Article
Chemistry, Multidisciplinary
Yahui Sun, Xiaoyue Zhang, Wei Chen, Jikai Ye, Shunlong Ju, Kondo-Francois Aguey-Zinsou, Guanglin Xia, Dalin Sun, Xuebin Yu
Summary: The study proposes a light-mediated catalytic strategy that utilizes the coupling of photothermal and catalytic effects to achieve reversible hydrogen storage. Experimental results demonstrate that complete hydrogen release is achieved within 7 minutes under light irradiation for NaAlH4 with the catalysis of TiO2@C. The strategy is also applicable to other light metal hydrides and provides an alternative approach to electric heating.
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
N. A. Ali, M. Ismail, Sami-ullah Rather, Hisham S. Bamufleh, Hesham Alhumade, Aqeel Ahmad Taimoor, Usman Saeed
Summary: In this study, the addition of Zn2TiO4 was found to significantly enhance the dehydrogenation rate and properties of NaAlH4. The addition of Zn2TiO4 reduced the initial dehydrogenation temperature by 40-55°C and accelerated the dehydrogenation rate by 10-15 times. It also lowered the dehydrogenation activation energies by 26% and 24% for the first and second dehydrogenation stages, respectively.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
M. Ismail, N. A. Ali, N. A. Sazelee, S. U. Muhamad, S. Suwarno, N. H. Idris
Summary: The effect of cobalt ferrite nanopowder on the dehydrogenation properties of sodium alanate was studied for the first time. The addition of cobalt ferrite significantly reduced the decomposition temperature of sodium alanate and enhanced the hydrogen release rate. This was attributed to the synergistic catalytic effect of new active species formed during the dehydrogenation process.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Manjin Kim, Qinfen Gu, Tanveer Hussain, Yahia Ali, Trevor B. Abbott, Kazuhiro Nogita
Summary: Adding Na to cast Mg-La alloys significantly improves hydrogen absorption kinetics during the first activation cycle. The role of Na in Mg-La alloys has been discussed based on microstructural observations, crystallography, and first principles calculations.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Guannan Qian, Hai Huang, Fuchen Hou, Weina Wang, Yong Wang, Junhao Lin, Sang-Jun Lee, Hanfei Yan, Yong S. Chu, Piero Pianetta, Xiaojing Huang, Zi-Feng Ma, Linsen Li, Yijin Liu
Summary: Incorporating foreign elements into the cathode material is a common practice to enhance battery performance, but the lack of a deep understanding of the underlying mechanism leads to an inefficient trial-and-error process. Our study revealed a facet-dependent dopant segregation effect in Zr-modified single-crystal LiNi0.6Co0.2Mn0.2O2 cathode, showing that a carefully controlled dopant distribution can significantly impact the mesoscale reaction kinetics. This suggests a promising strategy for designing future battery cathodes with improved structural and chemical stability.
Article
Chemistry, Physical
N. A. Ali, M. Ismail, M. M. Nasef, A. A. Jalil
Summary: CoTiO3 synthesised via the solid-state method effectively improves the desorption behavior of NaAlH4, reducing the desorption temperature and increasing the desorption kinetics, potentially serving as a catalyst for hydrogen storage.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Amy Kaczmarowski, Clark Snow, Stephen Foiles, Corbett Battaile, Dane Morgan
Summary: This study investigates the impact of transition metal substitutional dopants on helium binding energies in metal hydrides through high-throughput density functional theory calculations. The study also explores the influence of hydrogen vacancies on helium binding energy near substitutional defects. Results show that some metals strongly bind to helium, potentially affecting helium nucleation and bubble growth, but these beneficial dopants often have low solubility limits.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Energy & Fuels
Noratiqah Sazelee, Nurul Shafikah Mustafa, Muhammad Syarifuddin Yahya, Mohammad Ismail
Summary: Adding 10wt% spherical SrTiO3 catalyst can decrease the onset desorption temperature and enhance the desorption kinetics of NaAlH4. The decrease in apparent activation energy and improvement in desorption properties of NaAlH4 are attributed to the reduction of the physical structure of NaAlH4 by SrTiO3 during ball milling.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Qianli Cai, Xinglong Li, Ertao Hu, Zhongyue Wang, Peng Lv, Jiajin Zheng, Kehan Yu, Wei Wei, Kostya (Ken) Ostrikov
Summary: This study demonstrates substantially enhanced Na+ ion transport and charge transfer kinetics by constructing a non-rectifying titanium carbonitride/nitrogen-doped TiO2 heterostructure, leading to excellent electrochemical performance in lithium-ion batteries and sodium-ion batteries.
Article
Energy & Fuels
Simona E. Hunyadi Murph, Henry Sessions, Kaitlin Coopersmith, Michael Brown, Patrick A. Ward
Summary: Controlled and selective release of hydrogen isotopes from lanthanum-nickel-aluminum (LANA) materials was achieved using an alternating electromagnetic field (AEMF), demonstrating a promising pathway for applications requiring the controlled release of hydrogen and separation of its isotopes through rapid and selective desorption directly heating the LANA material with AEMF.
Article
Chemistry, Multidisciplinary
Lingling Xuan, Thierry Duffar
Summary: This study investigates the dopant valence and ion distributions in ionic crystals during growth, aiming to establish a physico-chemical model for numerical simulation. The Ti-doped sapphire growth is used as an example, and the point defect diffusion-reaction model is applied to simulate the Ti ion distributions. The effect of temperature gradient and growth rate is also examined.
Article
Materials Science, Multidisciplinary
Wei Chen, Lei You, Guanglin Xia, Xuebin Yu
Summary: By utilizing Co-doped nanoporous carbon scaffolds as a structural host, this study successfully enhanced the hydrogen storage performance of NaAlH4 by removing Co nanoparticles to improve the catalytic effect and stability of nanoconfined spaces, achieving lower hydrogen storage temperature and higher cyclic stability.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Emanuel Billeter, Zbigniew Lodziana, Andreas Borgschulte
Summary: In this paper, surface pressure-composition isotherms of the titanium-hydrogen system were measured using operando reflecting electron energy loss spectroscopy (REELS). The measurements were supported by density functional theory calculations, providing a complete picture of the hydrogen-deficient surface of TiH2 as the basis of its high catalytic activity.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
Yan Li, Xiaoqing Song, Yongxin Wang, Haipeng Zhang, Zheng Chen
Summary: By calculating the hydrogen behavior, mechanical, and thermal properties of V-Cr-M ternary alloys, it was found that V-Cr-Ta alloy has the best comprehensive mechanical properties and V-Cr-Ru alloy has the smallest thermal expansion coefficient. The addition of Cu can improve hydrogen permeability and has good mechanical and thermal properties.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
B. P. Akhouri, R. Perween, J. R. Solana
Summary: Monte Carlo simulations are used to obtain the equation of state and internal energy of fluids with Mie n-m potentials, and its performance is tested against a third order perturbation theory. The theory is then applied to tune the potentials for real fluids and achieve accurate fit with experimental data.
MOLECULAR SIMULATION
(2024)
Article
Chemistry, Physical
Malaisamy Veerapandian, Nagarajan Hemavathy, Alagesan Karthika, Jayaraman Manikandan, Umashankar Vetrivel, Jeyaraman Jeyakanthan
Summary: This study investigates the conformational stability and flexibility of SpeB enzyme and its interactions with substrate. The research finds that neutral pH 7 and alkaline pH 11 are the optimal conditions for stable binding between SpeB and substrate.
MOLECULAR SIMULATION
(2024)
Article
Chemistry, Physical
Maipelo Nyepetsi, Olayinka A. Oyetunji, Foster Mbaiwa
Summary: Biodiesel, a potential alternative to fossil-based fuels, has limitations such as high viscosity, pour point, and cloud point. This study used ReaxFF molecular dynamics to investigate the decarboxylation of methyl palmitate using different catalysts. The presence of alpha-NiMoO4 and beta-NiMoO4 accelerated the reactions and resulted in higher quantities of stable products. Ni3Mo catalyst showed an initial rapid formation of products followed by a decrease. All reactions followed first-order kinetics, and the catalysts reduced the activation energies.
MOLECULAR SIMULATION
(2024)
