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article

Structural, electronics, magnetic, optical, mechanical and hydrogen storage properties of Ga‐based hydride‐perovskites XGaH₃ (X = K, Li)

Muhammad Usman, Jalil ur Rehman, M. Bilal Tahir, Abid Hussain

International Journal of Energy Research > 46 > 11 > 15617 - 15626

The present study investigates some physical properties of KGaH₃ and LiGaH₃ whose lattice parameters and band gap match well with a previous study involving Ga‐based hydride‐perovskites. Both the compounds are found to be stable in cubic form and have a metallic character with zero band gap. The TDOS and PDOS confirm the metallic behavior by showing maximum conductivity at the Fermi level. Both materials...

article

Hydrogen storage systems from waste Mg alloys

C. Pistidda, N. Bergemann, J. Wurr, A. Rzeszutek, more

Journal of Power Sources > 2014 > 270 > C > 554-563

The production cost of materials for hydrogen storage is one of the major issues to be addressed in order to consider them suitable for large scale applications. In the last decades several authors reported on the hydrogen sorption properties of Mg and Mg-based systems. In this work magnesium industrial wastes of AZ91 alloy and Mg-10 wt.% Gd alloy are used for the production of hydrogen storage materials...

article

Bed geometries, fueling strategies and optimization of heat exchanger designs in metal hydride storage systems for automotive applications: A review

Andrea Mazzucco, Martin Dornheim, Michael Sloth, Torben R. Jensen, more

International Journal of Hydrogen Energy > 2014 > 39 > 30 > 17054- 17074

This review presents recent developments for effective heat management systems to be integrated in metal hydride storage tanks, and investigates the performance improvements and limitations of each particular solution. High pressures and high temperatures metal hydrides can lead to different design considerations, which are discussed in the paper. Studies analyzing design procedures based upon different...

article

Hydride destabilization in core–shell nanoparticles

L. Pasquini, M. Sacchi, M. Brighi, C. Boelsma, more

International Journal of Hydrogen Energy > 2014 > 39 > 5 > 2115-2123

We present a model that describes the effect of elastic constraint on the thermodynamics of hydrogen absorption and desorption in biphasic core–shell nanoparticles, where the core is a hydride forming metal. In particular, the change of the hydride formation enthalpy and of the equilibrium pressure for the metal/hydride transformation are described as a function of nanoparticles radius, shell thickness,...

article

Alkali Metal‐Doped Fullerenes as Hydrogen Storage—A Quantum Chemical Investigation

Anoop Kumar Pandey, Vijay Singh, Deen Dayal Dubey, Kamal Kumar Pandey, more

Macromolecular Symposia > 413 > 5 > n/a - n/a

The quest for alternative energy sources has been spurred by the drawbacks and environmental risks of fossil fuels, with hydrogen emerging as a viable contender. But finding materials that can effectively store hydrogen with the best adsorption energy is a major obstacle to building a hydrogen‐based economy. As a result, a significant amount of research has been conducted worldwide to examine fullerene's...

article

Integration of a Hydrogen Storage Cavern into the Carbon2Chem^® Project

Maurice Schlichtenmayer, Monika Rockenschaub, Torsten Wagler, Dan Schneiders, more

Chemie Ingenieur Technik > 96 > 9 > 1310 - 1319

Underground salt caverns allow large hydrogen storage capacities at low specific costs. Such storage is required to balance fluctuating hydrogen supply and constant demand of large consumers as a methanol plant from the Carbon2Chem^® project. The geological and technical feasibility for developing up to 168 Mio. m³ (n.c.) or 595 GWh of working gas capacity until 2040 at a location in the Lower Rhine...

article

Interaction of H, H₂, and MgH₂ With Graphene and Possible Application to Hydrogen Storage—A Density Functional Computational Investigation

K. Iyakutti, Rence P. Reji, K. Ajaijawahar, I. Lakshmi, more

International Journal of Quantum Chemistry > 124 > 16 > n/a - n/a

The interaction of H, H₂, and MgH₂ with graphene is investigated using the density functional theory to explore the possibility of exploiting graphene or functionalized graphene as a hydrogen storage medium. The H atom is positioned at various distances from the graphene surface and the energetics are computed in detail. The extent of interaction of the s electron of H with graphene's p_z electrons...

article

Lithium Borohydride Nanorods: Self‐Assembling Growth and Remarkable Hydrogen Cycling Properties

Wenxuan Zhang, Linming Zhou, Xin Zhang, Zhenguo Huang, more

Small > 20 > 32 > n/a - n/a

Nanostructured metal hydrides with unique morphology and improved hydrogen storage properties have attracted intense interests. However, the study of the growth process of highly active borohydrides remains challenging. Herein, for the first time the synthesis of LiBH₄ nanorods through a hydrogen‐assisted one‐pot solvothermal reaction is reported. Reaction of n‐butyl lithium with triethylamine borane...

article

Mechanism of hot‐spot formation of emulsion explosives sensitized by hydrogen‐storage glass microballoons

Yixin Wang, Honghao Ma, Zhaowu Shen, Jiping Chen

Propellants, Explosives, Pyrotechnics > 49 > 7 > n/a - n/a

In order to investigate the primary factors influencing hot‐spot formation in emulsion explosives sensitized by hydrogen‐storage glass microballoons (GMBs), we conducted impact calculations on hydrogen‐storage GMBs. The calculations focused on tracking two main mechanisms: the brittle collapse of GMBs and the adiabatic compression of internal gas. Various parameters were considered, including loading...

article

Electrolytic Hydrogen Release from Hydrogen Boride Sheets

Satoshi Kawamura, Akira Yamaguchi, Keisuke Miyazaki, Shin‐ichi Ito, more

Small > 20 > 27 > n/a - n/a

Solid‐state hydrogen storage materials are safe and lightweight hydrogen carriers. Among the various solid‐state hydrogen carriers, hydrogen boride (HB) sheets possess a high gravimetric hydrogen capacity (8.5 wt%). However, heating at high temperatures and/or strong ultraviolet illumination is required to release hydrogen (H₂) from HB sheets. In this study, the electrochemical H₂ release from HB...

article

High Hydrogen Storage in Trigonal Prismatic Monomer‐Based Highly Porous Aromatic Frameworks

Dae Won Kim, Yu Chen, Hyunlim Kim, Namju Kim, more

Advanced Materials > 36 > 26 > n/a - n/a

Hydrogen storage is crucial in the shift toward a carbon‐neutral society, where hydrogen serves as a pivotal renewable energy source. Utilizing porous materials can provide an efficient hydrogen storage solution, reducing tank pressures to manageable levels and circumventing the energy‐intensive and costly current technological infrastructure. Herein, two highly porous aromatic frameworks (PAFs),...

article

Leveraging Curvature on N‐Doped Carbon Materials for Hydrogen Storage

Peter S. Rice, Gabriel Lee, Brayden Schwartz, Tom Autrey, more

Small > 20 > 25 > n/a - n/a

Carbon sorbent materials have shown great promise for solid‐state hydrogen (H₂) storage. Modification of these materials with nitrogen (N) dopants has been undertaken to develop materials that can store H₂ at ambient temperatures. In this work density functional theory (DFT) calculations are used to systematically probe the influence of curvature on the stability and activity of undoped and N‐doped...

article

Rechargeable Zn‐H₂O hydrolysis battery for hydrogen storage and production

Muya Cai, Hao Shi, Yu Zhang, Jiakang Qu, more

Angewandte Chemie > 136 > 26 > n/a - n/a

Reactive metals hydrolysis offers significant advantages for hydrogen storage and production. However, the regeneration of common reactive metals (e.g., Mg, Al, etc.) is energy‐intensive and produces unwanted byproducts such as CO₂ and Cl₂. Herein, we employ Zn as a reactive mediator that can be easily regenerated by electrolysis of ZnO in an alkaline solution with a Faradaic efficiency of >99...

article

Rechargeable Zn‐H₂O hydrolysis battery for hydrogen storage and production

Muya Cai, Hao Shi, Yu Zhang, Jiakang Qu, more

Angewandte Chemie International Edition > 63 > 26 > n/a - n/a

Reactive metals hydrolysis offers significant advantages for hydrogen storage and production. However, the regeneration of common reactive metals (e.g., Mg, Al, etc.) is energy‐intensive and produces unwanted byproducts such as CO₂ and Cl₂. Herein, we employ Zn as a reactive mediator that can be easily regenerated by electrolysis of ZnO in an alkaline solution with a Faradaic efficiency of >99...

article

Ti₃C₂T_x MXene as Intriguing Material for Electrochemical Capacitor

Masoud Foroutan Koudahi, Elżbieta Frąckowiak

Small > 20 > 21 > n/a - n/a

This study provides meaningful insight into the charge storage in Ti₃C₂T_x MXene (M‐transition metal, X‐carbon, T‐Cl, F, O) for electrochemical capacitor (EC) application. The experiments show that this 2D material is especially adapted for the hydrogen electrosorption under negative polarization. It is found that hydrogen bonding to the Ti₃C₂T_x surface occurs through interactions of various strength...

article

A density functional theory study of hydrogen storage on Ni and Pd doped hetero GeC nanotubes

H. O. Taha, A. M. El Mahdy, M. A. Ramadan

International Journal of Quantum Chemistry > 124 > 11 > n/a - n/a

Using ab‐initio DFT based simulations, the hydrogen storage capacity of transition metal (TM = Ni, Pd) decorated doped germanium carbide nanotubes (GeCNTs) with heteroatoms (B, N, Ga, and As) has been examined. The study reveals that each Ni atom bonded on GeCB, GeCN, GeCGa, and GeCAs can attach at the most of 3H₂, 2H₂, 4H₂, and 5H₂ molecules with an average binding energy of −.36, −.40, −.32, and...

article

Interfacial Engineering of Fluorinated TiO₂ Nanosheets with Abundant Oxygen Vacancies for Boosting the Hydrogen Storage Performance of MgH₂

Qingyun Shi, Yuxing Gao, Shaolei Zhao, Chunmin Zhang, more

Small > 20 > 18 > n/a - n/a

The interaction between fluorinated surface in the partially reduced nano‐crystallite titanium dioxide (TiO_2‐x(F)) and MgH₂ is studied for the first time. Compared with pristine MgH₂ (416 °C), the onset desorption temperature of MgH₂+5 wt.% TiO_2‐x(F) composite can be dramatically lowered to 189 °C. In addition, the composite exhibits remarkable dehydrogenation kinetics, which can release 6.0 wt.%...

article

A first principles study on the catalytic performance of methylcyclohexane dehydrogenation on a monoatomic catalyst

Siti Zulaehah, Eqwar Saputra, Riri Jonuarti, Wahyu Tri Cahyanto

Surface and Interface Analysis > 56 > 5 > 241 - 248

This research explores how methylcyclohexane (MCH) interacts with individual metal atoms M (M= Pt, Pd, and Cu) based on density functional theory (DFT) total energy calculations. We analyzed the adsorption energies of MCH on these metal atoms to understand their stability and reactivity. The results show that MCH prefers to attach to single Pt atoms, which exhibited the strongest adsorption energy...

article

Wpływ wodoru na stale konstrukcyjne stosowane w sprzęcie i urządzeniach do jego transportu i magazynowania

Mateusz Masłowski, Marek Czupski, Piotr Kasza, Rafał Moska

Przemysł Chemiczny > 2024 > T. 103, nr 3 > 410--416

Przegląd literatury dotyczący wpływu wodoru na wyroby stalowe. Opisano proces korozji rur, podstawowe rodzaje uszkodzeń stali wywoływane przez wodór oraz główne czynniki wpływające na kruchość wodorową, takie jak m.in. mikrostruktura, właściwości mechaniczne, charakter granicy ziaren, tekstura krystalograficzna, wtrącenia i wydzielenia oraz temperatura. Mechanizmy niszczenia wodorowego przedstawiono...

article

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

Carolina Carrillo‐Carrión, Judit Farrando‐Perez, Luke L. Daemen, Yongqiang Q. Cheng, more

Angewandte Chemie > 136 > 6 > n/a - n/a

We report the first experimental evidence for rapid formation of hydrogen clathrates under mild pressure and temperature conditions within the cavities of a zirconium‐metalloporphyrin framework, specifically PCN‐222. PCN‐222 has been selected for its 1D mesoporous channels, high water‐stability, and proper hydrophilic behavior. Firstly, we optimize a microwave (MW)‐assisted method for the synthesis...

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Search results

Structural, electronics, magnetic, optical, mechanical and hydrogen storage properties of Ga‐based hydride‐perovskites XGaH₃ (X = K, Li)

Hydrogen storage systems from waste Mg alloys

Bed geometries, fueling strategies and optimization of heat exchanger designs in metal hydride storage systems for automotive applications: A review

Hydride destabilization in core–shell nanoparticles

Alkali Metal‐Doped Fullerenes as Hydrogen Storage—A Quantum Chemical Investigation

Integration of a Hydrogen Storage Cavern into the Carbon2Chem^® Project

Interaction of H, H₂, and MgH₂ With Graphene and Possible Application to Hydrogen Storage—A Density Functional Computational Investigation

Lithium Borohydride Nanorods: Self‐Assembling Growth and Remarkable Hydrogen Cycling Properties

Mechanism of hot‐spot formation of emulsion explosives sensitized by hydrogen‐storage glass microballoons

Electrolytic Hydrogen Release from Hydrogen Boride Sheets

High Hydrogen Storage in Trigonal Prismatic Monomer‐Based Highly Porous Aromatic Frameworks

Leveraging Curvature on N‐Doped Carbon Materials for Hydrogen Storage

Rechargeable Zn‐H₂O hydrolysis battery for hydrogen storage and production

Rechargeable Zn‐H₂O hydrolysis battery for hydrogen storage and production

Ti₃C₂T_x MXene as Intriguing Material for Electrochemical Capacitor

A density functional theory study of hydrogen storage on Ni and Pd doped hetero GeC nanotubes

Interfacial Engineering of Fluorinated TiO₂ Nanosheets with Abundant Oxygen Vacancies for Boosting the Hydrogen Storage Performance of MgH₂

A first principles study on the catalytic performance of methylcyclohexane dehydrogenation on a monoatomic catalyst

Wpływ wodoru na stale konstrukcyjne stosowane w sprzęcie i urządzeniach do jego transportu i magazynowania

Zr‐Porphyrin Metal–Organic Framework as nanoreactor for boosting the formation of hydrogen clathrates

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