Article
Chemistry, Physical
Piotr Izak, Mateusz Biel, Joanna Mastalska-Poplawska, Pawel Janik, Piotr Mortka, Piotr Lesiak
Summary: This article analyzes the possibility of modifying BC powder with magnesium hydroxide and evaluates its impact on the powder's properties and extinguishing efficiency through various tests. The results show that the addition of Mg(OH)(2) deteriorates the powder's rheological properties but increases the energy of the chemical decomposition reaction and heat removal from the fire. These findings are important for the development of new types of extinguishing powders.
Article
Engineering, Electrical & Electronic
Zein K. Heiba, Lutfi Arda, Nurcan Dogan, Ozgul Karatas, Mohamed Bakr Mohamed
Summary: The sol-gel technique was used to synthesize Er2-xCoxO3 mixed oxides with varying Co concentrations. Rietveld analyses showed single phase nanoparticles up to x = 0.1, with Co3O4 phase appearing for x >= 0.2. The magnetic analysis revealed super-paramagnetism as the reason for S-shaped hysteresis loops and non-zero magnetic moments, with both Mr and Ms increasing with higher Co+2 concentrations.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Daisuke Urushihara, Toru Asaka, Maho Harada, Sayaka Kondo, Masanobu Nakayama, Masataka Ogino, Eiji Owaki, Koichiro Fukuda
Summary: The crystal structure of U-phase, a type of calcium-aluminate layered double hydroxides (Ca-Al LDHs), was determined and revealed that the significant displacement of Ca2+ sites in the octahedra is a common structural characteristic of Ca-Al LDHs.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Sen Shao, Jingkai Bi, Pengyue Gao, Guangtao Liu, Mi Zhou, Jian Lv, Yu Xie, Yanchao Wang
Summary: In this study, it was found that Ca(OH)(2) can remain stable under high pressures, with two different structures proposed. The high-pressure phases of Ca(OH)(2) are predicted to be stable against decomposition into CaO and H2O under certain pressure and temperature conditions.
Article
Chemistry, Physical
Nicolas Bouliez, Jerome Andrieux, Rodica Chiriac, Francois Toche, Jean-Claude Crivello, Bruno Gardiola, Sophie Cazottes, Florence Robaut, Rafael Cury, Olivier Dezellus
Summary: Tungsten heavy alloys (Co-Ni-W) of different compositions were prepared and heat treated, revealing a new intermetallic phase. The evolution of phase equilibria with temperature helps to achieve agreement with high temperature data.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Ceramics
Toshihiro Isobe, Yuri Adachi, Sachiko Matsushita, Akira Nakajima
Summary: This paper investigates the effect of Ti substitution on the thermal expansion behavior of Zr2-xTixS0.9P2O12-δ, finding that Ti has two effects: reduction of the lattice constant and inhibition of the phase transition. Ti showed a solid solubility limit of approximately x=0.7 in Zr2-xTixS0.9P2O12-δ, leading to two types of compounds with different thermal expansion behaviors.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Masato Takeuchi, Tadateru Kikuchi, Atsushi Kondo, Ryo Kurosawa, Junichi Ryu, Masaya Matsuoka
Summary: The dehydration behavior of Ca(OH)2 was studied and typical absorption bands in the NIR region were observed. The hydration behavior of CaO with H2O and D2O vapor was also investigated. However, the formation of CaCO3 due to CO2 adsorption could not be disregarded.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Masato Takeuchi, Tadateru Kikuchi, Atsushi Kondo, Ryo Kurosawa, Junichi Ryu, Masaya Matsuoka
Summary: The dehydration behavior of Ca(OH)2 was analyzed using near-infrared (NIR) and mid-infrared spectroscopy. The hydration behavior of CaO with H2O and D2O vapor was also investigated. The formation of CaCO3 due to CO2 adsorption on the CaO surface could not be disregarded during the evaluations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
M. Daroonparvar, A. Helmer, A. M. Ralls, A. K. Kasar, M. U. Farooq Khan, P. L. Menezes, M. Misra, S. Shao, R. K. Gupta
Summary: Cold sprayed commercially pure Al-based coatings were applied on Mg-based alloys at different N2 gas temperatures. The porosity percentage of the coatings decreased and the flattening ratio increased as the N2 gas temperature decreased, due to in-situ tamping densification. This resulted in a noticeable reduction in wear rate of the Al-based coatings.
Article
Thermodynamics
Maria Betania de Freitas-Marques, Barbara Caroline Rodrigues Araujo, Pedro Henrique Reis da Silva, Christian Fernandes, Wagner da Nova Mussel, Rita de Cassia de Oliveira Sebastiao, Maria Irene Yoshida
Summary: Molecularly imprinted polymers (MIPs) are used to enhance selectivity in solid-phase extraction, with synthetic MIPs composed of 2-vinyl pyridine, ethylene glycol dimethacrylate, toluene, and azobisisobutyronitrile. The study investigates the non-isothermal interactions between MIP and the antimalarial drug lumefantrine, identifying a specific thermal event for the compound. Activation energies for compound formation and conversion process were determined, with significant contributions from the Avrami-Erofeev kinetic model.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Applied
Giada Beltrami, Francesco di Renzo, Ilaria Parodi, Alberto Alberti, Maria De Lourdes Guzman-Castillo, Francois Fajula, Emmanuelle Suard, Annalisa Martucci
Summary: For the first time, real-time thermal activation of NH4-omega zeolite was investigated using in situ synchrotron X-ray powder diffraction combined with neutron diffraction. The study revealed structural changes during activation, distribution of acid sites, and the number and location of Bronsted sites in the deuterated omega, providing insights into framework interactions.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Pharmacology & Pharmacy
Jocelyn M. Jimenez Cruz, Cornelis P. Vlaar, Torsten Stelzer, Vilmali Lopez-Mejias
Summary: This study investigates the polymorphic behavior of a small molecule dual inhibitor, revealing the existence of two polymorphs and identifying the thermodynamically stable form. Analyzing the structure and conformation of these forms, along with the Hirshfeld surface analysis, shows the importance of probing possible polymorphs in early development of organic molecules.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2021)
Article
Chemistry, Multidisciplinary
Vitezslav Heger, Josef Kopp, Vit Prochazka, Petr Novak
Summary: Iron(II) oxalate has attracted renewed interest due to its application in lithium-ion batteries. This study investigates the dehydration process of α-FeC2O4·2H2O and β-FeC2O4·2H2O polymorphs using X-ray powder diffraction, Mossbauer spectroscopy, and scanning electron microscopy.
Article
Biochemistry & Molecular Biology
Izabela Jendrzejewska, Robert Musiol, Tomasz Goryczka, Ewa Pietrasik, Joanna Klimontko, Josef Jampilek
Summary: X-ray powder diffraction and thermal analysis are solid-state techniques that can be used to identify and quantify chemical compounds. In this study, 31 dietary supplements were analyzed to confirm the presence of iron compounds claimed by the manufacturers, and the influence of excipients on peak shapes and positions was observed.
Article
Polymer Science
Gianpiero Gallo, Ana Mihanovic, Igor Roncevic, Robert Dinnebier, Hrvoj Vancik
Summary: The crystal and molecular structure of poly(1,4-phenyleneazine-N,N-dioxide) obtained from 1,4-dinitrosobenzene polymerization was investigated using X-ray powder diffraction and DFT calculations. The electronic structure analysis revealed that the polymer possesses wide-bandgap semiconductor properties with a high thermal stability. Photolysis of the polymer at cryogenic temperatures yields monomers which can re-polymerize at higher temperatures, demonstrating a reversible photo-thermal cycle.
Article
Physics, Condensed Matter
A. Jbeli, N. Zeiri, N. Yahyaoui, P. Baser, M. Said
Summary: The electronic and optical properties of CdSe/ZnSe semiconductor core/shell quantum dots with hydrogenic donor impurity were investigated theoretically. The perturbation and variational methods were used to calculate the binding energy, photoionization cross-section, polarizability, and diamagnetic susceptibility of the excited impurity under various conditions. A significant stark shift in the binding energy was observed under the influence of an external electric field.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Rahat Batool, Tariq Mahmood, Sajid Mahmood, Abdul Aziz Bhatti
Summary: This study investigates the effects of alkali metal doping (Na, K, Cs) on MAPbI3 through compositional engineering. The results show that doping Na, K, and Cs can improve the phase stability, thermodynamic stability, and optical absorption of MAPbI3.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
N. A. N. M. Nor, M. A. H. Razali, W. H. A. W. K. Annuar, N. N. Alam, F. N. Sazman, N. H. M. Zaki, A. S. Kamisan, A. I. Kamisan, M. H. Samat, A. M. M. Ali, O. H. Hassan, B. U. Haq, M. Z. A. Yahya, M. F. M. Taib
Summary: This study investigates the potential of quaternary chalcogenides semiconductors as thin film solar cell absorbers using density functional theory (DFT) and density functional theory plus Hubbard U (DFT + U) approach. The results show that by applying Hubbard U terms, the electronic band gaps can be accurately predicted, providing valuable insights for finding cost-effective new thin film solar cell materials.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Ashwani Kumar, Anuj Kumar, Mohaseen S. Tamboli, Mohd Ubaidullah, J. Jayarubi, S. K. Tripathi
Summary: In this study, lead-based perovskite solar cells are replaced by bismuth-based perovskite cells to overcome their instability and toxicity. CsBi3I10 perovskite films are fabricated using a modified drop-casting process, and the effects of post-annealing temperature on the morphological, structural, and optical properties are investigated. The photovoltaic performance of the cells without a hole transport layer is also quantitatively evaluated.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yang Gao, Shu-Ming Chen, Shuo Cao, Shang-Zhou Zhang, Philippe Djemia, Qing-Miao Hu
Summary: This study investigates the phase stability, elastic modulus, and hardness of ternary nitride Ti1-xAlxN. It is found that the hardness increases with the Al content x. The cubic B1 structure is more stable for x < about 0.75, while the hexagonal structure (B4) is more stable for x > about 0.75. The composition dependent hardness and phase decomposition contribute to the convex shaped hardness curve of Ti1-xAlxN.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Fengqi Wang, Qinyan Ye, Xulin He, Kun Luo, Xiaolong Ran, Xingping Zheng, Cheng Liao, Ru Li
Summary: This report uses rigorous calculations based on density functional theory to study the piezoelectric and elastic properties of wurtzite aluminum nitride (w-AlN) with single- and co-alloying by Hf (or Zr) and Sc. The research finds that the (HfSc)0.375Al0.625N and (ZrSc)0.375Al0.625N with stable wurtzite phase have a large piezoelectric coefficient d33 of 49.18 pC/N and 47.00 pC/N, respectively. However, the piezoelectric voltage constant g33 and electromechanical coupling constant k233 of HfAlN, ZrAlN, HfScAlN, and ZrScAlN are smaller than that of ScAlN, which is attributed to the large dielectric constant epsilon 33 of Hf (or Zr) alloying samples. Furthermore, the calculations of internal parameter u and bond angle alpha elucidate the brittle-to-ductile transformation in alloying w-AlN crystal structure. Electronic structure calculations show that the bandgap decreases almost linearly with the increase of alloying concentration, and the Hf (or Zr) alloying compounds become n-type semiconductors due to the existing high-charge states.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
S. R. Athul, K. Arun, S. Swathi, U. D. Remya, Andrea Dzubinska, Marian Reiffers, Nagalakshmi Ramamoorthi
Summary: The magnetic and magnetocaloric characteristics of Ho6FeSb2 have been studied. The compound exhibits two second-order ferromagnetic transitions, enabling hysteresis-free magnetocaloric effect across a wide temperature range. The alloy has high relative cooling power and magnetoresistance, making it suitable for hysteresis-free magnetocaloric applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Reena Sharma, Neelam Hooda, Ashima Hooda, Satish Khasa
Summary: A polycrystalline double perovskite La2CoMnO6 sample was prepared and its structural, dielectric and magnetic properties were investigated. The sample exhibited complex structures and magnetic behavior, and showed good conductivity and dielectric performance. Its multi-domain magnetic structure suggests its suitability for memory device applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Shubha Dubey, Jisha A. Abraham, Kumud Dubey, Vineet Sahu, Anchit Modi, G. Pagare, N. K. Gaur
Summary: This study investigates the optoelectronic, thermodynamic, thermoelectric, and mechanical stability properties of RhTiP Half Heusler semiconductors. The results show that RhTiP is a non-magnetic material with confirmed mechanical stability. It is found to be an indirect-bandgap semiconductor with a good Seebeck coefficient. This study suggests that RhTiP has promising applications in the thermoelectric and optoelectronic fields.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Xun Xie, Jiong-Ju Hao, Hong-Wei Yang
Summary: This work presents a multilayer film structure that uses optical resonance to prepare highly efficient and saturated red, green, and blue transmittance colors. Numerical simulations and analysis show that the structure can produce R, G, and B colors with a purity comparable to standard RGB colors, while maintaining efficient transmission efficiency and obtaining a rich variety of structural colors. Additionally, a metallic interlayer is introduced to selectively suppress resonances in the short-wavelength region, improving the purity of the red color. The study also investigates the effect of the incidence angle on color purity and transmission efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yueqiang Zhao
Summary: Solubility property is of great interest in chemical, physical, pharmaceutical, material, and environmental sciences. Understanding the intrinsic reason behind solubility behavior is a fascinating task. The theoretical relation between binary mutual solubility and liquid-liquid interfacial tension has been derived, where the partitioning of solute molecules between two coexisting liquid phases is determined by the transfer free energy per unit segment for a chain-like solute molecule expressed in terms of solute-solvent interfacial tension. This general theory of solubility is in good agreement with experimental results for binary mutual solubility and molar transfer free energy of solute molecules.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Osama K. M. Bashiar, R. E. Kroon, H. C. Swart, R. A. Harris
Summary: ZnO thin films with near-infrared emission were successfully fabricated using pulsed laser deposition under vacuum conditions, without the need for additional gases or implantation methods. The NIR emission was hypothesized to be caused by defects in the ZnO film due to high energy particle impacts on the sample surface.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
O. Stognei, A. Berezutskii, I. Anisimov, A. Deryabin
Summary: The influence of ZrOn matrix stoichiometry on the electrical and magnetoresistive properties of Fe-Zr-O nanocomposites has been studied. It was found that the magnetoresistive effect is not observed in composites with oxygen lack, while composites with oxygen excess show magnetoresistive effect and increased resistivity. Magnetoresistivity in composites with oxygen lack only appears after heat treatment. These results can be explained by the difference in the density of localized states in the oxide matrix of the composites and the ratio between two types of conductivity.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Mehmet Bayirli, Aykut Ilgaz, Orhan Zeybek
Summary: The present study aims to understand the relationship between impedance characteristics and fractal behaviors. By producing neat and carbon nanotube doped composite specimens, the researchers investigated the electrical properties and surface heteromorphology using Nyquist plots and fractal analysis.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
M. I. Khan, Saddam Hussain, Muhamad Saleem, Fatimah Mohammed Alzahrani, Muhammad Siddique, M. S. Hassan, Allah Ditta Khalid, Munawar Iqbal
Summary: The sol-gel method was used to deposit Ti-doped MAPbBr3 films on FTO-glass substrates with different doping ratios (0%, 4%, and 6%). XRD analysis confirmed the cubic structure of all films, and the 4% Ti-doped film exhibited a large grain size, low band gap energy, and high refractive index. Solar cells fabricated using the 4% Ti-doped MAPbBr3 film showed improved performance in terms of current density, open circuit voltage, fill factor, and efficiency.
PHYSICA B-CONDENSED MATTER
(2024)