Article
Chemistry, Applied
Christhian Irineu Dias Pereira, Camila Fabiano de Freitas, Thais Lazzarotto Braga, Gustavo Braga, Renato Sonchini Goncalves, Andre Luiz Tessaro, Jane Martha Graton Mikcha, Noboru Hioka, Wilker Caetano
Summary: Curcumin has pharmacological effects but poor absorption and low bioavailability in clinical trials due to its hydrophobic nature, leading to controversies in spectroscopic characterization and self-aggregation processes. The study found that in water-ethanol mixtures, monomers predominate at 50% water, while self-aggregation occurs above 75% water. Molecular modeling and chemometric analysis revealed the presence of dimers even at 30% water content.
Article
Chemistry, Physical
Neil J. Stewart, Hitomi Nakano, Shuto Sugai, Mitsushi Tomohiro, Yuki Kase, Yoshiki Uchio, Toru Yamaguchi, Yujirou Matsuo, Tatsuya Naganuma, Norihiko Takeda, Ikuya Nishimura, Hiroshi Hirata, Takuya Hashimoto, Shingo Matsumoto
Summary: A cost-effective synthetic pathway for high-yield hydrogenation precursor was developed, with the trans-selectivity of the hydrogenation reaction elucidated using density functional theory simulations. The study successfully demonstrated the generation of hyperpolarized [1-C-13]fumarate through a simple PHIP set-up, allowing for ex vivo detection in murine liver tissue homogenates and in vivo MR spectroscopy and imaging in a murine model of acetaminophen-induced hepatitis.
Article
Chemistry, Physical
Wiktor Zierkiewicz, Anna Grabarz, Mariusz Michalczyk, Steve Scheiner
Summary: The research focused on the feasibility of using PHIP technology for MRI of fumarate metabolism, developing a cost-effective and high-yield synthetic pathway for hydrogenating ADC. The trans-selectivity of the hydrogenation reaction of ADC using a ruthenium-based catalyst was elucidated. The experimental results demonstrated the generation of sufficiently polarized [1-C-13]fumarate using a simple PHIP setup, which was used for detecting hyperpolarized C-13 malate in murine liver tissue and for in vivo C-13 MR spectroscopy and imaging in a mouse model of acetaminophen-induced hepatitis.
Article
Chemistry, Physical
D. Yamini, Suvetha J. Rani
Summary: Raman measurements and DFT calculations were conducted on binary liquid mixtures of acetone with methanol, Isopropyl alcohol (IPA), and carbon tetrachloride (CT). The results showed that the self-association of acetone is disrupted at higher dilution, and a blue shift in the Raman spectrum occurs in acetone-carbon tetrachloride mixtures during dilution.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Natalia Lipkovska, Valentyna Barvinchenko, Olga Kazakova
Summary: The adsorption behavior of curcumin on fumed silica from water/ethanol solutions was studied. The adsorption value of curcumin increased with increasing water content in ethanol solutions and correlated with the dielectric constant. Quantum chemical calculations showed that the polarity of the solvent affected the polarizing effect on the curcumin molecule and resulted in a redistribution of electron density. The adsorption isotherm of curcumin belonged to the L4-type and the spectral characteristics of adsorbed and precipitated curcumin were used to distinguish two types of curcumin in the solid phase. These findings are important for the preparation of silica and curcumin-based nanocomposites.
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2023)
Article
Engineering, Biomedical
Daijiro Yanagisawa, Tomoko Kato, Hiroyasu Taguchi, Nobuaki Shirai, Koichi Hirao, Takayuki Sogabe, Takami Tomiyama, Keizo Gamo, Yukie Hirahara, Masaaki Kitada, Ikuo Tooyama
Summary: The study found that the keto form of curcumin derivative Shiga-Y51 shows strong binding activity for A beta oligomers, but has scant affinity for A beta fibrils. Imaging mass spectrometry revealed the blood-brain barrier permeability of Shiga-Y51 and its accumulation in the brain, making it a promising seed compound for developing imaging probes and therapeutic agents targeting A beta oligomers in Alzheimer's disease.
Article
Chemistry, Multidisciplinary
Yongyao Liu, Zhonglin Li, Yuejiang Han, Zhenyu Ji, Hengbo Li, Yuanzheng Liu, Yifan Wei, Cheng Chen, Xiang He, Mingyan Wu
Summary: Recently, metal-organic frameworks (MOFs) have been receiving increasing attention as cathode materials for aqueous zinc-ion batteries (ZIBs). In this study, a novel MOF, Ni-Ndi-trz, was synthesized through a solvothermal method. The designed MOF showed a stable structure and exhibited high initial specific capacity and excellent cycling stability as the cathode material for ZIBs. The reversible interconversion behavior of the Ndi core of Ni-Ndi-trz was also revealed during the interaction with Zn2+ ions.
Article
Chemistry, Physical
Hao Hu, Yinglong Tao, Di Wang, Changlai Li, Qichao Jiang, Yuexin Shi, Jian Wang, Jinping Qin, Shijian Zhou, Yan Kong
Summary: In this study, four different covalent organic frameworks (COFs) were constructed to investigate the relationship between the composition of COFs and the photocatalytic performance for hydrogen peroxide (H2O2) evolution. The results showed that the optimized COF, 1H-COF, exhibited the highest ordered structure and the highest H2O2 yield among the four COFs.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Spectroscopy
Olga Kazakova, Natalia Lipkovska, Valentyna Barvinchenko
Summary: The tautomerism of curcumin in water-ethanol solutions in the presence of fumed silica was investigated. The study found that the enol tautomeris exists at high ethanol concentrations and shifts towards the keto tautomer with increased water content. Quantum-chemical calculations confirmed the thermodynamic favorability of the curcumin keto tautomer in aqueous solution. The adsorption behavior of curcumin tautomers on fumed silica was also examined.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Applied
Zhenhui Wei, Yongsheng Zhang, Xin Zhang
Summary: New pyrene-based beta-diketone dyes were synthesized to prepare pure ketonic and enolic form dyes. Enolic form dye single crystals with a bent-shaped pi-system structure were obtained. Supramolecular polymer single crystals were formed from the enolic dye through pi-stacking. White-light emission and green-light emission could be reversibly interconverted between the ketonic and enolic forms. The white-light emission of the ketonic dye solution showed transient color changes upon excitation by pulse light.
Article
Chemistry, Multidisciplinary
Shuhong Wu, Chao Li, Ying Wang, Yan Zhuang, Yi Pan, Na Wen, Shuo Wang, Zizhong Zhang, Zhenxin Ding, Rusheng Yuan, Wenxin Dai, Xianzhi Fu, Jinlin Long
Summary: The keto-switched photocatalysis of covalent organic frameworks (COFs) for efficient H-2 evolution was achieved by engineering the local structure and component of the skeletal building blocks at a molecular level. The formation of keto-injectors in the COFs led to improved conduction band levels and an inhomogeneous charge distribution, resulting in a strong intramolecular built-in electric field. The photocatalytic H-2 evolution rates were significantly enhanced by alkaline post-treatment.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Nanoscience & Nanotechnology
Shaoxiong Yang, Xia Li, Yu Qin, Yi Cheng, Wenwen Fan, Xianjun Lang, Liyan Zheng, Qiue Cao
Summary: By modulating the reaction conditions, different stacking models of COF isomers can be obtained, leading to different generation efficiencies of ROS due to tautomerism involved in the reaction process.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Liubov Chuchkova, Sven Bodenstedt, Roman Picazo-Frutos, James Eills, Oleg Tretiak, Yinan Hu, Danila A. Barskiy, Jacopo de Santis, Michael C. D. Tayler, Dmitry Budker, Kirill F. Sheberstov
Summary: Photochemically-induced dynamic nuclear polarization (photo-CIDNP) allows for nuclear spin ordering through light irradiation. In this study, low-field photo-CIDNP measurements were performed using a magnetically shielded fast-field-cycling NMR setup with atomic magnetometers detecting Larmor precession. The observed NMR linewidths were unexpectedly 5 times narrower than those in high-field NMR, and were systematically affected by light irradiation during acquisition. Magnetometer-detected photo-CIDNP spectroscopy enables direct observation of spin-chemistry processes in the range of a few nT to tens of mT.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Engineering, Chemical
Xiaoqin Zhuang, Jun Hao, Xiaoshan Zheng, Daijun Fu, Peiying Mo, Yuhan Jin, Ping Chen, Haijin Liu, Guoguang Liu, Wenying Lv
Summary: Tp-DGCl, a guanidinium-based COF with a beta-ketoenamine linkage, shows great potential for broad applications in wastewater remediation due to its easy synthesis, high selectivity for Cr (VI), excellent adsorption capacity (360.02 mg/g calculated by Langmuir model), and good recyclability (five cycles).
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Chemistry, Physical
Rongbin Wei, Zhongjie Fei, Mehdi Yoosefian
Summary: Density functional theory studies were conducted to investigate the effect of molecular structures and mechanisms of proton transfer in nitrotriazolone complexes. The results showed a significant decrease in the proton transfer barrier height for dehydrated nitrotriazolone and keto-enol tautomer reactions compared to non-water-assisted processes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Physics, Atomic, Molecular & Chemical
Laura Wienands, Franziska Theiss, James Eills, Lorenz Roesler, Stephan Knecht, Gerd Buntkowsky
Summary: Parahydrogen-induced polarization is a hyperpolarization method that enhances nuclear magnetic resonance signals through chemical reactions involving the para spin isomer of hydrogen gas. This method allows for biomolecules to be hyperpolarized for real-time in vivo metabolic imaging. Current research on the efficient hyperpolarization of fumarate has not been thoroughly investigated, leading to inconsistencies in chosen reaction conditions in previous work seeking higher reaction rates and yields.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Thermodynamics
Markus M. Hoffmann, Joseph D. Kealy, Torsten Gutmann, Gerd Buntkowsky
Summary: The study investigated the physical properties of polyethylene glycol (PEG) and its binary mixtures, finding a linear relationship between temperature and density, while viscosity and self-diffusion coefficients followed the Arrhenius law. Calculated molar volumes largely agreed with measured values, viscosities were mostly within a few percent, and self-diffusion coefficients were generally within 20% of measurement uncertainty.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)
Review
Biochemistry & Molecular Biology
Mateusz Wozny, Adam Mames, Tomasz Ratajczyk
Summary: This article presents the recent developments in the synthesis and properties of new triptycenes, and compares them with earlier pivotal works. The focus of the research includes new synthesis methods and regioselective synthesis of highly sterically demanding systems, as well as the application of triptycenes in catalysis. Additionally, the article discusses the relationship between triptycene structures and their properties, as well as their unique properties and molecular interactions in the liquid and solid states.
Article
Biochemistry & Molecular Biology
Nargiz B. Asanbaeva, Larisa Yu Gurskaya, Yuliya F. Polienko, Tatyana Rybalova, Maxim S. Kazantsev, Alexey A. Dmitriev, Nina P. Gritsan, Nadia Haro-Mares, Torsten Gutmann, Gerd Buntkowsky, Evgeny Tretyakov, Elena G. Bagryanskaya
Summary: This study investigates the feasibility of using ferrocene-substituted 1,3-diazetidine-2,4-diimine couplers as DNP agents. The results show that the spiro-substituted nitroxyl biradicals have a higher DNP gain compared to the methyl-substituted biradicals. The difference in temperature dependence of the EPR spectra is explained using DFT calculations. The effects of nucleophiles and substituents on the ring-opening reaction and the influence of ring opening on the exchange interaction are also examined.
Article
Chemistry, Multidisciplinary
Kristina Kristinaityte, Adam Mames, Mariusz Pietrzak, Franz F. Westermair, Wagner Silva, Ruth M. Gschwind, Tomasz Ratajczyk, Mateusz Urbanczyk
Summary: Comprehensive real-time in situ monitoring of chemical processes is essential for a deep understanding and efficient design of chemicals and materials. This work demonstrates the simultaneous utilization of two novel time-resolved NMR methods, allowing the follow-up of diffusion coefficient and monitoring of specific products with excellent resolution. By employing both methods and comparing their results, the validation of the second method is unequivocally achieved.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Markus M. Hoffmann, Matthew D. Too, Nathaniel A. Paddock, Robin Horstmann, Sebastian Kloth, Michael Vogel, Gerd Buntkowsky
Summary: In this study, molecular dynamics simulations were performed to investigate polyethylene glycol (PEG)200. Force fields for describing ethylene glycol oligomers were tested and adjusted to improve the agreement with experimental properties. The simulations revealed that PEG200 is a random mixture of its ethylene glycol oligomer components.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Sonja C. Doeller, Torsten Gutmann, Markus Hoffmann, Gerd Buntkowsky
Summary: This study investigates the behavior of four different commercially available polarizing agents using 1-octanol as the analyte. By establishing a relative method to compare the direct and indirect polarization transfer pathways, it is possible to directly compare the polarization efficacy for different radicals and different parts of the 1-octanol molecule. The results highlight the importance of hydrophilicity in the polarization transfer process.
SOLID STATE NUCLEAR MAGNETIC RESONANCE
(2022)
Article
Chemistry, Physical
Andrey N. Pravdivtsev, Kai Buckenmaier, Nicolas Kempf, Gabriele Stevanato, Klaus Scheffler, Joern Engelmann, Markus Plaumann, Rainer Koerber, Jan-Bernd Hoevener, Thomas Theis
Summary: Nuclear spin hyperpolarization allows for real-time observation of metabolism and intermolecular interactions in vivo. The use of 1-13C-pyruvate as a hyperpolarized tracer is being evaluated in clinical trials and shows promise as a molecular imaging agent. However, the search for a simple, fast, and efficient hyperpolarization technique is ongoing.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Biochemistry & Molecular Biology
Nargiz B. B. Asanbaeva, Sergey A. A. Dobrynin, Denis A. A. Morozov, Nadia Haro-Mares, Torsten Gutmann, Gerd Buntkowsky, Elena G. G. Bagryanskaya
Summary: This paper reports on the DNP efficiency at a high magnetic field for two water-soluble biradicals resistant to reducing media. The radicals were obtained in the form of quaternary ammonium salts to achieve water solubility. The influence of hyperfine interaction and exchange interaction on the DNP effect was determined through EPR spectroscopy.
Article
Chemistry, Physical
Christian Bruns, Rainer Ringleb, Isabell Prediger, Frederike Euchner, Johannes Bernarding, Markus Plaumann
Summary: The interest in fluorinated substances has grown due to their diverse properties. NMR spectroscopy, an important analytical method, provides information on the structure and environment changes. Temperature plays a crucial role in most studies, however, measuring it is challenging in certain cases. Despite the difficulties, the potential applications in chemical reactors and medical fields are significant. Polyfluorinated molecules with separate 19F MR signals prove to be ideal for temperature determination without the need for a reference substance. The sensitivity of temperature is influenced by fluorine position and chemical environment.
Article
Chemistry, Physical
Felix Mysegaes, Peter Spiteller, Johannes Bernarding, Markus Plaumann
Summary: Magnetic resonance spectroscopy (MRS) and MR imaging (MRI) have become powerful non-invasive tools for medical diagnosis and therapy. F-19 MR shows promising potential due to the properties of fluorine atom and negligible background signals. This article reports the influence of solvent and structure on the temperature sensitivity of F-19 NMR signals and demonstrates the possibility of determining local temperature using chemical shift sensitivity.
Article
Chemistry, Multidisciplinary
Felix Mysegaes, Pauline Voigt, Peter Spiteller, Isabell Prediger, Johannes Bernarding, Markus Plaumann
Summary: F-19-based magnetic resonance is a powerful tool for overcoming difficulties in standard H-1 MR. We synthesized and characterized two Tm3+ complexes, including cell viability and stability tests. Both complexes allow temperature detection without a reference compound, with ΔC-T values of -0.2319 ppm K-1 and -0.2122 ppm K-1.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Adam Mames, Sylwia Jopa, Mariusz Pietrzak, Tomasz Ratajczyk
Summary: Signal Amplification by Reversible Exchange (SABRE) and hydrogenable Parahydrogen Induced Polarization (hPHIP) can enhance weak NMR signals, expanding the range of NMR applications. Using an N-heterocyclic carbene Ir-based catalyst, simultaneous SABRE and hPHIP was achieved for a compound with an N-donor site and an acetylene triple bond. The interplay between SABRE and hPHIP can be manipulated, with the hPHIP effect almost completely suppressed while stable SABRE is observed in subsequent consecutive experiments. These results have the potential to increase the number of parahydrogen hyperpolarizable molecules.
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
