Atomic and Molecular Clusters for Hydrogen Storage

A special issue of Hydrogen (ISSN 2673-4141).

Deadline for manuscript submissions: closed (30 April 2026) | Viewed by 2094

Special Issue Editor


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Guest Editor
Department of Chemistry, Murray State University, Murray, KY 42071, USA
Interests: atomic clusters; spectroscopy; gas phase; matrix isolation; computational chemistry; hydrogen; transition and main group metals; doped semiconductors; catalysis

Special Issue Information

Dear Colleagues,

The need for alternative energy sources to replace our dependence on fossil fuels has become increasingly apparent as climate change, air pollution, and other consequences of their continued use become increasingly noticeable. Hydrogen is a clean energy source with several advantages; however, being a lightweight gas at ambient temperature and pressures presents issues in relation to safely storing and using the fuel. Storing hydrogen indirectly in atomic and molecular clusters has the potential to help alleviate these shortfalls.

This Special Issue, entitled “Atomic and Molecular Clusters for Hydrogen Storage”, aims to present recent experimental and theoretical investigations exploring the chemistry and physics of both small and large clusters as models for hydrogen storage materials. This Special Issue is grouped into two subsections. One will mainly focus on strongly bound atomic clusters, including free and supported transition metal hydrides, salt-like metal hydrides, and hydrogen adsorbed to pure and doped atomic clusters. The other section will largely group together studies that focus on chemical hydrides and molecular clusters composed of hydrogen-containing compounds and nanodroplets. Both sections will span various cluster size ranges and will couple both experimental and theoretical techniques.

We welcome submissions reporting recent investigations from all areas of cluster and nanocluster science that incorporate hydrogen to advance hydrogen storage and handling.

Dr. Jonathan Lyon
Guest Editor

Manuscript Submission Information

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Keywords

  • cluster chemistry and physics
  • atomic and molecular clusters containing hydrogen
  • hydrogen storage
  • hydrogen economy
  • solid state
  • interface chemistry
  • theoretical and experimental physical chemistry

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Published Papers (1 paper)

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Research

23 pages, 3874 KB  
Article
Hysteresis in Precipitation–Dissolution Cycling of Hydrides in Zirconium Alloys Is an Illusion
by Glenn McRae and Christopher Coleman
Hydrogen 2026, 7(1), 18; https://doi.org/10.3390/hydrogen7010018 - 28 Jan 2026
Viewed by 1198
Abstract
Experimental results are compiled to show apparent hysteresis seen in hydride thermal precipitation–dissolution cycling in zirconium alloys using X-ray diffraction, dynamic elastic modulus techniques, and differential scanning calorimetry (DSC). Gibbs’ phase rule is used to justify a description of a stable hydride in [...] Read more.
Experimental results are compiled to show apparent hysteresis seen in hydride thermal precipitation–dissolution cycling in zirconium alloys using X-ray diffraction, dynamic elastic modulus techniques, and differential scanning calorimetry (DSC). Gibbs’ phase rule is used to justify a description of a stable hydride in the H-Zr system in terms of a control volume with a hydride at its core, surrounded by a stress gradient that produces a stabilizing gradient of hydrogen in the solution. The conditions for a stable hydride are derived when the flux of hydrogen in solid solution is zero. DSC heat flow curves are analyzed with a thermodynamic model that predicts concentrations of hydrogen in a solution during temperature cycling and a description of experimental results that show how concentrations evolve at a constant temperature to the same final state when cycling is paused, from which hysteresis is deemed an illusion. The control volume is supported by previous energy calculations, performed with density functional theory. Implications of replacing the order parameter for phase field methods with the gradient of the yield stress are discussed. A practical method for forming a stable hydride is presented. Full article
(This article belongs to the Special Issue Atomic and Molecular Clusters for Hydrogen Storage)
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