电池材料数据库的发展与应用  

Development and application of battery materials database

作　　者：吴思远 王宇琦 肖睿娟[1,2] 陈立泉 Wu Si-Yuan;Wang Yu-Qi;Xiao Rui-Juan;Chen Li-Quan(Key Laboratory For Renewable Energy,Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;University of Chinese Academy of Sciences,Beijing 100049,China)

机构地区：[1]中国科学院物理研究所,清洁能源实验室,北京100190 [2]中国科学院大学,北京100049

出　　处：《物理学报》2020年第22期3-10,共8页Acta Physica Sinica

基　　金：国家重点研发计划(批准号:2017YFB0701600);国家自然科学基金(批准号:51772321)资助的课题。

摘　　要：基于自动化技术和计算机技术的高通量方法可快速提供数以万计的科研数据,对如何科学、高效的管理科研数据提出了新的挑战.可充放的二次电池作为一种清洁高效的能源存储器件,是电动汽车发展的关键,也是风/光电储能的首选.电池器件性能的提升与电池新材料的研发密切相关,电池材料数据库的发展可在电池材料研发中引入基于大数据的新兴方法,加速电池材料的开发.本文从电池材料数据的获取、通用型及特定性质的电池材料数据库构建、大数据方法对电池材料研发的促进和发展电池材料数据库所面临的挑战等方面对电池材料数据库的发展和应用进行了介绍.High-throughput methods based on automation technology and computer technology can quickly provide tens of thousands of scientific research data,which poses a new challenge to the scientific and efficient management of scientific data.Rechargeable secondary batteries are the keys to the development of electric vehicles and the first choice of wind/photoelectric energy storage.The discovery of new battery materials plays an important role in improving the performance of the secondary batteries.New methods based on big date can be introduced into the screening and design of battery materials to accelerate the development of secondary batteries.This work introduces the development and application of battery material database from the aspects of data acquisition,construction of general and specific battery material database,and the challenges faced by the battery material database.

关 键 词：电池材料 高通量计算 数据库 材料基因 

分 类 号：TP311.13[自动化与计算机技术—计算机软件与理论] TM912[自动化与计算机技术—计算机科学与技术]