⌘+K

Pulse Explore Communities Researchers Journals

Home Communities Explore

January 1, 2026Materials AdvancesOpen Access

Exploring structural, electronic, mechanical, and hydrogen storage properties of Mg ₃ ZH ₈ (Z = Fe, Co): a density functional theory study

Md. Hasan Mia MI Hasan A. Arunkumar S. AlFaify

View Full Paper

Ask AI

Bookmark

Share

Key Points

The aim is to investigate the properties of Mg 3 ZH 8 with various metal substitutions for hydrogen storage applications.
Density functional theory used to analyze structural, electronic, and mechanical properties.
Exploration of magnesium compounds with Fe and Co substitutions.
Identified key mechanical and structural properties relevant for hydrogen storage.
Highlighted electronic properties that could enhance hydrogen storage capabilities.

Ask about this paper

Answers are grounded in this paper and cite their sources.

Ask your own question…

Implication

Study demonstrates hydrogen storage potential in magnesium compounds, indicating importance for energy use.

Abstract

The development of efficient hydrogen storage materials is crucial for practical hydrogen energy utilization.

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Mia et al. (2026) studied this question.

synapsesocial.com/papers/69fbefef164b5133a91a41e1 https://doi.org/10.1039/d6ma00353b

View Full Paper

Ask AI

Bookmark

Share

Keep reading

Synapse has enriched 10 related papers. Consider them for comparative context:

1Structural, Electronic, and Hydrogen-Storage Properties of Cubic Perovskite Hydride Mg3ZrH8: A First-Principles StudyOriginal Research · 2026
2Investigation of Mg2XH6 (X= Cu, Zn, Cd) Hydrides for Practical Hydrogen Storage Applications with Moderate Desorption Temperature and High Capacity: DFT PerspectivesOriginal Research · 2026
3Computational investigation of MgXH4 (X = Ti, Zr) complex hydrides: Predicting scalable and affordable hydrogen functional materials through DFT-based physical characterizationOriginal Research · 2026 · 1 citations
4A comprehensive DFT study of the structural, mechanical, and optoelectronic properties of novel hydrogen-based A2MgZnH6 (A = Na, K) double perovskites for hydrogen storage applicationsOriginal Research · 2026
5Investigating the hydrogen storage potential and optoelectronic properties of double perovskite ZMg2FeH8 (Z = Ca, Be) hydridesOriginal Research · 2026
6Balancing capacity, stability, and functionality in MgB2H8: A DFT-based framework for solid-state hydrogen storageOriginal Research · 2026 · 6 citations
7A density functional theory study of defective and doped structures of MgB2 and their interaction with hydrogen2024 · 2 citations
8Efficient hydrogen storage with the combination of lightweight Mg/MgH2 and nanostructuresReview · 2012 · 187 citations
9Solar-Light-Driven Photocatalytic Water Splitting Using CuS/ZnS Type II Heterojunction: A Route to Green Hydrogen ProductionMaterials Advances · 2026
10Prediction and exploration of proton conductivity using machine learning in proton-conducting ceramicsMaterials Advances · 2026

More from Materials Advances

More from Saveetha University

More from King Khalid University

More from International Islamic University Chittagong