ACS Materials Letters最新文献_第8页

Key Aspects in Designing High-Throughput Workflows in Electrocatalysis Research: A Case Study on IrCo Mixed-Metal Oxides. 电催化研究中设计高通量工作流程的关键方面：钴铁混合金属氧化物案例研究》。

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2024-10-15 eCollection Date: 2024-11-04 DOI: 10.1021/acsmaterialslett.4c01372

Joanna M Przybysz, Ken J Jenewein, Mária Minichová, Tomáš Hrbek, Thomas Böhm, Tatiana Priamushko, Serhiy Cherevko

引用次数: 0

Chemomechanical Pairing of Alloy Anodes and Solid-State Electrolytes 合金阳极与固态电解质的化学机械配对

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-14 DOI: 10.1021/acsenergylett.4c0198310.1021/acsenergylett.4c01983

Shiwei Chen, Qingbo Cao, Bin Tang, Xinyu Yu, Zhen Zhou, Shou-Hang Bo* and Yunlong Guo*,

{"title":"Chemomechanical Pairing of Alloy Anodes and Solid-State Electrolytes","authors":"Shiwei Chen, Qingbo Cao, Bin Tang, Xinyu Yu, Zhen Zhou, Shou-Hang Bo* and Yunlong Guo*, ","doi":"10.1021/acsenergylett.4c0198310.1021/acsenergylett.4c01983","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01983https://doi.org/10.1021/acsenergylett.4c01983","url":null,"abstract":"Alloy anodes present promising alternatives to alkali metals in solid-state batteries but still face morphological instability upon cycling. Unlike conventional batteries using liquid electrolytes, interfacial evolution between solid-state electrolytes and alloy anodes is determined by interfacial electrochemistry and mechanics. Here, we adapt a classical chemomechanical model for Li metal to apply to alloy anodes. This allows generalizing a principle, namely, the hard and soft electrolytes and alloy anodes pairing principle, to guide improving morphological stability. Specifically, “hard” (high-shear-modulus) ceramic electrolytes should be paired with “harder” alloys, while “soft” (low-shear-modulus) polymer electrolytes favor “softer” alloys. We examine the chemomechanical properties of several Li–M alloys (M = Al, Mg, In, Sn, and Sb). Consistent with the principle, the “harder” Li–Sn anode exhibits a flattened morphology with the “hard” Li6PS5Cl electrolyte after cycling. Conversely, the “softer” Li–In anode evolves extremely rough, indicating Li–In dendrite formation. Our work underscores the significance of tuning alloy anode mechanical properties, incorporating well-established rules in traditional metallurgy.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5373–5382 5373–5382"},"PeriodicalIF":19.3,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608395","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

Consequences of Annealing on Metal–Insulator–Semiconductor Water Splitting Photoelectrocatalysts 退火对金属-绝缘体-半导体水分离光电催化剂的影响

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-14 DOI: 10.1021/acsenergylett.4c0233710.1021/acsenergylett.4c02337

John Hemmerling, Aarti Mathur and Suljo Linic*,

{"title":"Consequences of Annealing on Metal–Insulator–Semiconductor Water Splitting Photoelectrocatalysts","authors":"John Hemmerling, Aarti Mathur and Suljo Linic*, ","doi":"10.1021/acsenergylett.4c0233710.1021/acsenergylett.4c02337","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02337https://doi.org/10.1021/acsenergylett.4c02337","url":null,"abstract":"Metal–insulator–semiconductor (MIS) systems, combining light-harvesting semiconductors with electrocatalytic metals, are promising photoelectrocatalysts for efficient and stable photoelectrochemical water splitting. Despite considerable advancements, MIS systems fall significantly below the theoretical photovoltage limits. Important hurdles are the (1) presence of interfacial defects that serve as charge recombination centers and (2) insufficient charge carrier selectivity of the insulators. In this study, we investigate thermal annealing to overcome these obstacles. The impact of annealing is demonstrated by comparing the oxygen evolution reaction (OER) performance of two MIS systems that employ common insulators (Al2O3 vs HfO2) in Ir/Si photoelectrocatalysts. Experimental and modeling results reveal an elaborate interplay between underlying mechanisms at different annealing conditions. We demonstrate how to quantify these mechanisms, showing that annealing can significantly improve performance by passivating interfacial defects but can also impair the insulators’ charge tunneling characteristics. Insights from this study offer direction toward approaching the maximum photovoltage in MIS photoelectrocatalysts.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5383–5390 5383–5390"},"PeriodicalIF":19.3,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608405","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

Emerging All-Solid-State Lithium–Sulfur Batteries: Holy Grails for Future Secondary Batteries 新兴全固态锂硫电池：未来二次电池的圣杯

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-11 DOI: 10.1021/acsenergylett.4c0256310.1021/acsenergylett.4c02563

Yang-Kook Sun*,

引用次数: 0

Chemical Roadmap toward Stable Electrolyte–Electrode Interfaces in All-Solid-State Batteries 实现全固态电池中稳定电解质-电极界面的化学路线图

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-11 DOI: 10.1021/acsenergylett.4c0161810.1021/acsenergylett.4c01618

Chuhong Wang, Siwen Wang and Chen Ling*,

{"title":"Chemical Roadmap toward Stable Electrolyte–Electrode Interfaces in All-Solid-State Batteries","authors":"Chuhong Wang, Siwen Wang and Chen Ling*, ","doi":"10.1021/acsenergylett.4c0161810.1021/acsenergylett.4c01618","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01618https://doi.org/10.1021/acsenergylett.4c01618","url":null,"abstract":"All-solid-state batteries (ASSBs) hold significant promise for enhanced safety, energy density, and power density compared to conventional lithium-ion batteries. However, their development is impeded by the growth of resistance and diminished cell performance due to the interfacial reactivity between the electrodes and solid-state electrolytes. Comprehensive knowledge of interface reactions and effective mitigation strategies are essential to unlock the potential of ASSBs. Herein, we introduce the concept of a stability network to encode chemical and electrochemical reactions among lithium and non-lithium compounds within a comprehensive and complex network structure. Through analyzing the topological structure of the stability network, we reveal an organized and chemically instructive pattern of two-phase reactions and equilibria under different electrochemical conditions. This understanding of intrinsic patterns in relation to compositional, chemical, and electrochemical variables offers a set of principles for the experimental design and engineering of interfaces, serving as a chemical roadmap for achieving stable electrolyte–electrode interfaces in ASSBs.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5349–5359 5349–5359"},"PeriodicalIF":19.3,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608547","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

LiF in Inverted Perovskite Solar Cells: Dipole or Doping? 反相包晶石太阳能电池中的 LiF：偶极还是掺杂？

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-11 DOI: 10.1021/acsenergylett.4c0200010.1021/acsenergylett.4c02000

Seung-Gu Choi, Sung-Kwang Jung, Joo-Hong Lee, Jae-Hwan Kim, Wenting Zheng and Jin-Wook Lee*,

引用次数: 0

Influence of Surfaces on Ion Transport and Stability in Antiperovskite Solid Electrolytes at the Atomic Scale. 表面在原子尺度上对反钝化固体电解质中离子传输和稳定性的影响

IF 9.6 1区化学

ACS Materials Letters Pub Date : 2024-10-10 eCollection Date: 2024-11-04 DOI: 10.1021/acsmaterialslett.4c01777

Ana C C Dutra, James A Quirk, Ying Zhou, James A Dawson

{"title":"Influence of Surfaces on Ion Transport and Stability in Antiperovskite Solid Electrolytes at the Atomic Scale.","authors":"Ana C C Dutra, James A Quirk, Ying Zhou, James A Dawson","doi":"10.1021/acsmaterialslett.4c01777","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c01777","url":null,"abstract":"Antiperovskites are generating considerable interest as potential solid electrolyte materials for solid-state batteries because of their promising ionic conductivity, wide electrochemical windows, stability, chemical diversity and tunability, and low cost. Despite this, there is a surprising lack of a systematic study of antiperovskite surfaces and their influence on the performance of these materials in energy storage applications. This is rectified here by providing a comprehensive density functional theory investigation of the surfaces of M3OX (M = Li or Na; X = Cl or Br) antiperovskites. Specifically, we focus on the stability, electronic structure, defect chemistry, and ion transport properties of stable antiperovskite surfaces and how these contribute to the overall performance and suitability of these materials as solid electrolytes. The findings presented here provide critical insights for the design of antiperovskite surfaces that are both stable and promote ion transport in solid-state batteries.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"6 11","pages":"5039-5047"},"PeriodicalIF":9.6,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11539102/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Polaron-Based Electronic Conduction in Mixed Ionic-Electronic Conducting Lithium Garnets 离子电子混合导电锂石榴石中基于极子的电子传导

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-10 DOI: 10.1021/acsenergylett.4c0206010.1021/acsenergylett.4c02060

Charles E. Schwarz, Ramanuja Srinivasan Saravanan, Nina M. Borodin, Yunsheng Liu, Eric D. Wachsman and Yifei Mo*,

{"title":"Polaron-Based Electronic Conduction in Mixed Ionic-Electronic Conducting Lithium Garnets","authors":"Charles E. Schwarz, Ramanuja Srinivasan Saravanan, Nina M. Borodin, Yunsheng Liu, Eric D. Wachsman and Yifei Mo*, ","doi":"10.1021/acsenergylett.4c0206010.1021/acsenergylett.4c02060","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02060https://doi.org/10.1021/acsenergylett.4c02060","url":null,"abstract":"Recent research has demonstrated that doped lithium garnet compositions with mixed ionic–electronic conducting (MIEC) properties can significantly enhance the performance of solid-state batteries with lithium metal anodes. However, the mechanisms that enable electronic conduction in these garnets are not well understood. In this study, we conduct first-principles calculations to investigate the polaron-based mechanism of electronic conduction in these MIEC garnets. We model polaron trapping on multivalent cation dopants in the lithium garnet structure and estimate the energy barriers for site-to-site polaron migration. By analyzing defect formation energies and cation charge transitions, we elucidate why certain cations and cation combinations greatly enhance the electronic conductivity in lithium garnets. Our computations lead to suggestions for new cation dopants and new strategies to further improve MIEC garnets in high-performance solid-state batteries. The study can serve as a general framework to guide the further development of novel MIEC materials for energy technologies.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5334–5340 5334–5340"},"PeriodicalIF":19.3,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608030","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

Quantifying the Effect of Interfacial Dipoles on the Energy Level Alignment of Metal-Halide Perovskites 量化界面偶极子对金属卤化物过氧化物能级排列的影响

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-10 DOI: 10.1021/acsenergylett.4c0187610.1021/acsenergylett.4c01876

Luca Gregori, Daniele Meggiolaro and Filippo De Angelis*,

引用次数: 0

Li+ Conduction of Soft-Base Anion-Immobilized Covalent Organic Frameworks for All-Solid-State Lithium–Metal Batteries 用于全固态锂金属电池的软基阴离子固定共价有机框架的 Li+ 传导能力

IF 19.3 1区化学

ACS Materials Letters Pub Date : 2024-10-10 DOI: 10.1021/acsenergylett.4c0194110.1021/acsenergylett.4c01941

Rak Hyeon Choi, Jungjeong So, Younghun Kim, Dongwhan Lee* and Hye Ryung Byon*,

{"title":"Li+ Conduction of Soft-Base Anion-Immobilized Covalent Organic Frameworks for All-Solid-State Lithium–Metal Batteries","authors":"Rak Hyeon Choi, Jungjeong So, Younghun Kim, Dongwhan Lee* and Hye Ryung Byon*, ","doi":"10.1021/acsenergylett.4c0194110.1021/acsenergylett.4c01941","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01941https://doi.org/10.1021/acsenergylett.4c01941","url":null,"abstract":"Organic solid-state electrolytes (SSEs) offer improved safety and flexibility, but they face challenges with low ionic conductivity at room temperature. Covalent organic frameworks (COFs) present a promising solution by preventing segmental motion and facilitating Li+ ion transfer through nanoporous channels with regularly aligned anionic groups. In particular, dissociating Li+ ions from these immobilized anionic groups is crucial for increasing Li+ ion conductivity. However, the design of COFs with electron-delocalized and soft bases, such as fluorinated sulfonimides anionic groups, for easier Li+ dissociation has been hindered by the challenging synthesis of these building blocks. Here, we successfully synthesized sulfonyl(trifluoromethanesulfonyl)imide (TFSI–)-functionalized COFs and demonstrated a remarkable Li+ ion conductivity of 7.65 × 10–5 S cm–1 at 25 °C, which surpasses all known organic SSEs. This single Li+ ion conductor achieved over 200 times cyclability in Li and LiFePO4 cells, representing a substantial step toward developing better organic SSEs.","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5341–5348 5341–5348"},"PeriodicalIF":19.3,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142608031","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