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)
Review
Green & Sustainable Science & Technology
Alok Kumar, P. Muthukumar, Pratibha Sharma, E. Anil Kumar
Summary: Hydrogen is considered a reliable option for clean energy in a sustainable society. Absorption/adsorption based solid-state hydrogen storage technology is a safer alternative to compressed and liquefied hydrogen storage, using materials such as metal hydrides and complex hydrides. This review provides an overview of material options, alloy characteristics, and worldwide advancements in solid-state hydrogen storage.
SUSTAINABLE ENERGY TECHNOLOGIES AND ASSESSMENTS
(2022)
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
Chemistry, Multidisciplinary
YongJun Cho, Sichi Li, Jonathan L. Snider, Maxwell A. T. Marple, Nicholas A. Strange, Joshua D. Sugar, Farid El Gabaly, Andreas Schneemann, Sungsu Kang, Min-ho Kang, Hayoung Park, Jungwon Park, Liwen F. Wan, Harris E. Mason, Mark D. Allendorf, Brandon C. Wood, Eun Seon Cho, Vitalie Stavila
Summary: The study demonstrates a new approach to thermodynamically stabilizing metastable metal hydrides by coordinating them with nitrogen binding sites within nanopores. This allows for low-temperature hydrogen release and regeneration of LiAlH4 at high pressure, with a predicted decrease in Al-H bond dissociation energy. Additionally, solid-state reversibility is achieved through a combination of nanoconfinement effects, Li adatom formation, and charge redistribution between the metal hydride and the host.
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
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, Physical
Sadhasivam Thangarasu, Gowthami Palanisamy, Yeong Min Im, Tae Hwan Oh
Summary: Hydrogen energy has significant benefits for future energy needs and environmental concerns. However, the challenges in terms of hydrogen storage, particularly in metal hydrides, need to be addressed. This review focuses on alternative methods, such as polymer-hydride systems, to prevent contamination and improve hydrogen sorption properties.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Xiaoyue Zhang, Yahui Sun, Guanglin Xia, Xuebin Yu
Summary: Light-weight solid-state hydrogen storage materials, such as metal hydrides and complex hydrides, have great application potential due to their high hydrogen storage densities. Neutron scattering techniques have become powerful tools for characterizing the hydrogen storage mechanism of these materials.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Boris P. Tarasov, Pavel V. Fursikov, Alexey A. Volodin, Mikhail S. Bocharnikov, Yustinas Ya Shimkus, Aleksey M. Kashin, Volodymyr A. Yartys, Stanford Chidziva, Sivakumar Pasupathi, Mykhaylo V. Lototskyy
Summary: This article provides an overview of literature data and R&D activities on energy storage technologies using hydrogen and metal hydrides, with a focus on selecting metal hydride materials based on AB(5)- and AB(2)-type intermetallic compounds for hydrogen storage and compression applications. It also discusses features of integrated energy storage systems utilizing metal hydride hydrogen storage and compression components developed by IPCP and HySA Systems.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
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
A. G. Olabi, Adel Saleh Bahri, Aasim Ahmed Abdelghafar, Ahmad Baroutaji, Enas Taha Sayed, Abdul Hai Alami, Hegazy Rezk, Mohammad Ali Abdelkareem
Summary: Hydrogen has been identified as the most promising carrier of clean energy in the efforts to replace fossil fuels. Hydrogen generation technologies play a key role in the energy mix and integrating them with other renewable energy systems is becoming increasingly feasible. While progress has been made in large-scale production and storage of hydrogen, local conditions and multiple strategies may be needed to achieve significant production and storage.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Rui Shi, Haoxing Yan, Jiguang Zhang, Haiguang Gao, Yunfeng Zhu, Yana Liu, Xiaohui Hu, Yao Zhang, Liquan Li
Summary: A simple, cost-effective method of water treatment is proposed to produce highly reactive and air-stable bulk Mg-Ni-based hydrides in this study. The method can significantly decrease the dehydrogenation temperature and allow the hydrides to be stored under ambient conditions without losing activity, providing an alternative approach to design low-cost, highly active metal hydrides.
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Pei Sun, Chengshang Zhou, Yong Liu, Zhigang Zak Fang
Summary: TiFe alloy is an excellent candidate for stationary hydrogen storage due to its superior properties. However, the need for high-temperature activation has hindered its practical application. This study investigates the activation of TiFe alloys with different ratios and finds that TiFe0.90 alloy can be activated at room temperature and moderate hydrogen pressure, while equimolar TiFe alloy has poor activation kinetics. The presence of Ti4Fe2O1-x phase in the TiFe0.9 alloy plays a critical role in the activation process, serving as a conduit for hydrogen absorption by TiFe.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Biochemistry & Molecular Biology
Melkizedeck H. Tsere, Tatiana P. Pogrebnaya, Alexander M. Pogrebnoi
Summary: The study demonstrates that complex metal hydrides can release hydrogen gas to form gaseous products at high temperatures and undergo heterophase reactions to produce solid products at lower temperatures. The stability of these hydrides to different dissociation channels was analyzed using thermodynamic methods.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Physical
Liwen F. Wan, Tom Autrey, Brandon C. Wood
Summary: This study aims to understand the kinetic limitations of Mg(BH4)(2) through first-principles simulations. It identifies the rate-limiting step during BH4--B3H8- conversion and clarifies the existence of molecular species as intermediates in the Mg-BH4-Mg matrix. This provides valuable insights for the development of efficient hydrogen storage materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Nanoscience & Nanotechnology
Keith G. Ray, Leonard E. Klebano, Vitalie Stavila, ShinYoung Kang, Liwen F. Wan, Sichi Li, Tae Wook Heo, Mark D. Allendorf, Jonathan R. I. Lee, Alexander A. Baker, Brandon C. Wood
Summary: In this study, direct ab initio molecular dynamics simulations were used to investigate the hydrogenation chemistry of MgB2. The research reveals the multistep reaction processes at complex interfaces and provides guidance for improving the kinetic performance of MgB2-based hydrogen storage materials. These findings also serve as a template for exploring chemical pathways in other solid-state energy storage reactions.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Chaochao Dun, Sohee Jeong, Deok-Hwang Kwon, ShinYoung Kang, Vitalie Stavila, Zhuolei Zhang, Joo-Won Lee, Tracy M. Mattox, Tae Wook Heo, Brandon C. Wood, Jeffrey J. Urban
Summary: The chemical interactions on the surface of nanoparticles are closely related to its crystal facets, which can regulate the energy storage properties. This study investigated the growth of magnesium particles with different crystal facets on graphene oxide. The hydrogen storage performance of the magnesium particles varied depending on the crystal facet orientation. The results provide a new method for regulating the hydrogen storage of metal hydrides.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Kwangnam Kim, Aniruddha Dive, Andrew Grieder, Nicole Adelstein, ShinYoung Kang, Liwen F. Wan, Brandon C. Wood
Summary: This article reports and validates an ML potential that can simulate the properties of crystalline, disordered, and amorphous LLZO systems under a wide range of conditions, with high accuracy and scalability compared to ab initio simulations.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
James Chapman, Nir Goldman, Brandon C. Wood
Summary: In this study, a graph-based order parameter is introduced for the characterization of atomistic structures. The order parameter is universal and transferable to different structural geometries, outperforming existing methods in classifying atomistic structures and opening up possibilities for fine structure-level characterization.
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Thermodynamics
Dong-min Kim, Dong Ju Han, Tae Wook Heo, ShinYoung Kang, Brandon C. Wood, Jungchul Lee, Eun Seon Cho, Bong Jae Lee
Summary: Engineering thermophysical properties of metal hydrides nanocomposites is crucial for effective thermal management during hydrogen storage reactions. This study investigates the microstructural factors that determine the effective thermal conductivity of individual reduced graphene oxide-magnesium (rGO/Mg) nanocomposites and their packed bed using an integrated experiment-modeling approach. The results demonstrate that the anisotropy of the effective thermal conductivity of the individual nanocomposites plays a significant role in determining the overall thermal conductivity of the packed bed. The developed mesoscopic model also reveals the complex interplay between intrinsic properties and extrinsic structural features.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Inorganic & Nuclear
Joseph E. Reynolds, Austin C. Acosta, ShinYoung Kang, Sichi Li, Andrew S. Lipton, Mark E. Bowden, Nicholas R. Myllenbeck, Andreas Schneemann, Noemi Leick, Austin Bhandarkar, Christopher Reed, Robert D. Horton, Thomas Gennett, Brandon C. Wood, Mark D. Allendorf, Vitalie Stavila
Summary: This study reports a new class of Grignard reagents, reactive borohydride anions replacing halides, which adds a new synthetic dimension and exhibits unique reactivity and potential applications.
Article
Chemistry, Physical
Henry Yu, Stephen E. Weitzner, Joel B. Varley, Brandon C. Wood, Sneha A. Akhade
Summary: The electrochemical reduction of CO2 with Cu based catalysts is closely related to the instantaneous local chemical environment of the catalyst-electrolyte interface. This microenvironment fluctuates depending on the concentration of surface-adsorbed competing reaction intermediates and the applied electrode potential. Quantifying the complex interdependence between electrode potential, CO* coverage, and the interfacial field strength, our study reveals the strong influence of CO* coverage on the field strength, suggesting its significance in determining the selectivity towards multicarbon products. Additionally, our results demonstrate the potential of surface additives to modulate interfacial fields for tailored electrochemical pathways.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Jeremy A. Scher, Stephen E. Weitzner, Yue Hao, Tae Wook Heo, Stephen T. Castonguay, Sylvie Aubry, Susan A. Carroll, Matthew P. Kroonblawd
Summary: Bare aluminum surfaces quickly form a protective oxide layer, but the structure and dynamics of water at this interface can influence corrosion kinetics. Using simulations, we studied the behavior of aqueous aluminum ions in adsorbed water films on aluminum oxide surfaces. We found that water and metal ion diffusion strongly depends on humidity and location within the water film. The diffusivity of aluminum ions in water films at 30% relative humidity is over 100 times slower than water self-diffusion in bulk. Our findings emphasize the importance of considering interfacial water properties in predictive models of aluminum corrosion.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Thaciana Malaspina, Guilherme Colherinhas, Stephen E. Weitzner, Brandon C. Wood, Eudes Eterno Fileti
Summary: Graphene and graphyne electrodes are important in electrochemical energy storage due to their unique properties. Graphyne, in particular, is more attractive than graphene due to its larger specific surface area, greater electronic mobility, and intrinsic band gap. This study utilizes molecular dynamics simulations to analyze the energetic, structural, spectroscopic, and electronic properties of graphene and graphyne electrodes in vacuum and in the presence of an electrolyte. The electrode-electrolyte interaction is examined in detail for both systems, providing valuable insights on their intermolecular interactions.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Applied
Bamidele Aroboto, Shaohua Chen, Tim Hsu, Brandon C. Wood, Yang Jiao, James Chapman
Summary: This study introduces a universal graph neural network framework called SODAS++, which accurately quantifies the atomistic structural evolution of materials undergoing extreme changes in structure. The study showcases the application of SODAS++ in various complex systems and demonstrates its ability to capture the complex and non-linear pathway of material structure evolution.
APPLIED PHYSICS LETTERS
(2023)
Article
Multidisciplinary Sciences
James Chapman, Tim Hsu, Xiao Chen, Tae Wook Heo, Brandon C. C. Wood
Summary: In this study, the authors used graph neural networks to define a physically interpretable metric for local disorder called SODAS. They applied this methodology to four prototypical examples and compared it to several commonly used methods. The results showed that this method can track the spatio-temporal evolution of interfaces and extract physics-preserved disorder gradients, which can help understand and predict materials performance and failure.
NATURE COMMUNICATIONS
(2023)
Review
Energy & Fuels
Marcus Adams, Craig E. Buckley, Markus Busch, Robin Bunzel, Michael Felderhoff, Tae Wook Heo, Terry D. Humphries, Torben R. Jensen, Julian Klug, Karl H. Klug, Kasper T. Moller, Mark Paskevicius, Stefan Peil, Kateryna Peinecke, Drew A. Sheppard, Alastair D. Stuart, Robert Urbanczyk, Fei Wang, Gavin S. Walker, Brandon C. Wood, Danny Weiss, David M. Grant
Summary: This article discusses the potential and research surrounding metal hydride-based thermal energy storage, with a focus on next generation thermo-chemical energy storage for concentrated solar power. The article presents a site availability model for representing the reaction mechanisms of metal hydrides and extrapolates it to a small pilot scale reactor. The article also explores the important parameter of effective thermal conductivity using a multi-scale model and discusses the potential tuning of high temperature MH materials. The article touches on scale up considerations and provides an example of a novel pilot-scale reactor.
PROGRESS IN ENERGY
(2022)
Article
Electrochemistry
Wessel van den Bergh, Sean Wechsler, Hasala Nadeesini Lokupitiya, Lauren Jarocha, Kwangnam Kim, James Chapman, Kyoung E. Kweon, Brandon C. Wood, Steve Heald, Morgan Stefik
Summary: Intercalation pseudocapacitive materials with tailored extents of amorphization in T-Nb2O5 were investigated. The amorphization of T-Nb2O5 enhanced solid-state diffusion and increased surface-limitations, but stable cycling required crystalline T-Nb2O5.
BATTERIES & SUPERCAPS
(2022)