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Chin. Phys. B, 2020, Vol. 29(2): 028801    DOI: 10.1088/1674-1056/ab65ba
Special Issue: TOPICAL REVIEW — Advanced calculation & characterization of energy storage materials & devices at multiple scale
TOPICAL REVIEW—Advanced calculation & characterization of energy storage materials & devices at multiple scale Prev   Next  

Advanced characterization and calculation methods for rechargeable battery materials in multiple scales

Xin-Yan Li(李欣岩)1,2, Su-Ting Weng(翁素婷)1,2, Lin Gu(谷林)1,2,3
1 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China;
3 Songshan Lake Materials Laboratory, Dongguan 523808, China
Abstract  The structure-activity relationship of functional materials is an everlasting and desirable research question for material science researchers, where characterization and calculation tools are the keys to deciphering this intricate relationship. Here, we choose rechargeable battery materials as an example and introduce the most representative advanced characterization and calculation methods in four different scales: real space, energy, momentum space, and time. Current research methods to study battery material structure, energy level transition, dispersion relations of phonons and electrons, and time-resolved evolution are reviewed. From different views, various expression forms of structure and electronic structure are presented to understand the reaction processes and electrochemical mechanisms comprehensively in battery systems. According to the summary of the present battery research, the challenges and perspectives of advanced characterization and calculation techniques for the field of rechargeable batteries are further discussed.
Keywords:  rechargeable batteries      advanced characterization and calculation      multiple scales  
Received:  01 November 2019      Revised:  02 December 2019      Accepted manuscript online: 
PACS:  88.80.ff (Batteries)  
  82.45.Fk (Electrodes)  
  68.37.Ma (Scanning transmission electron microscopy (STEM))  
  61.50.Ah (Theory of crystal structure, crystal symmetry; calculations and modeling)  
Corresponding Authors:  Lin Gu     E-mail:

Cite this article: 

Xin-Yan Li(李欣岩), Su-Ting Weng(翁素婷), Lin Gu(谷林) Advanced characterization and calculation methods for rechargeable battery materials in multiple scales 2020 Chin. Phys. B 29 028801

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