Article
Chemistry, Physical
Quan Li, Zhuoya Peng, Wenbin Jiang, Liuzhang Ouyang, Hui Wang, Jiangwen Liu, Min Zhu
Summary: A series of Ti-Zr-Cr-Fe alloys have been designed for a metal hydride hydrogen compressor through orthogonal experiments. The effects of substitution and over-stoichiometry on hydrogen storage properties were investigated, with the (Ti0.85Zr0.15)(1.05)Cr1.1Fe0.9 alloy selected for its maximum storage capacity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Metallurgy & Metallurgical Engineering
Ze-ming Yuan, Zhen Qi, Ting-ting Zhai, Hong-zhang Wang, Hai-yan Wang, Yang-huan Zhang
Summary: The effects of La substitution for Ti on the microstructure, hydrogen storage kinetics and thermodynamics of TiFe-type Ti-Fe-Mn-based alloy were investigated. La substitution promotes the formation of micro-defects in the alloys, facilitating hydrogen diffusion and improving hydrogen storage kinetics properties.
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA
(2021)
Article
Chemistry, Physical
M. Dragojlovic, J. Radakovic, K. Batalovic
Summary: This study investigates the effects of various metal dopants on AlH3 and explores their impact on crystal structure, bonding, and hydrogen desorption energy. The results show promising outcomes for Zr, Ti, and Sc doped hydrides.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Ziming Cao, Panpan Zhou, Xuezhang Xiao, Liujun Zhan, Zhinian Li, Shumao Wang, Lixin Chen
Summary: The Ti-Zr-Cr-Fe-V alloys with different compositions exhibit good hydrogen storage properties at moderate working temperatures. Increasing the V content is beneficial for activation kinetics and higher hydrogen storage capacity, but it reduces plateau pressure and increases plateau slope factor. The Zr and Fe content in the alloys also significantly affect hydrogen storage properties.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Metallurgy & Metallurgical Engineering
Bo Cheng, Yunkai Li, Xiaoxi Li, Huibin Ke, Liang Wang, Tangqing Cao, Di Wan, Benpeng Wang, Yunfei Xue
Summary: The crystal structure, microstructure and hydrogen storage performance of a series of high-entropy alloys in the Ti-V-Nb-Cr system were investigated. It was found that one alloy exhibited a high hydrogen storage capacity. The addition of Mn, Fe and Ni elements destabilized the hydrides, further improving the kinetics of hydrogen adsorption and dissociation.
ACTA METALLURGICA SINICA-ENGLISH LETTERS
(2023)
Article
Chemistry, Physical
Toshiaki Fukagawa, Yasuyuki Saito, Akihiro Matsuyama
Summary: The study found that with an increase in x value, the secondary phase of HEAs increased, resulting in lower hydrogen storage capacity and unstable hydrides. After alkaline treatment, the HEA alloy surface changed, leading to increased discharge capacity, enhanced high-rate dischargeability, and cycle performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Zhichao Yu, Wei Zhang, Yongxi Zhang, Yaokun Fu, Ying Cheng, Sanyang Guo, Yuan Li, Shumin Han
Summary: Magnesium hydroxide (MgH2) is a promising material for hydrogen storage, but it has high dehydrogenation temperature and slow sorption kinetics. This study introduces rare earth hydrides and transition metals to improve the de/hydrogenation kinetics of MgH2. The synthesized MgH2-Mg2NiH4-CeH2.73 composite exhibits superior hydrogenation/dehydrogenation characteristics and cycling stability.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Huang Liu, Jingxi Zhang, Chengshang Zhou, Pei Sun, Yong Liu, Zhigang Zak Fang
Summary: This paper investigates the effect of Nb alloying on the microstructure and hydrogen storage properties of Ti-Fe-Zr-Mn-Nbx alloys. The addition of 2% Nb enables a good combination of the hydrogen capacity and activation property, while Zr-rich phases play a critical role in the activation behavior. However, high Nb addition (> 4%) leads to the reduction of Zr-rich phases and deteriorates the activation kinetics. Nb addition also promotes the formation of the TiFe main phase and increases capacities at ambient temperature. The correlations between microstructure and hydrogen storage performance provide insights into tailoring hydrogen storage properties by alloying TiFe with multi-elements.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Yuanfang Wu, Wang Zhao, Lijun Jiang, Zhinian Li, Xiumei Guo, Jianhua Ye, Baolong Yuan, Shumao Wang, Lei Hao
Summary: V-based hydrogen storage alloys are considered promising materials for high hydrogen capacity under ambient conditions. The addition of Fe or Al affects the hydrogen storage capacity and desorption plateau pressure. The relationship between lattice parameters, electron density, and hydrogen capacity is discussed. The optimized 75 V-Ti-15Cr-1Al-1Fe alloy shows high hydrogen storage capacity, pressure, and excellent cyclic performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Pawan K. Soni, A. Bhatnagar, V Shukla, M. A. Shaz
Summary: Graphene templated Ti-Ni-Fe nanoparticles (TieNieFe@Gr) exhibit excellent catalytic effect on the de/re-hydrogenation characteristics of MgH2, lowering the onset desorption temperature and improving cycling performance. Analysis suggests possible electronic exchange between the catalyst and Mg/MgH2. Anchoring on the graphene template prevents agglomeration that would be detrimental to cycling performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Materials Science, Multidisciplinary
Elham Sharifikolouei, Baran Sarac, Alexandre Micoulet, Reinhard Mager, Moyu Watari-Alvarez, Efi Hadjixenophontos, Zaklina Burghard, Guido Schmitz, Joachim P. Spatz
Summary: The hardness of AISI316-Ti stainless steel has been improved by generating an amorphous-nanocrystalline microstructure. The fully amorphous structure was obtained using a modified melt-spinning technique, and the hardness was characterized using thermal analysis and nanoindentation analysis.
MATERIALS & DESIGN
(2022)
Article
Chemistry, Physical
Ziming Cao, Mingyuan Piao, Xuezhang Xiao, Liujun Zhan, Panpan Zhou, Zhinian Li, Shumao Wang, Lijun Jiang, Fen Xu, Lixian Sun, Lixin Chen
Summary: In this study, three series of alloys were prepared and their crystal structural characteristics and hydrogen storage properties were investigated. The results showed that a single C14-Laves phase with homogeneous element distribution existed in all alloys. The hydrogen absorption/desorption plateau of the alloys increased as the Fe, Mn, or Ti content increased. The hydrogen storage capacity of the alloys also correlated negatively with the hydrogen affinity of interstitial sites. Ti0.935Zr0.085Cr1.3Mn0.3Fe0.4 alloy exhibited saturated hydrogenation under 8 MPa at 293 K and dehydrogenation around 24.91 MPa pressure at 363 K with a hydrogen capacity of 1.74 wt%, as well as excellent cycling performance and mere hysteresis. Ti0.92Zr0.10Cr1.0Mn0.6Fe0.4 alloy showed promising hydrogen capacity of 1.86 wt% at 283 K and a dehydrogenation pressure of 27.94 MPa at 363 K, along with satisfactory cycling durability. This study can guide the compositional design of AB2-type hydrogen storage alloys for hydrogen compression application.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Mario Bedrunka, Nils Bornemann, Gerd Steinebach, Dirk Reith
Summary: This paper presents a feasibility study on on-board metal hydride storage systems, highlighting their advantages in replacing counterweights and utilizing heat emissions for energy. The main challenge lies in designing a system that can provide sufficient energy over a long period. The study concludes that using a metal hydride system shows great potential for practical applications in forklifts.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Energy & Fuels
Poonam Parkar, Ajay Chaudhari
Summary: The hydrogen storage properties of Ti-doped B12C6N6 nanocage were investigated using density functional theory, and it was found that Ti doping can enhance the hydrogen storage capacity of the nanocage. The I12 structure met the target set by the U.S. Department of Energy. The negative formation energies indicated that all the structures were thermodynamically favorable, and the calculated vibrational spectra confirmed the stability of the cages.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Optics
Shafqat Hayat, R. M. Arif Khalil, Muhammad Iqbal Hussain, Anwar Manzoor Rana, Fayyaz Hussain
Summary: The study comprehensively investigates the properties of novel hydride perovskites using first principles method, revealing that NiCuH3 may be a more suitable material for hydrogen storage applications.
Article
Chemistry, Physical
M. Dragojlovic, J. Radakovic, K. Batalovic
Summary: This study investigates the effects of various metal dopants on AlH3 and explores their impact on crystal structure, bonding, and hydrogen desorption energy. The results show promising outcomes for Zr, Ti, and Sc doped hydrides.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Multidisciplinary Sciences
Katarina Batalovic, Jana Radakovic, Bojana Paskas Mamula, Bojana Kuzmanovic, Mirjana Medic Ilic
Summary: Theoretical tools or structure-property relations play an important role in developing new hydrogen storage materials. Density functional theory (DFT) provides accurate hydride formation energies, but it is time consuming, hindering experimental behavior modeling. The recent use of graph neural networks (GNN) enables fast prediction of crystal formation energy. Transfer learning is applied to predict hydride formation enthalpy based on the crystal structure of starting intermetallics, achieving excellent accuracy for Mg-containing alloys.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Entomology
Anton Gradisek, Jani Bizjak, Aleksej Popovski, Janez Grad
Summary: The careful control of brood temperature is crucial for the development of social insects. In a study of six bumblebee colonies of common Central European species, it was found that stronger colonies were able to maintain a more stable brood temperature over longer periods and colonies with more than 25 workers had a lower standard deviation of brood temperature.
JOURNAL OF APICULTURAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Marina M. Maletic, Ana M. Kalijadis, Vladimir Lazovic, SneZana Trifunovic, Biljana M. Babic, Alesandra Dapcevic, Janez Kovac, Marija M. Vukcevic
Summary: N-doped TiO2/carbon composites with different nitrogen content were prepared and characterized. It was found that N doping improved the adsorption capacity but decreased the photocatalytic efficiency. However, TiO2/CN0.05 composite obtained under specific conditions showed high efficiency in removing pollutants.
JOURNAL OF THE SERBIAN CHEMICAL SOCIETY
(2023)
Article
Computer Science, Interdisciplinary Applications
David Susic, Shabbir Syed-Abdul, Erik Dovgan, Jitendra Jonnagaddala, Anton Gradisek
Summary: This study evaluated the performance of machine learning algorithms in predicting the survival of colorectal cancer patients 1 to 5 years after diagnosis and identified the most important variables. The results showed that machine learning algorithms can predict the survival probability of colorectal cancer patients and can be used to assist decision-making in clinical care management.
COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
(2023)
Article
Chemistry, Physical
Sefa Emre Sunbul, Kursat Icin, Bojana Paskas Mamula, Jana Radakovic, Sultan Ozturk, Katarina Batalovic
Summary: This study focuses on the formation of Ti substituted Mg2Ni alloys, which are a promising hydrogen storage material. The alloys and ribbons were successfully prepared and characterized. The hydrogen sorption properties and atomic-scale influences of Ti dopant were studied. The results showed that an increase in Ti dopant led to the destabilization of the hydrides.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Food Science & Technology
Tamara Tasic, Vedran Milankovic, Katarina Batalovic, Stefan Breitenbach, Christoph Unterweger, Christian Fuerst, Igor A. Pasti, Tamara Lazarevic-Pasti
Summary: This study shows that carefully tuned viscose-derived activated carbon fibers can efficiently remove pesticides from liquid samples, even in complex matrices. The selected materials are not affected by complex matrices of real samples and can be regenerated multiple times without performance losses. Adsorptive removal of food contaminants can effectively improve food safety and quality, unlike other methods that negatively affect the nutritional value of food products. Data-based models can guide the synthesis of novel adsorbents for desired applications in food processing.
Article
Public, Environmental & Occupational Health
Vito Janko, Nina Rescic, Aljosa Vodopija, David Susic, Carlo De Masi, Tea Tusar, Anton Gradisek, Sophie Vandepitte, Delphine De Smedt, Jana Javornik, Matjaz Gams, Mitja Lustrek
Summary: One key task in the early fight against the COVID-19 pandemic was to plan non-pharmaceutical interventions to reduce the spread of the infection while limiting the burden on the society and economy. With more data on the pandemic being generated, a framework was developed to help policy-makers plan the best combination of non-pharmaceutical interventions and to change them over time. The framework used a hybrid machine-learning epidemiological model to forecast infection trends, aggregated socio-economic costs, and employed a multi-objective optimization algorithm to find and evaluate various intervention plans. The proposed intervention plans generally outperformed real-life plans in terms of both infection numbers and intervention costs.
FRONTIERS IN PUBLIC HEALTH
(2023)
Article
Health Care Sciences & Services
David Susic, Lea Bombac Tavcar, Miha Lucovnik, Hana Hrobat, Lea Gornik, Anton Gradisek
Summary: Postpartum anemia is a common and persistent public health issue that negatively affects maternal mood and wellbeing. This study explores the use of machine-learning algorithms to reliably forecast parameters related to patient wellbeing, such as depression and fatigue. The results show that the models outperform baseline predictions and have the potential to improve the detection and management of postpartum depression and fatigue.
Article
Energy & Fuels
Katarina Batalovic, Jana Radakovic, Bojana Kuzmanovic, Mirjana Medic Ilic, Bojana Paskas Mamula
Summary: By applying machine learning model and high-throughput screening, the study finds that Mg-containing intermetallic compounds have great potential in hydrogen storage, thermal energy storage, and lithium conversion electrode applications, contributing to the transition to clean energy. Furthermore, the stability of Mg-containing hydrides can be tailored by alloying, enhancing their hydrogen storage performance. The research outcomes provide guidance for the development and application of novel materials.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Engineering, Environmental
Aleksandar Krstic, Aleksandar Lolic, Miljana Mirkovic, Janez Kovac, Tamara Minovic Arsic, Biljana Babic, Ana Kalijadis
Summary: The synthesis of carbon cryogel, cryogel doped with nitrogen, and both nitrogen and sulfur co-doped carbon cryogels was studied for the removal of pharmaceuticals from water. Co-doped samples showed higher surface area and maximum adsorption capacity, making them potentially effective adsorbents.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Article
Materials Science, Multidisciplinary
Yu Liu, Xiao Tong, V. N. Ivanovski, Zhixiang Hu, Denis Leshchev, Xiangde Zhu, Hechang Lei, Eli Stavitski, Klaus Attenkofer, V. Koteski, C. Petrovic
Summary: By using various research methods, this study observes that intercalation of Cu and Ni in vdW materials can suppress CDW and enhance electronic correlations in the conducting states. Moreover, intercalation leads to lattice expansion and changes in the metal atom composition, which crucially influences the emergence of superconductivity.
Proceedings Paper
Chemistry, Analytical
Ajda Tusevski, Anton Gradisek, Drago Strle
Summary: In this article, the selectivity improvements of a vapor trace detection system (VPDS) are investigated. By using an array of differently functionalized comb capacitive sensors and machine learning algorithms, a method for increased selectivity is proposed.
2022 IEEE INTERNATIONAL SYMPOSIUM ON OLFACTION AND ELECTRONIC NOSE (ISOEN 2022)
(2022)
Article
Chemistry, Physical
Diego H. P. Souza, Terry D. Humphries, Yu Liu, Anton Gradisek, Anita M. D'Angelo, Craig E. Buckley, Mark Paskevicius
Summary: Hydridoborate salts are promising candidates for solid-state electrolytes in the development of solid-state batteries. Different hydrated LiB11H14 samples show variations in ionic conductivity and oxidative stability. The addition of an ionic liquid or liquid electrolyte at the interface improves the contact between the solid-state electrolyte and the lithium electrode.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Materials Science, Multidisciplinary
Yu Liu, Aifeng Wang, V. N. Ivanovski, Qianheng Du, V Koteski, C. Petrovic
Summary: We report thermoelectric studies on FeS1-xSex superconducting single crystals, which exhibit high irreversibility fields and critical current density comparable to materials with higher superconducting critical temperatures. Substituting selenium in FeS results in significant improvements in Tc/Tf ratio and effective mass, indicating an increase in electronic correlation of the bulk conducting states. First-principle calculations show an increase in the density of states at the Fermi level in FeS0.94Se0.06 compared to FeS, which is related to both iron and chalcogen-derived electronic states.
