Article
Chemistry, Physical
Noemi Leick, Nicholas A. Strange, Andreas Schneemann, Vitalie Stavila, Karl Gross, Nancy Washton, Amy Settle, Madison B. Martinez, Thomas Gennett, Steven T. Christensen
Summary: This study utilizes nanoencapsulation and chemical additives simultaneously to modify borohydrides by using atomic layer deposition (ALD). The use of trimethylaluminum and water in the ALD process significantly improves the low-temperature H2 capacity and desorption kinetics of magnesium borohydride, while suppressing the release of diborane. These results suggest the potential of ALD as a method to functionalize solid-state H2 storage materials.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Xuancheng Wang, Xuezhang Xiao, Jiaguang Zheng, Zhouming Hang, Wenping Lin, Zhendong Yao, Meng Zhang, Lixin Chen
Summary: The study shows that ball-milling magnesium borohydride with titanium nano-particles results in enhanced hydrogen release, improved dehydrogenation kinetics, and lower activation energy. The catalyzed magnesium borohydride also exhibits high reversibility during partial dehydrogenation.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Inorganic & Nuclear
Noemi Leick, Ba L. Tran, Mark E. Bowden, Thomas Gennett, Tom Autrey
Summary: This study investigated the thermal stability of coordination complexes formed between different glymes with Mg(BH4)(2), revealing diverse phase transitions, speciations, and decomposition pathways despite their structural similarities.
DALTON TRANSACTIONS
(2022)
Article
Engineering, Environmental
Zhi Zhang, Dongqiang Gao, Jiaguang Zheng, Ao Xia, Qingbo Zhang, Li Wang, Liuting Zhang
Summary: It has been discovered that VF4 nanoparticles anchored on 2D Mxene Ti3C2 effectively catalyze the hydrogen storage process of Mg(BH4)2, leading to lower release temperatures and higher hydrogen desorption. The interaction between VF4@Ti3C2 and Mg(BH4)2 produces VH2.01 and metallic Ti, which act as active species to improve hydrogen storage performance in Mg(BH4)2.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Yujie Lv, Yifan Jing, Bao Zhang, Yingxue Li, Guanglin Xia, Xuebin Yu, Pengru Huang, Haixiang Huang, Bogu Liu, Jianguang Yuan, Ying Wu
Summary: This study investigates the introduction of MXenes as catalysts into Mg(BH4)2 to improve its hydrogen storage properties. The addition of 30 wt% MXenes significantly lowers the dehydrogenation temperature of Mg(BH4)2 and enhances its dehydrogenation rate and capacity. Theoretical calculations and experimental analysis reveal the important role of electron transfer and dehybridization effects at the Mg(BH4)2/MXenes interfaces in improving the dehydrogenation properties.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Nanoscience & Nanotechnology
Jianguang Yuan, Haixiang Huang, Zan Jiang, Yujie Lv, Bogu Liu, Bao Zhang, Youhua Yan, Ying Wu
Summary: By introducing Ni/MWCNTs catalyst into Mg(BH4)(2), the hydrogen desorption rates were significantly improved, and the 95M@5NiMWCNTs sample showed the best hydrogen storage performance.
ACS APPLIED NANO MATERIALS
(2021)
Article
Chemistry, Physical
Nicholas A. Strange, Noemi Leick, Sarah Shulda, Andreas Schneemann, Vitalie Stavila, Andrew S. Lipton, Michael F. Toney, Thomas Gennett, Steven T. Christensen
Summary: Magnesium borohydride is a promising material for hydrogen storage, but its slow dehydrogenation kinetics and formation of intermediate polyboranes limit its application in clean energy technologies. This study presents a novel approach of modifying the physicochemical properties of magnesium borohydride by adding reactive molecules in the vapor phase. The effects of four different molecules on the additive-Mg(BH4)(2) interaction and hydrogen release at lower temperatures are examined. The results demonstrate the efficacy of this approach and provide a new path for additive-based modification of hydrogen storage materials.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Robert T. Bell, Nicholas A. Strange, Noemi Leick, Vitalie Stavila, Mark E. Bowden, Tom S. Autrey, Thomas Gennett
Summary: The use of an organic borohydride salt additive, tetramethylammonium borohydride (TMAB), has been shown to enhance the chemical stability and thermal cyclability of Mg(BH4)(2) melt. This finding is significant for applications in hydrogen storage and magnesium battery technologies.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
H. X. Huang, B. G. Liu, Y. J. Lv, W. Lv, J. G. Yuan, Y. Wu
Summary: The study introduces a facile method of using Mg95Ni5 to suppress the release of ammonia completely in the Mg(BH4)(2)center dot 2NH(3) system. The composite exhibits the best hydrogen desorption kinetics when Mg(BH4)(2)center dot 2NH(3) and Mg95Ni5 hydride are combined in a mass ratio of 2:1.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Energy & Fuels
Nurul N. Sulaiman, Mohammad Ismail, Sharifah N. Timmiati, Kean L. Lim
Summary: This study investigated the preparation of the LiAlH4 + Mg(BH4)2 combined system using ball milling technique, revealing superior hydrogen storage performance compared to individual components. The addition of TiF3 significantly enhanced hydrogen storage properties by reducing the initial decomposition temperature and improving isothermal absorption/desorption kinetics. The catalytic role of TiF3 facilitated interactions between Mg(AlH4)2, MgH2, and LiBH4, enhancing de/hydrogenation performance of the destabilized system.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Iffat H. Nayyar, Bojana Ginovska, Mark Bowden, Gary Edvenson, Ba Tran, Tom Autrey
Summary: The thermodynamic properties of key compounds formed in the release and uptake of hydrogen by magnesium borohydride have been investigated using solid-state density functional theory calculations. The effects of cell-size and zero-point energy corrections on the entropies were analyzed. Experimental validation for the predicted chemical shifts of various compounds was provided. The reversible hydrogen storage characteristics of MgB2H6 and Mg-3(B3H6)(2) were discussed.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Jianguang Yuan, Jinting Chen, Haixiang Huang, Yujie Lv, Bogu Liu, Zhongyu Li, Bao Zhang, Wei Lv, Ying Wu
Summary: In this study, Mg(BH4)(2) was synthesized by the ion exchange method, and Mg(BH4)(2) and NaBH4 composites with different amounts of NdF3 were prepared by mechanical milling. The results show that NdF3 significantly improves the dehydrogenation kinetics and promotes the dehydrogenation reaction process of the composites.
PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL
(2021)
Article
Energy & Fuels
Muhammad Amirul Nawi Ahmad, Noratiqah Sazelee, Nurul Amirah Ali, Mohammad Ismail
Summary: This review paper summarizes the latest research on additive-enhanced Mg(BH4)(2) for solid-state H-2 storage, discussing its impact on H-2 storage performance and addressing future prospects and challenges.
Article
Chemistry, Inorganic & Nuclear
Ba L. Tran, Tamara N. Allen, Mark E. Bowden, Tom Autrey, Craig M. Jensen
Summary: The effects of various glymes on the thermolysis of Mg(BH4)(2) and H-2 release are dependent on their concentrations and identities. Selective formation of Mg(B10H10) was observed with an equivalent of monoglyme and 0.25 equivalent of tetraglyme.
Review
Nanoscience & Nanotechnology
Li Ren, Yinghui Li, Ning Zhang, Zi Li, Xi Lin, Wen Zhu, Chong Lu, Wenjiang Ding, Jianxin Zou
Summary: With the urgent need to find green, low-cost, and high-efficiency energy resources due to the depletion of fossil fuels and global warming, hydrogen has been considered as a potential alternative. However, effective and safe hydrogen storage techniques are now becoming a bottleneck for the hydrogen economy. Magnesium-based hydrogen storage materials have garnered interest due to their high storage capacity, low cost, and excellent reversibility. Nano-structuring has proven to be an effective strategy to enhance the thermodynamic and kinetic properties of these materials.
NANO-MICRO LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Yongli Wang, Kyle Michel, Yongsheng Zhang, C. Wolverton
Article
Materials Science, Multidisciplinary
Jeff W. Doak, Kyle Jay Michel, C. Wolverton
JOURNAL OF MATERIALS CHEMISTRY C
(2015)
Article
Chemistry, Multidisciplinary
Logan Ward, Kyle Michel, Chris Wolverton
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2015)
Article
Materials Science, Multidisciplinary
Jordan O'Mara, Bryce Meredig, Kyle Michel
Article
Materials Science, Multidisciplinary
Kyle Michel, Bryce Meredig
Article
Materials Science, Multidisciplinary
Logan Ward, Kyle Michel, Chris Wolverton
PHYSICAL REVIEW MATERIALS
(2017)
Article
Computer Science, Interdisciplinary Applications
Kyle Jay Michel, C. Wolverton
COMPUTER PHYSICS COMMUNICATIONS
(2014)
Article
Chemistry, Physical
Kyle Jay Michel, Vidvuds Ozolins
JOURNAL OF PHYSICAL CHEMISTRY C
(2011)
Article
Chemistry, Physical
Kyle Jay Michel, Vidvuds Ozolins
JOURNAL OF PHYSICAL CHEMISTRY C
(2011)
Article
Chemistry, Physical
Kyle Jay Michel, Vidvuds Ozolins
JOURNAL OF PHYSICAL CHEMISTRY C
(2011)
Article
Chemistry, Physical
Kyle Jay Michel, Yongsheng Zhang, C. Wolverton
JOURNAL OF PHYSICAL CHEMISTRY C
(2013)
Article
Materials Science, Multidisciplinary
Kyle Jay Michel, Vidvuds Ozolins
Article
Materials Science, Multidisciplinary
Yongsheng Zhang, Yongli Wang, Kyle Michel, C. Wolverton
Article
Chemistry, Physical
Kyle Jay Michel, Vidvuds Ozolins
JOURNAL OF MATERIALS CHEMISTRY A
(2014)
Article
Nanoscience & Nanotechnology
Jie Zhang, Xiaoyang Chen, MingJian Ding, Jiaqiang Chen, Ping Yu
Summary: This study enhances the compositional inhomogeneity of relaxor ferroelectric thin films to improve their dielectric temperature stability. The prepared films exhibit a relatively high dielectric constant and a very low variation ratio of dielectric constant over a wide temperature range.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xiaoyu Chen, Ranran Zhang, Hao Zou, Ling Li, Qiancheng Zhu, Wenming Zhang
Summary: Polyaniline-manganese dioxide composites exhibit high conductivity, long discharge platform, and stable circulation, and the specific capacity is increased by providing additional H+ ions to participate in the reaction.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xutao Huang, Yinping Chen, Jianjun Wang, Gang Lu, Wenxin Wang, Zan Yao, Sixin Zhao, Yujie Liu, Qian Li
Summary: This study aims to establish a novel approach to better understand and predict the behavior of materials with multi-scale lamellar microstructures. High-resolution reconstruction and collaborative characterization methods are used to accurately represent the microstructure. The mechanical properties of pearlite are investigated using crystal plasticity simulation and in-situ scanning electron microscopy tensile testing. The results validate the reliability of the novel strategy.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Cheng Chen, Fanchao Meng, Jun Song
Summary: This study systematically investigated the unfaulting mechanism of single-layer interstitial dislocation loops in irradiated L12-Ni3Al. The unfaulting routes of the loops were uncovered and the symmetry breaking during the unfaulting processes was further elucidated. A continuum model was formulated to analyze the energetics of the loops and predict the unfaulting threshold.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Darshan Bamney, Laurent Capolungo
Summary: This work investigates the formation of adjoining twin pairs (ATPs) at grain boundaries (GBs) in hexagonal close-packed (hcp) metals, focusing on the co-nucleation (CN) of pairs of deformation twins. A continuum defect mechanics model is proposed to study the energetic feasibility of CN of ATPs resulting from GB dislocation dissociation. The model reveals that CN is preferred over the nucleation of a single twin variant for low misorientation angle GBs. Further analysis considering GB character and twin system alignment suggests that CN events could be responsible for ATP formation even at low m' values.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Bing Han, Zhengqian Fu, Guoxiang Zhao, Xuefeng Chen, Genshui Wang, Fangfang Xu
Summary: This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Akib Jabed, Golden Kumar
Summary: This study demonstrates that cryogenic rejuvenation promotes homogeneous-like flow and increases ductility in metallic glass samples. Conversely, annealing has the opposite effect, resulting in a smoother fracture surface.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xin Ji, Yan Chong, Satoshi Emura, Koichi Tsuchiya
Summary: A heterogeneous microstructure in Ti-15Mo-3Al alloy with heterogeneous distributions of Mo element and omega(iso) precipitates has achieved a four-fold increase in tensile ductility without a loss of tensile strength, by blocking the propagation of dislocation channels and preventing the formation of micro-cracks.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Amit Samanta, Prasanna Balaprakash, Sylvie Aubry, Brian K. Lin
Summary: This study proposes a combined large-scale first principles approach with machine learning and materials informatics to quickly explore the chemistry-composition space of advanced high strength steels (AHSS). The distribution of aluminum and manganese atoms in iron is systematically explored using first principles calculations to investigate low stacking fault energy configurations. The use of an automated machine learning tool, DeepHyper, speeds up the computational process. The study provides insights into the distribution of aluminum and manganese atoms in systems containing stacking faults and their effects on the equilibrium distribution.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Guowei Zhou, Yuanzhe Hu, Zizheng Cao, Myoung Gyu Lee, Dayong Li
Summary: In this work, a physics-constrained neural network is used to predict grain-level responses in FCC material by incorporating crystal plasticity theory. The key feature, shear strain rate of slip system, is identified based on crystal plasticity and incorporated into the loss function as physical constitutive equations. The introduction of physics constraints accelerates the convergence of the neural network model and improves prediction accuracy, especially for small-scale datasets. Transfer learning is performed to capture complex in-plane deformation of crystals with any initial orientations, including cyclic loading and arbitrary non-monotonic loading.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Pengfei Yang, Qichang Li, Zhongying Wang, Yuxiao Gao, Wei Jin, Weiping Xiao, Lei Wang, Fusheng Liu, Zexing Wu
Summary: In this study, the HER performance of Ru-based catalysts is significantly improved through the dual-doping strategy. The obtained catalyst exhibits excellent performance in alkaline freshwater and alkaline seawater, and can be stably operated in a self-assembled overall water splitting electrolyzer.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ilias Bikmukhametov, Garritt J. Tucker, Gregory B. Thompson
Summary: Depositing a Ni-1at. % P film can facilitate the formation of multiple quintuple twin junctions, resulting in a five-fold twin structure and a pentagonal pyramid surface topology. The ability to control material structures offers opportunities for creating novel surface topologies, which can be used as arrays of field emitters or textured surfaces.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Zening Yang, Weiwei Sun, Zhengyu Sun, Mutian Zhang, Jin Yu, Yubin Wen
Summary: Multicomponent oxides (MCOs) have wide applications and accurately predicting their thermal expansion remains challenging. This study introduces an innovative attention-based deep learning model, which achieves improved performance by using two self-attention modules and demonstrates adaptability and interpretability.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: This study attempts to address the gap in cooling rates between thin film deposition and bulk metallic glass (BMG) casting by correlating the glass-forming range (GFR) determined from combinatorial materials chips (CMCs) with the glass-forming ability (GFA) of BMG. The results show that the full-width at half maximum (FWHM) of the first sharp diffraction peak (FSDP) is a good indicator of BMG GFA, and strong positive correlations between FWHM and the critical casting diameter (Dmax) are observed in various BMG systems. Furthermore, the Pearson correlation coefficients suggest possible similarities in the GFA natures of certain BMG pairs.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Mike Schneider, Jean-Philippe Couzinie, Amin Shalabi, Farhad Ibrahimkhel, Alberto Ferrari, Fritz Koermann, Guillaume Laplanche
Summary: This work aims to predict the microstructure of recrystallized medium and high-entropy alloys, particularly the density and thickness of annealing twins. Through experiments and simulations, a database is provided for twin boundary engineering in alloy development. The results also support existing theories and empirical relationships.
SCRIPTA MATERIALIA
(2024)