Performance and resource considerations of Li-ion battery electrode materials

Abstract

In this work we present a data-driven approach to the rational design of battery materials based on both resource and performance considerations. A large database of Li-ion battery material has been created by abstracting information from over 200 publications. The database consists of over 16,000 data points from various classes of materials. In addition to reference information, key parameters and variables determining the performance of batteries were collected. This work also includes resource considerations such as crustal abundance and the Herfindahl-Hirschman index, a commonly used measure of market concentration. The data is organized into a free 10 web-based resource where battery researchers can employ a unique visualization method to plot database parameters against one another. This contribution is concerned with cathode and anode electrode materials. Cathode materials are mostly based on an intercalation mechanism, while anode materials are primarily based on conversion and alloying. Results indicate that cathode materials follow a common trend consistent with their crystal structure. On the other hand anode materials display similar behavior, based on elemental composition. Of particular interest is that high energy cathodes are scarcer than high power materials and high performance anode 15 materials are less available. More sustainable materials for both electrodes based on alternative compositions are identified.

Nanostructured Anode Materials for Lithium Ion Batteries: Progress, Challenge and Perspective

“…By considering the first discharge capacity as key parameter, materials based on Mn, Ni, Cu, and Zn have lowest market concentration with better capacity (1500 mAh g -1 ). [107] But this capacity is still much lower than the Si-C composite based anode materials; however, initial poor CE and capacity retention is an issue with Si-C anodes. [73,108] The Sb is another option but transport risk associated with it is a big drawback.…”

Perspective: Interactive material property databases through aggregation of literature data

“…Researchers have physically begun to mine data from the literature in order to better understand materials for thermoelectrics, 7,35,36 lithium and lithium-ion batteries, 37 catalysis, 21,38 kinetics, 39 and more. The process, shown in Figure 1 for creating interactive databases, involves gathering appropriate publications, identifying key data in the publications, and then employing a combination of graduate students and/or post-doctoral fellows, undergraduate interns, and sometimes even high school students to work on data extraction.…”

“…In our recent work, we have encoded the plots to allow users to hover over specific data points to expose additional information regarding property measurement and metadata (i.e., author, year, synthesis route, processing conditions, comments, temperature, etc.) 35,37 Additionally, if a user clicks on a data point, it will open a new tab and redirect the user to the primary literature source using the document DOI. Finally, users are given the choice for exporting the plots in either raster or vector formats.…”

Balancing Mechanical Properties and Sustainability in the Search for Superhard Materials

“…Combining these distinct foci will allow researchers to predict complex mechanical response like hardness while targeting only the ideal composition space. An informaticsbased approach has already been successfully employed in the development of other functional materials like thermoelectrics and batteries [20,24,25]. Assembling a database for mechanical materials with an associated interactive website allows a high-information density visualization method to identify correlations between structural and compositional characteristics and the mechanical properties, ultimately directing synthesis.…”