{"title":"从材料到电池的多尺度锂电池建模。","authors":"Guanchen Li, Charles W Monroe","doi":"10.1146/annurev-chembioeng-012120-083016","DOIUrl":null,"url":null,"abstract":"<p><p>New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.</p>","PeriodicalId":8234,"journal":{"name":"Annual review of chemical and biomolecular engineering","volume":"11 ","pages":"277-310"},"PeriodicalIF":7.6000,"publicationDate":"2020-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1146/annurev-chembioeng-012120-083016","citationCount":"26","resultStr":"{\"title\":\"Multiscale Lithium-Battery Modeling from Materials to Cells.\",\"authors\":\"Guanchen Li, Charles W Monroe\",\"doi\":\"10.1146/annurev-chembioeng-012120-083016\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.</p>\",\"PeriodicalId\":8234,\"journal\":{\"name\":\"Annual review of chemical and biomolecular engineering\",\"volume\":\"11 \",\"pages\":\"277-310\"},\"PeriodicalIF\":7.6000,\"publicationDate\":\"2020-06-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1146/annurev-chembioeng-012120-083016\",\"citationCount\":\"26\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Annual review of chemical and biomolecular engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1146/annurev-chembioeng-012120-083016\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2020/3/25 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Annual review of chemical and biomolecular engineering","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1146/annurev-chembioeng-012120-083016","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2020/3/25 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Multiscale Lithium-Battery Modeling from Materials to Cells.
New experimental technology and theoretical approaches have advanced battery research across length scales ranging from the molecular to the macroscopic. Direct observations of nanoscale phenomena and atomistic simulations have enhanced the understanding of the fundamental electrochemical processes that occur in battery materials. This vast and ever-growing pool of microscopic data brings with it the challenge of isolating crucial performance-decisive physical parameters, an effort that often requires the consideration of intricate interactions across very different length scales and timescales. Effective physics-based battery modeling emphasizes the cross-scale perspective, with the aim of showing how nanoscale physicochemical phenomena affect device performance. This review surveys the methods researchers have used to bridge the gap between the nanoscale and the macroscale. We highlight the modeling of properties or phenomena that have direct and considerable impact on battery performance metrics, such as open-circuit voltage and charge/discharge overpotentials. Particular emphasis is given to thermodynamically rigorous multiphysics models that incorporate coupling between materials' mechanical and electrochemical states.
期刊介绍:
The Annual Review of Chemical and Biomolecular Engineering aims to provide a perspective on the broad field of chemical (and related) engineering. The journal draws from disciplines as diverse as biology, physics, and engineering, with development of chemical products and processes as the unifying theme.