

Borong Li, Weicheng Zhang, Kang Yang, Long Li, Jing Luo, Qingqing Lin, Yichen Li, Zheyuan Liu*, Lingyun Li*, Yan Yu* and Chengkai Yang*,

{"title":"Bridging Atomic and Macroscopic Perspectives on Heteroepitaxial Growth in Lithium Metal Anodes","authors":"Borong Li, Weicheng Zhang, Kang Yang, Long Li, Jing Luo, Qingqing Lin, Yichen Li, Zheyuan Liu*, Lingyun Li*, Yan Yu* and Chengkai Yang*, ","doi":"10.1021/acsenergylett.4c0240310.1021/acsenergylett.4c02403","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02403https://doi.org/10.1021/acsenergylett.4c02403","url":null,"abstract":"Studying lithium growth on diverse substrates with unique crystal structures is crucial for linking atomic and macroscopic views, which ensures a long cycle life and safety in lithium metal batteries. This work provides explanations on (1) the stages of nucleation, which are influenced by the adsorption-relaxation mechanism, (2) acquiring evolved traits of dendritic morphology from the embryo, and (3) the integration of the atomic and macroscopic perspectives through a variety of techniques at different scales to validate dendrite evolution. The heteroepitaxial growth process of the embryos is divided into two principal stages: nucleation and growth. The adsorption-type substrates exhibit characteristics of relatively lower average interaction energy and specific stress energy during the nucleation stage. At the growth stage, the adsorption-type substrate tends to facilitate multilayer growth. This work provides potential to design and material selection for lithium metal batteries, contributing to the development of safer, more efficient, and longer-lasting energy storage systems.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5215–5224 5215–5224"},"PeriodicalIF":19.3,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effects of Solvation and Temperature on the Energetics of BiVO4 Surfaces with Varying Composition for Solar Water Splitting 溶解度和温度对不同成分的 BiVO4 表面太阳能水分离能量学的影响

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-01 DOI: 10.1021/acsenergylett.4c0191310.1021/acsenergylett.4c01913

Giacomo Melani, Wennie Wang, Francois Gygi, Kyoung-Shin Choi and Giulia Galli*,

{"title":"Effects of Solvation and Temperature on the Energetics of BiVO4 Surfaces with Varying Composition for Solar Water Splitting","authors":"Giacomo Melani, Wennie Wang, Francois Gygi, Kyoung-Shin Choi and Giulia Galli*, ","doi":"10.1021/acsenergylett.4c0191310.1021/acsenergylett.4c01913","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01913https://doi.org/10.1021/acsenergylett.4c01913","url":null,"abstract":"Photoelectrodes used in solar water splitting must operate in aqueous media. However, computational studies that explicitly compare the dry and solvated photoelectrode energetics at finite temperature and the impact of the photoelectrode surface composition and surface defects are lacking. Here, we used first-principles molecular dynamics simulations to investigate the solvation and thermal effects on the energetics of the BiVO4(010) surface with different surface compositions and oxygen vacancies, a common defect responsible for the intrinsic n-type behavior of BiVO4. We find that the alignment of the photoelectrode electronic bands with the water redox potentials is modified in the presence of water and that solvation effects and thermal fluctuations are more prominent for Bi-rich surfaces, especially so in the presence of oxygen vacancies. Our results provide a detailed understanding of the behavior of BiVO4 photoanodes operating in aqueous media, as a function of surface composition, and are directly comparable with experiments.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5166–5171 5166–5171"},"PeriodicalIF":19.3,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Role of Hydrogen Bonding in Aqueous Batteries: Correlating Molecular-Scale Interactions with Battery Performance 氢键在水性电池中的作用：将分子尺度的相互作用与电池性能联系起来

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-01 DOI: 10.1021/acsenergylett.4c0228110.1021/acsenergylett.4c02281

Zhengnan Tian, Wenyi Guo, Zixiong Shi, Zainab Alhubail, Yizhou Wang, Dana Alsulaiman, Yunpei Zhu, Jun Ming, Jingyu Sun* and Husam N. Alshareef*,

{"title":"The Role of Hydrogen Bonding in Aqueous Batteries: Correlating Molecular-Scale Interactions with Battery Performance","authors":"Zhengnan Tian, Wenyi Guo, Zixiong Shi, Zainab Alhubail, Yizhou Wang, Dana Alsulaiman, Yunpei Zhu, Jun Ming, Jingyu Sun* and Husam N. Alshareef*, ","doi":"10.1021/acsenergylett.4c0228110.1021/acsenergylett.4c02281","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02281https://doi.org/10.1021/acsenergylett.4c02281","url":null,"abstract":"The pursuit of reliable and sustainable energy storage solutions has spurred significant research activity in the development of aqueous batteries (ABs). However, the energy density and cycling stability of ABs have remained stubbornly limited, leading to a plethora of host material designs and electrolyte modulation strategies. As an intermolecular interaction force, the hydrogen bond (HB) presents a promising avenue for optimizing the performance of electrode materials and electrolytes. However, HB chemistry in ABs remains poorly understood to date. Therefore, this Review aims to provide an updated summary of the current understanding of HB chemistry (mechanism, type, strength), the effect of HB on electrolytes (conductivity, freezing point, decomposition potential, viscosity, and dissolubility), and host materials’ performance (stacking, insulation, ionic conductivity). In addition, we construct a vivid illustration of the structure–activity relationship between molecular-scale HB interactions and macroscale battery performance. A series of representative case studies in which HBs are used to optimize electrochemical performance are discussed. Finally, advanced methodologies for characterization of HBs are described in detail. This Review provides new insights into the relationship between HB chemistry and battery performance. It also provides guideline for building high-energy and high-rate ABs taking advantage of HB chemistry.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5179–5205 5179–5205"},"PeriodicalIF":19.3,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142430635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Importance of High Valence Element Nb in Ni-Rich Layered Cathodes for High-Voltage Lithium-Metal Batteries 富镍层状阴极中的高价元铌对高压锂金属电池的重要性

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-01 DOI: 10.1021/acsenergylett.4c0123010.1021/acsenergylett.4c01230

Fengxia Xin, Isik Su Buyuker, Hui Zhou, Fenghua Guo, Anshika Goel, Jianming Bai, Feng Wang and M. Stanley Whittingham*,

{"title":"Importance of High Valence Element Nb in Ni-Rich Layered Cathodes for High-Voltage Lithium-Metal Batteries","authors":"Fengxia Xin, Isik Su Buyuker, Hui Zhou, Fenghua Guo, Anshika Goel, Jianming Bai, Feng Wang and M. Stanley Whittingham*, ","doi":"10.1021/acsenergylett.4c0123010.1021/acsenergylett.4c01230","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01230https://doi.org/10.1021/acsenergylett.4c01230","url":null,"abstract":"Ni-rich layered cathode materials have attracted extensive attention due to their higher energy density and technological maturity in commercialization. As the nickel content is raised, especially surpassing 80%, the increased energy density comes with the tradeoff of diminished thermal stability and increased electrochemical structural instability of the cathode. Compared with Co, Al, B, and Ta, the introduction of high valence element Nb significantly improved the electrochemical cycling, delivering a capacity of 202 mAh/g, corresponding to a capacity retention of 92% after 200 cycles tested at 45 °C. The ex situ differential scanning calorimetry and in situ isothermal microcalorimetry demonstrate that the Nb-modified cathode has the potential to enhance the safety of ultrahigh nickel (Ni) NMCs and displays remarkable resilience to extensive cycling by inhibiting high-temperature decomposition reactions and exhibiting a lower heat flow during electrochemical cycling.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5172–5178 5172–5178"},"PeriodicalIF":19.3,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High Energy Sulfide-Based All-Solid-State Lithium Batteries Enabled by Single-Crystal Li-Rich Cathodes 利用单晶富锂阴极实现高能硫化物全固态锂电池

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-09-30 DOI: 10.1021/acsenergylett.4c0176410.1021/acsenergylett.4c01764

Yuqi Wu, Cheng Li, Xuefan Zheng, Wengao Zhao*, Huanran Wang, Jiabao Gu, Yong Cheng, Yipeng Lin, Yu Su, Fucheng Ren, Dan Feng, Jun Liu, Jinxue Peng, Zhongwei Lv, Zhenyu Wang, Torsten Brezesinski, Zhengliang Gong* and Yong Yang*,

{"title":"High Energy Sulfide-Based All-Solid-State Lithium Batteries Enabled by Single-Crystal Li-Rich Cathodes","authors":"Yuqi Wu, Cheng Li, Xuefan Zheng, Wengao Zhao*, Huanran Wang, Jiabao Gu, Yong Cheng, Yipeng Lin, Yu Su, Fucheng Ren, Dan Feng, Jun Liu, Jinxue Peng, Zhongwei Lv, Zhenyu Wang, Torsten Brezesinski, Zhengliang Gong* and Yong Yang*, ","doi":"10.1021/acsenergylett.4c0176410.1021/acsenergylett.4c01764","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01764https://doi.org/10.1021/acsenergylett.4c01764","url":null,"abstract":"High-capacity Li-rich Mn-based oxides (LRMOs) show great potential for enhancing the energy density of all-solid-state lithium batteries (ASSLBs). However, the intrinsically low electronic/ionic conductivity of LRMOs and bulk structural degradation lead to an inferior electrochemical performance. Herein, a single-crystal Li1.2Ni0.13Mn0.54Co0.13O2 (SC- LRMO) cathode is developed to address the challenges associated with charge-transport limitations and mechanical degradation of conventional polycrystalline (PC)-LRMO in ASSLBs. The results indicate that composite cathodes using small SC-LRMO achieve excellent electrochemical performance. Specifically, SC-LRMO not only delivers a high specific capacity of 316 mAh g–1 at 0.05C but also exhibits a capacity retention of 86% after 300 cycles at 1C, outperforming the PC-LRMO (243 mAh g–1, 84%). Comprehensive characterization reveals that the small single-crystal microstructure of SC-LRMO facilitates electrochemical reaction and mitigates detrimental mechanical degradation. Overall, this work expedites the practical application of LRMO cathodes in high-energy-density ASSLBs through dedicated morphology design.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5156–5165 5156–5165"},"PeriodicalIF":19.3,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Size-Dependent Effects of Ru Nanoparticles on Li-CO2 Batteries Ru 纳米粒子对锂-CO2 电池的尺寸效应

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-09-30 DOI: 10.1021/acsenergylett.4c0156710.1021/acsenergylett.4c01567

Jinshuo Zou, Gemeng Liang, Jodie A. Yuwono, Fangli Zhang, Yameng Fan, Shilin Zhang, Bernt Johannessen, Liang Sun and Zaiping Guo*,

{"title":"Size-Dependent Effects of Ru Nanoparticles on Li-CO2 Batteries","authors":"Jinshuo Zou, Gemeng Liang, Jodie A. Yuwono, Fangli Zhang, Yameng Fan, Shilin Zhang, Bernt Johannessen, Liang Sun and Zaiping Guo*, ","doi":"10.1021/acsenergylett.4c0156710.1021/acsenergylett.4c01567","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01567https://doi.org/10.1021/acsenergylett.4c01567","url":null,"abstract":"Li-CO2 batteries capture and convert CO2 into a valuable energy storage medium, promoting both energy storage and environmental sustainability. While Ru-based catalysts exhibit exceptional catalytic activity and are widely deployed in Li-CO2 batteries, the Ru nanoparticle size effects on electrolysis remains underexplored. Herein, we synthesized Ru nanoparticles ranging from ∼1.1 to ∼7.4 nm to unveil the size-dependent activity in Li-CO2 batteries. As Ru size decreases, the d-band center of Ru is identified upshifted toward the Fermi level, and the Gibbs energy change for the rate-determining step during charge is lowered. The binding energy of C═O and Li–O is notably reduced, confirming that a strong interaction between small Ru and Li2CO3 can destabilize Li2CO3 and facilitate its decomposition. Furthermore, small Ru nanoparticles can alleviate Li2CO3 accumulation on cathodes. This work provides insight and guidance for catalyst design and optimization in Li-CO2 batteries, which can be extended to other battery systems involving solid product formation and decomposition.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5145–5155 5145–5155"},"PeriodicalIF":19.3,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142408477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0