Article
Chemistry, Physical
Volodymyr A. Yartys, Colin J. Webb, Fermin Cuevas
Summary: The paper provides an overview of advanced in situ diffraction studies for probing the structure and reacting mechanisms of hydrogen and energy storage materials. These studies utilize high flux diffraction beam and high resolution measurements to establish the mechanism of phase-structural transformations and their kinetics. Various conditions, such as hydrogen/deuterium pressures and temperatures, as well as different charge-discharge states, are considered. The paper also highlights the contributions of Dr. Michel Latroche and summarises a long-standing collaboration between the co-authors in the field.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Ryan A. Klein, Rafael Balderas-Xicohtencatl, Jan Petter Maehlen, Terrence J. Udovic, Craig M. Brown, Robert Delaplane, Yongqiang Cheng, Roman Denys, Anibal J. Ramirez-Cuesta, Volodymyr A. Yartys
Summary: Intermetallic metal hydrides are essential for hydrogen storage, but those with higher storage capacities are still needed. Neutron vibrational spectroscopy (NVS) was used to study LaNiInHx and CeNiInH1.4, revealing close vibrational features between paired H atoms when x > 0.67. In contrast, no close H contacts were found in CeNiSnH, CeNiSnH2, and CeNiSnD2, demonstrating differences in hydrogen dynamics between the compounds.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Review
Chemistry, Physical
N. A. Ali, N. A. Sazelee, M. Ismail
Summary: Metal hydrides and complex hydrides are the most convenient method for hydrogen storage, offering high hydrogen capacity, but facing challenges of high operating temperature and low reversibility.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Energy & Fuels
Claudio Pistidda, Archa Santhosh, Paul Jerabek, Yuanyuan Shang, Alessandro Girella, Chiara Milanese, Maria Dore, Sebastiano Garroni, Simone Bordignon, Michele R. Chierotti, Thomas Klassen, Martin Dornheim
Summary: This study investigates the impact of energy transferred during particle collisions in a milling process on solid-gas reactions, with the synthesis of Mg(BH4)2 chosen as a model reaction. The results show that the energy transferred to the powder bed by the powder particles during milling is significant, especially when the milling process is prolonged.
JOURNAL OF PHYSICS-ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Yuanyuan Shang, Claudio Pistidda, Chiara Milanese, Alessandro Girella, Alexander Schokel, Thi Thu Le, Annbritt Hagenah, Oliver Metz, Thomas Klassen, Martin Dornheim
Summary: This manuscript proposes a method for obtaining high-quality NaAlH4 from automotive recycled alloy, and comprehensively explores its hydrogen storage properties using various experimental techniques. The results show that NaAlH4 with comparable properties to high-purity commercial NaAlH4 was successfully synthesized.
Article
Chemistry, Physical
Xin F. Tan, Manjin Kim, Qinfen Gu, Julio Pinzon Piraquive, Guang Zeng, Stuart D. McDonald, Kazuhiro Nogita
Summary: This study investigates the effects of Na in hypo-eutectic Mg-lwt.%Si alloys for H-2 storage applications. The addition of trace amounts of Na is vital in improving the H-2 sorption kinetics, achieving a high storage capacity. The study also analyzes the hydrogen sorption mechanisms and identifies the role of Na in facilitating hydrogen diffusion.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Multidisciplinary
Anna Michaely, Oliver Janka, Elias C. J. Giesselmann, Robert Haberkorn, Haakon T. A. Wiedemann, Christopher W. M. Kay, Guido Kickelbick
Summary: This study investigates the fast mechanochemical reduction of rutile-type TiO2 and H-Nb2O5 to their partially reduced black counterparts using NaH and LiH as reducing agents. The milling time and oxide to reducing agent ratio significantly influence the amount of reduced metal ions in the materials. LiH shows a higher reducing potential than NaH for both oxides. The intercalation of Li+ into the structure of the oxides was confirmed by PXRD, Rietveld refinements, and Li-6 solid-state NMR spectroscopy. The reduced oxides exhibit a decreased band gap, the presence of unpaired electrons, and enhanced photocatalytic performance compared to the pristine oxides.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Keenan R. Wright, Karabi Nath, Adam J. Matzger
Summary: The solvent dimethyl ether (DME) is effective in activating metal-organic frameworks (MOFs) at low temperatures without changing their structure, resulting in high surface areas.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Esmeralda Munoz-Cortes, Olga L. Ibryaeva, Miguel Manso Silvan, Borja Zabala, Eduardo Flores, Almudena Gutierrez, Jose Ramon Ares, Roman Nevshupa
Summary: This study explored the application of mechanical energy as a non-thermal method to drive hydrogen emission from undoped sodium alanate at room temperature. The results showed that mild rubbing of NaAlH4 pellets under vacuum led to intensive and instantaneous gas emission, with hydrogen being the dominant species. The emission process involved multiple first-order reactions with widely ranged time constants. It was suggested that the tribochemical reactions can be triggered by plastic deformation and shearing. A linked diffusion-wear model of NaAlH4 triboinduced dehydrogenation was proposed to explain the empirical findings.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Review
Materials Science, Multidisciplinary
Xin F. Tan, Manjin Kim, Kazuhiro Yasuda, Kazuhiro Nogita
Summary: Bulk Mg-based hydrogen storage materials have the potential to provide a low-cost solution for energy storage and transportation. They are safer and more oxidation resistant compared to nano powders. Various alloying elements and innovative processing methods can be used to improve the performance of bulk Mg alloys in terms of hydrogen sorption kinetics and stability.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Review
Energy & Fuels
Nejc Klopcic, Ilena Grimmer, Franz Winkler, Markus Sartory, Alexander Trattner
Summary: Efficient energy storage is crucial for the shift to renewable energies, and hydrogen storage in metal hydrides offers high energy densities and safety advantages. This work investigates the technical, economic, and environmental aspects of different metal hydride materials, including their properties, production methods, and potential enhancements. The impacts on material costs, raw material abundance, and import dependency are discussed, and the advantages and disadvantages of selected materials are derived for material selection. Further research on material properties and system-level improvements is needed for widespread application of metal hydrides.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Yang Meng, Shunlong Ju, Wei Chen, Xiaowei Chen, Guanglin Xia, Dalin Sun, Xuebin Yu
Summary: By fabricating V4Nb18O55 microspheres, the H-2 desorption and absorption properties of MgH2 can be improved and the uniform formation of Nb/V interfaces can be achieved, resulting in the reduction of dehydrogenation temperature of MgH2 and the enhancement of hydrogenation reaction rate.
Article
Chemistry, Physical
Mahvash Afzal, Nandlal Gupta, Aashish Mallik, K. S. Vishnulal, Pratibha Sharma
Summary: This study continues the computational analysis of a reactor with hexagonal honeycomb-based heat transfer enhancements, investigating the performance of a metal alloy and the reactor experimentally. It determines the gravimetric capacity and reaction kinetics of the alloy La0.9Ce0.1Ni5, while also exploring the impact of operating conditions on reactor performance. Additionally, evaporative cooling is tested for the first time as a heat removal technique for metal hydride based hydrogen storage reactors and found to significantly improve heat transfer.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Crystallography
Zia Ur Rehman, Mohsan Nawaz, Hameed Ullah, Pervaiz Ahmad, Mayeen Uddin Khandaker, Abubakr M. Idris, Sirajul Haq, Abdelmoneim Sulieman
Summary: This study prepared solid solutions CaxMg1-xNi2 (0 <= x <= 1) in the quasi-binary system CaNi2-MgNi2 and investigated their crystal structures and hydrogenation properties. The results show significant changes in the crystal structure and hydrogenation properties of the compounds within different compositional ranges.
Article
Green & Sustainable Science & Technology
Satya Sekhar Bhogilla
Summary: Thermo-chemical based thermal energy storage systems are receiving attention due to their higher energy density. Metal hydride based thermal energy storage systems are energy-efficient, compact, environmentally friendly, and available over a wide operating temperature range, making them ideal for concentrating solar power plants.
Article
Chemistry, Inorganic & Nuclear
Angela Lis, Viorica Gladchi, Gheorghe Duca, Sergey Travin
Summary: This work presents studies on the photochemical transformations of TU and Cys with the addition of Cu(II) or Fe(III) ions. The results show that the oxidation rate of the thiols increases significantly when Cu(II) or Fe(III) ions are added to the system. It has also been found that TU and Cys can form stable complex compounds with the studied metal ions. The oxidation rates of the thiols are found to depend on the radiation intensity and emission spectrum of the irradiation sources.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Cristiane F. A. Teixeira, Estefane I. Teixeira, J. P. C. Nascimento, M. Amilcar Junior, L. M. C. Pinto, Anderson R. L. Caires, G. B. Alcantara, Ana C. Micheletti, Victor M. Deflon, Davi F. Back, Heveline Silva, Lucas Pizzuti, Gleison Antonio Casagrande
Summary: Novel binuclear heteroleptic copper(I) complexes based on mixed DPPE/thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. These complexes exhibited similar structural behavior around the Copper(I) atoms and showed promising antimicrobial and anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Chen Chen, Li Liu, Xin-Xin Zhong, Fa-Bao Li, Hai-Mei Qin
Summary: Thermally activated delayed fluorescent (TADF) Cu(I) halide complexes with short lifetimes and intense emissions were synthesized and characterized. These complexes exhibit intense green to yellow-green delayed fluorescence and are suitable for OLED devices.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Tian-Yu Zhang, Xue-Qian Wu, Heng-Yu Ruan, Yi Yuan, Le Wang, Ya-Pan Wu, Qing-Wen Han, Ruan Chi, Dong-Sheng Li
Summary: In this study, a novel Ni(II)-based metal-organic framework with good electrocatalytic oxidation performance was successfully synthesized, showing potential for direct alcohol fuel cells.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Susanta Das Baishnab, R. N. Dutta Purkayastha, Waldemar Maniukiewicz, Rosa M. Gomila, Antonio Frontera
Summary: The synthesis, structure, and DNA binding ability of three decavanadate complexes containing cationic organic moieties were reported. The complexes were characterized by various techniques and their solid-state structures were analyzed. The complexes showed interesting assembly patterns and exhibited moderately strong intercalative binding with CTDNA. Additionally, their micellization behavior in the presence of the surfactant CTAB was studied.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Jubaraj B. Baruah
Summary: Isomorphous series are generated by replacing atoms or molecules to form materials with similar compositions. They allow modulation of structure and properties, and generate equivalent compositions with novel material properties. The study of stereo-electronic aspects of different equivalent compositions can improve the utility of the original composition.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Kamelah S. Al-Rashdi, Bandar A. Babgi, Ehab M. M. Ali, Bambar Davaasuren, Abdul-Hamid M. Emwas, Mariusz Jaremko, Mark G. Humphrey, Mostafa A. Hussien
Summary: Tridentate ligands were used to synthesize a set of palladium complexes, which were characterized and found to have DNA and BSA binding abilities. The complexes also showed differences in anticancer activities.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Diane Isaacs, Chandler Cox, Mark A. Bezpalko, W. Scott Kassel, William G. Dougherty
Summary: The structure and electrochemical properties of zinc(II) complexes with a face-capping ligand have been investigated, revealing the effect of the ligand on bound semiquinonate (SQ) radicals. The substitution pattern of the SQ ring plays a crucial role in determining the fate of the bound SQ radicals. Additionally, the protective pocket formed by the ligand's phenyl substituents is unable to prevent decomposition of SQ radicals with minimal steric bulk, suggesting that substitution of the SQ ring is the main contributor to their stabilization.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Xingliang Chen, Zhiqiang Jiang
Summary: Here, a series of zinc tetrahedral tetrazolate frameworks (Zn-TTFs) are presented, and it is demonstrated that rotation of carboxyl group can generate structural diversity. Compound 3 exhibits a unique zeolite-like structure, while compound 4 shows both super acid and alkali resistance.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Ankita Puri, Allison Mcaninch, Sheng Shu, Khashayar Rajabimoghadam, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch
Summary: In this article, the synthesis and characterization of copper, nickel, and palladium complexes bound by bidentate ligands derived from ortho-phenylenediamine are described. The complexes contain tunable H-bond donors and their crystal structures reveal intramolecular H-bonding interactions between the ligand scaffolds. Variations in the coordination sphere led to the isolation of the complexes in square-planar or twisted pseudo-tetrahedral geometries. Structural analysis showed that intramolecular H-bonding interactions can be altered by disrupting the bonds between countercations, solvent of crystallization, and ligand scaffold, resulting in changes in the geometry of the complexes. DFT calculations confirmed that Cu complexes prefer twisted geometries while Ni and Pd complexes favor square-planar geometries.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Laiane dos Santos Oliveira, Pedro Henrique de Souza Guarda, Leticia Bazilio Rosa, Gustavo Clauss Rodrigues, Daniele Daiane Affonso, Joao Ernesto de Carvalho, Igor Andrade Santos, Mark Harris, Douglas Hideki Nakahata, Jose Ricardo Sabino, Danilo Ciccone Miguel, Ana Lucia Tasca Gois Ruiz, Ana Carolina Gomes Jardim, Camilla Abbehausen
Summary: Chalcones are chemical precursors of flavonoids that have various biological properties. In this study, novel copper(II)-2'-hydroxy-4-benzyloxychalcone complexes were synthesized and evaluated for their antileishmanial, antiproliferative, and antiviral activities. The results demonstrated that these complexes showed potential effects against tumor cells, leishmania parasites, and SARS-CoV-2 virus. The study also highlighted the influence of ligand structure on biological activity.
INORGANICA CHIMICA ACTA
(2024)
Review
Chemistry, Inorganic & Nuclear
Archana Thakur, Harpreet Kaur, Vishal Tyagi
Summary: This review article discusses the findings of research on the 13C NMR spectra of di- and tri-butyltin carboxylates, highlighting the importance of 13C NMR chemical shifts in determining the chemical surroundings of carbon nuclei and their role in structure elucidation.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Qiang Zhao, Qi-Yang Li, Zhi Shen, Guo Zang, Wen-Jun Lv
Summary: In this study, five metal complexes were synthesized using a solvothermal reaction and their structures were analyzed by single crystal X-ray diffraction. Fluorescence and magnetic properties of some complexes were also investigated.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Jeremy Erb, Darcy Setter, Jake Swavey, Frederick Willits, Shawn Swavey
Summary: Three BODIPY-Ru(II) complexes were synthesized by coordinating [Ru(bpy)2Cl]+ complexes to BODIPY ligands. The spectroscopic and electrochemical properties of the complexes were characterized. The complexes exhibited intense absorption peaks due to the pi pi* transitions localized on the BODIPY core, and additional charge transfer transitions associated with the metal center. The complexes showed significant singlet oxygen generation and were able to induce photo-nicking of DNA.
INORGANICA CHIMICA ACTA
(2024)
Article
Chemistry, Inorganic & Nuclear
Sahin Reja, Dilip Sarkar, Kaushik Sarkar, Deboshmita Mukherjee, T. K. S. Fayaz, Palash Sanphui, Rajesh Kumar Das
Summary: A promising bioinspired metallocatalyst has been produced and characterized, showing high catalytic activity in oxygen dependant enzymatic radical pathway. The catalyst also exhibits inter and intra molecular H-bonding and C-H-pi interactions.
INORGANICA CHIMICA ACTA
(2024)