HyStor: an experimental database of hydrogen storage properties for various metal alloy classes

TitleHyStor: an experimental database of hydrogen storage properties for various metal alloy classes
Publication TypeJournal Article
Year of Publication2024
AuthorsWilson, N, Verma, A, Maharana, PRanjan, Sahoo, ABhusan, Joshi, K
JournalInternational Journal of Hydrogen Energy
Volume90
Pagination460-469
Date PublishedNOV
Type of ArticleArticle
ISSN0360-3199
KeywordsDatabases, machine learning, Metal hydrides, Solid-state hydrogen storage
Abstract

In this work, we introduce the HyStor database, consisting of 1282 metal alloys along with their maximum hydrogen storage capacity (H2wt%) at a given absorption temperature. The curated HydPark database consist of 831 entries. We sourced compositions from research articles and various patent documents, resulting in addition of 451 compositions to the HydPark database. The addition is reflected in the data across all existing classes of alloys. Further, low entropy alloys (LEA), medium entropy alloys (MEA) and high entropy alloys (HEA) have been newly included classes. This has broadened the scope of the database to encompass the latest materials of interest for hydrogen storage. HyStor contains representation of 54 elements, with a temperature range of 200-800 K, and H2wt% ranging from 0.1 to 7.19. We conducted thorough checks for duplicate entries, erroneous data, and conflicting compositions within the database to ensure data quality. Furthermore, we conducted multiple tests to identify potential outlier compositions. The data curation and updation reflects into slight improved error metrics of the HYST model, reducing the Mean Absolute Error (MAE) from 0.31 to 0.29 and increasing the R2 score from 0.77 to 0.79.

DOI10.1016/j.ijhydene.2024.09.390
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

7.2

Divison category: 
Physical and Materials Chemistry
Database: 
Web of Science (WoS)

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