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Crystals
Special Issues
Novel Properties and Applications of Metal Hydrides Beyond Hydrogen Storage
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Novel Properties and Applications of Metal Hydrides Beyond Hydrogen Storage

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 6721

Special Issue Editors

Dr. Zhao Qian

E-Mail Website
Guest Editor
School of Material Science and Engineering, Shandong University, Jinan 250100, China
Interests: first-principles; light metal based hydrides and nitrides; density functional theory (DFT) calculations; two-dimensional crystals; electronic structure
Dr. Hai-Wen Li

E-Mail Website
Guest Editor
Hefei General Machinery Research Institute, Hefei 230031, China
Interests: hydrogen storage; hydrogen energy; hydride; rechargeable battery materials
Special Issues, Collections and Topics in MDPI journals
Dr. Abdel El-kharbachi

E-Mail Website
Guest Editor
Helmholtz Institute Ulm (HIU) Electrochemical Energy Storage, Germany
Interests: physico-chemical properties; batteries; electrochemistry; thermodynamics; kinetics; hydrogen isotopes; hydrides; borohydrides

Special Issue Information

Dear Colleagues,

Metal hydrides are composed of metallic elements and hydrogen and have interesting and important physics and chemistry. Over the past few decades, metal hydrides have been intensively investigated due to their applications in hydrogen storage. In recent years, with the development of novel technologies such as metal–ion (e.g., Li–ion) batteries, sensing, catalysis, thermal storage, and bio-medicine, some novel properties of metal hydrides and applications in these fields/areas have emerged. In order to further optimize the properties of metal hydrides for these new applications, it is essential to perform fundamental research on metal hydrides to unveil the new physics or chemistry that is relevant to the new applications.

For this Special Issue, we encourage authors to submit work that explores/extends the new application areas of metal hydrides and stimulates their study. Both experimental and theoretical/computational works are welcome.

Dr. Zhao Qian
Dr. Hai-Wen Li
Dr. Abdel El-kharbachi
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • metal hydrides
  • novel properties
  • application in rechargeable batteries
  • application in sensing
  • application in catalysis
  • application in thermal storage
  • application in bio-medicine

Published Papers (2 papers)

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Research

21 pages, 5271 KiB  
Article
Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO
by Nicolas Zapp, Denis Sheptyakov and Holger Kohlmann
Crystals 2021, 11(7), 750; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11070750 - 26 Jun 2021
Cited by 7 | Viewed by 2653
Abstract
Heteroanionic hydrides offer great possibilities in the design of functional materials. For ternary rare earth hydride oxide REHO, several modifications were reported with indications for a significant phase width with respect to H and O of the cubic representatives. We obtained DyHO [...] Read more.
Heteroanionic hydrides offer great possibilities in the design of functional materials. For ternary rare earth hydride oxide REHO, several modifications were reported with indications for a significant phase width with respect to H and O of the cubic representatives. We obtained DyHO and ErHO as well as the thus far elusive LuHO from solid-state reactions of RE2O3 and REH3 or LuH3 with CaO and investigated their crystal structures by neutron and X-ray powder diffraction. While DyHO, ErHO, and LuHO adopted the cubic anion-ordered half-Heusler LiAlSi structure type (F4¯3m, a(DyHO) = 5.30945(10) Å, a(ErHO) = 5.24615(7) Å, a(LuHO) = 5.171591(13) Å), LuHO additionally formed the orthorhombic anti-LiMgN structure type (Pnma; LuHO: a = 7.3493(7) Å, b = 3.6747(4) Å, c = 5.1985(3) Å; LuDO: a = 7.3116(16) Å, b = 3.6492(8) Å, c = 5.2021(7) Å). A comparison of the cubic compounds’ lattice parameters enabled a significant distinction between REHO and REH1+2xO1−x (x < 0 or x > 0). Furthermore, a computational chemistry study revealed the formation of REHO compounds of the smallest rare earth elements to be disfavored in comparison to the sesquioxides, which is why they may only be obtained by mild synthesis conditions. Full article
(This article belongs to the Special Issue Novel Properties and Applications of Metal Hydrides Beyond Hydrogen Storage)
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10 pages, 2071 KiB  
Article
Stabilization of Superionic-Conducting High-Temperature Phase of Li(CB9H10) via Solid Solution Formation with Li2(B12H12)
by Sangryun Kim, Kazuaki Kisu and Shin-ichi Orimo
Crystals 2021, 11(4), 330; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11040330 - 25 Mar 2021
Cited by 9 | Viewed by 2813
Abstract
We report the stabilization of the high-temperature (high-T) phase of lithium carba-closo-decaborate, Li(CB9H10), via the formation of solid solutions in a Li(CB9H10)-Li2(B12H12) quasi-binary system. [...] Read more.
We report the stabilization of the high-temperature (high-T) phase of lithium carba-closo-decaborate, Li(CB9H10), via the formation of solid solutions in a Li(CB9H10)-Li2(B12H12) quasi-binary system. Li(CB9H10)-based solid solutions in which [CB9H10]− is replaced by [B12H12]2− were obtained at compositions with low x values in the (1−x)Li(CB9H10)−xLi2(B12H12) system. An increase in the extent of [B12H12]2− substitution promoted stabilization of the high-T phase of Li(CB9H10), resulting in an increase in the lithium-ion conductivity. Superionic conductivities of over 10−3 S cm−1 were achieved for the compounds with 0.2 ≤ x ≤ 0.4. In addition, a comparison of the Li(CB9H10)−Li2(B12H12) system and the Li(CB9H10)−Li(CB11H12) system suggests that the valence of the complex anions plays an important role in the ionic conduction. In battery tests, an all-solid-state Li–TiS2 cell employing 0.6Li(CB9H10)−0.4Li2(B12H12) (x = 0.4) as a solid electrolyte presented reversible battery reactions during repeated discharge–charge cycles. The current study offers an insight into strategies to develop complex hydride solid electrolytes. Full article
(This article belongs to the Special Issue Novel Properties and Applications of Metal Hydrides Beyond Hydrogen Storage)
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