Article ; Online: Enhanced hydrogen storage of alkaline earth metal-decorated B
2024 Volume 30, Issue 2, Page(s) 55
Abstract: ... with hydrogen molecules. In this paper, boron-based B: Methods: Density functional theory (DFT) approach ...
Abstract | Context: Boron-based nanostructures hold significant promise for revolutionizing hydrogen storage technologies due to their exceptional properties and potential in efficiently accommodating and interacting with hydrogen molecules. In this paper, boron-based B Methods: Density functional theory (DFT) approach at ωB97XD/6-311++G(d,p) level of theory is employed to investigate the possibility of storing H |
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Language | English |
Publishing date | 2024-01-31 |
Publishing country | Germany |
Document type | Journal Article |
ZDB-ID | 1284729-X |
ISSN | 0948-5023 ; 1610-2940 |
ISSN (online) | 0948-5023 |
ISSN | 1610-2940 |
DOI | 10.1007/s00894-024-05847-x |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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