Computational exploration of hydrogen storage potential in Mg2LiXH6 (X = Ti, V) hydrides via DFT and AIMD simulations.
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| Title: | Computational exploration of hydrogen storage potential in Mg |
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| Authors: | Iqbal MMA; Department of Chemistry, University of Okara Pakistan mmasif101@gmail.com., Kaleem M; Material Research Laboratory (MRL), International Islamic University H-10 Islamabad 44000 Pakistan mkaleemphy@gmail.com., Nasir A; Material Research Laboratory (MRL), International Islamic University H-10 Islamabad 44000 Pakistan mkaleemphy@gmail.com., Khan AN; Materials Modeling and Simulation Lab, Department of Physics, University of Science & Technology Bannu 28100 Khyber Pakhtunkhwa Pakistan., Abaidullah M; Department of Physics, University of Okara Pakistan. |
| Source: | RSC advances [RSC Adv] 2026 May 19; Vol. 16 (29), pp. 26896-26908. Date of Electronic Publication: 2026 May 19 (Print Publication: 2026). |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101581657 Publication Model: eCollection Cited Medium: Internet ISSN: 2046-2069 (Electronic) Linking ISSN: 20462069 NLM ISO Abbreviation: RSC Adv Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 2046-2069 |
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| DOI: | 10.1039/d6ra01881e |
