Article
Biochemistry & Molecular Biology
Jiri Czernek, Jiri Brus
Summary: The liquid state NMR chemical shift of protons is a commonly used parameter to characterize host-guest complexes. The theoretical counterpart of this parameter, H-1 NMR chemical shielding affected by the solvent (H-1 CS), can provide valuable insights into spatial arrangements of supramolecular systems. Computational analysis can reliably predict H-1 CS values for challenging cases, such as aggregation of aromatic and antiaromatic molecules in solution.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Marina G. Shelyapina, Denis Y. Nefedov, Anastasiia O. Antonenko, Gleb A. Valkovskiy, Rosario I. Yocupicio-Gaxiola, Vitalii Petranovskii
Summary: In this study, the dynamics of water molecules confined in zeolites were investigated using H-1 nuclear magnetic resonance. The results showed that water molecules exhibited complex behavior at different temperatures, including freezing, fast rotation, and translational motion. The activation energy for translational motion was significantly lower than in other materials, indicating that the hierarchical porosity of zeolites affects water diffusion not only through the presence of mesopores, but also the arrangement of meso- and micropores.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Vipin Agarwal, Yusuke Nishiyama, Nghia Tuan Duong
Summary: This study introduces a single-channel H-1 experiment for separating overlapped H-1 peaks and identifying spatially proximal H-1-H-1 correlations. The method allows for efficient polarization transfers and reduces experimental time compared to other techniques.
SOLID STATE NUCLEAR MAGNETIC RESONANCE
(2022)
Article
Chemistry, Analytical
Panteleimon G. Takis, Beatriz Jimenez, Nada M. S. Al-Saffar, Nikita Harvey, Elena Chekmeneva, Shivani Misra, Matthew R. Lewis
Summary: The SMol-ESY technology offers a unique and fully automated computational solution for the assignment and integration of H-1 nuclear magnetic resonance signals from metabolites in challenging matrices containing macromolecules. The approach provides sensitive and reliable quantitation through instant signal deconvolution and straightforward integration, with spectral resolution enhancement and macromolecular signal suppression. The algorithm's performance was evaluated using a large number of NMR serum and plasma spectra, demonstrating high assignment accuracy and reliable quantitation capabilities for targeted metabolites.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Marina G. Shelyapina, Oleg Silyukov, Elizaveta A. Andronova, Denis Y. Nefedov, Anastasiia O. Antonenko, Alexander Missyul, Sergei A. Kurnosenko, Irina A. Zvereva
Summary: The study investigates the proton localization and dynamics in the HCa2Nb3O10·yH2O photocatalyst with different hydration levels using NMR techniques. It reveals the presence of different proton containing species in the interlayer slab depending on the hydration level of the layered perovskite-like oxides.
Article
Chemistry, Applied
Hwabin Jung, Won Byong Yoon, Shingo Matsukawa
Summary: Mechanical property measurements, H-1 T-2 and C-13 T-1 NMR measurements were conducted to evaluate the structural changes of Nori upon moisture uptake. The texture of dry Nori changed from tough to soft upon moisture uptake, indicating an increase in molecular mobility of Nori components. Changes in molecular mobility of proteins and porphyran in Nori were well depicted by the C-13 T-1 measurement.
FOOD HYDROCOLLOIDS
(2022)
Article
Chemistry, Multidisciplinary
Adil Safeer, Fleur Kleijburg, Salima Bahri, David Beriashvili, Edwin J. A. Veldhuizen, Jacq van Neer, Martin Tegelaar, Hans de Cock, Han A. B. Wosten, Marc Baldus
Summary: This article demonstrates the application of solid-state NMR spectroscopy in characterizing the composition and structure of the cell wall of Schizophyllum commune. The study reveals the binding preferences of Cu(II) ions, the antifungal peptide Cathelicidin-2, and glucans to cell wall proteins at different concentrations. The presence of polysaccharides containing N-acetyl galactosamine and hydrophobin proteins SC3 is also discovered, providing insights into the molecular make-up and arrangement of cell walls.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Nasrollah Rezaei-Ghaleh, Jaime Agudo-Canalejo, Christian Griesinger, Ramin Golestanian
Summary: The researchers investigated the molecular diffusivity of reactants, catalyst, and product in a copper-catalyzed click reaction. They developed new NMR diffusion methods and found that while the reactants showed decreased diffusivity over time, the product showed increased diffusivity and the catalyst showed slight diffusion enhancement. This suggests the presence of a relatively large intermediate species with lower diffusivity than the reactants and product.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Environmental Sciences
Chen Xu, Peng Lin, Ravindranath Garimella, Dien Li, Wei Xing, Nicole E. Patterson, Daniel Kaplan, Chris M. Yeager, Patrick G. Hatcher, Peter H. Santschi
Summary: The complex behavior of iodine isotopes and their interaction with natural organic matter pose a challenge for transport models. This study investigates the iodination of humic and fulvic acid and shows how it chemically alters the behavior of these organic matter, potentially affecting their mobility in the environment.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Chemistry, Physical
Ulyana M. Zavorotnaya, Alexei F. Privalov, Celine Wolter, Michael Vogel, Igor I. Ponomarev, Vitaly V. Sinitsyn
Summary: Proton diffusion in the co-PNIS85/15 membrane was investigated at temperatures ranging from 200 to 363 K and different water contents using H-1 SFG NMR diffusometry. At high hydration values, two different activation modes were observed, with the crossover point occurring at approximately 250-260 K. Above the crossover point, the activation energy was similar to that of bulk water. Below the crossover point, the activation energy was higher. At low hydration values, the activation energies for the high-temperature and low-temperature modes converged.
Article
Food Science & Technology
Andrey Sergeev, Srinivas Mettu, Victoria Zaborova
Summary: The study found that adding extruded flour can increase the moisture content of muffins, impacting the mobility of water protons and retrogradation process. The water content in the extruded flour was higher than in the control group, extending the shelf life of the muffins.
JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE
(2021)
Article
Chemistry, Physical
Thiago J. Pinheiro J. dos Santos, Arjun Valiya Parambathu, Carla C. Fraenza, Casey Walsh, Steve G. Greenbaum, Walter G. Chapman, Dilip Asthagiri, Philip M. Singer
Summary: In this study, the effects of temperature and concentration on r(1) of the Gd3+-aqua complex were investigated using molecular dynamics simulations and measurements. By expanding the autocorrelation function and determining the thermal activation energies, new insights into the molecular-scale physics of r(1) were revealed.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Food Science & Technology
Gilbert Ampem, Adam Le Gresley, Martin Grootveld, Declan P. Naughton
Summary: Scientific warnings on the health effects of dietary lipid oxidation products in culinary oils have not received sufficient attention. This study used high-resolution NMR analysis to characterize the modifications to fatty acids and the evolution of LOPs in different oils under thermal stress. The results showed that oils rich in PUFA were more susceptible to thermo-oxidative stress, while ghee and macadamia oil produced low levels of toxic LOPs.
Article
Polymer Science
A. Sivakumar, S. Sahaya Jude Dhas, P. Sivaprakash, Abdulrahman Almansour, Raju Suresh Kumar, Natarajan Arumugam, Karthikeyan Perumal, S. Arumugam, S. A. Martin Britto Dhas
Summary: The study investigated the Raman spectroscopic and electrochemical measurements of manganese ferrite nanoparticles under dynamic shock conditions, revealing the stability of the crystal structure, electro-chemical properties, and electrical conductivity changes. However, there were no crystallographic phase transitions or mixed spinel states observed in the test samples under shock conditions.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS
(2022)
Article
Chemistry, Physical
Ersen Mete, Begum Yilmaz, Deniz Uner
Summary: An experimental and DFT study was conducted to investigate the chemical nature of alpha and beta PdH phases in Pd/TiO2. The results revealed that alpha-PdH states were identified through shielded 1H NMR resonances at frequencies around -30 ppm. DFT estimations showed that similar NMR chemical shifts were due to hydrogen adsorbed at the interface between the metal and surface segregated oxide layers.
APPLIED SURFACE SCIENCE
(2023)
Article
Engineering, Chemical
Simon Calles, Jakob Ulke, Paul Heitjans, Alexander Boerger
Summary: This study presents examples of electrochemical impedance spectroscopy data taken on automotive lithium-ion battery cells, showing that impedance spectra can be measured under load almost coinciding with load-free spectra under certain conditions.
CHEMIE INGENIEUR TECHNIK
(2022)
Article
Chemistry, Organic
Marcus J. Jellen, Xing Jiang, Stefan Benders, Alina Adams, Miguel A. Garcia-Garibay
Summary: Artificial molecular machines are expected to operate in environments where solvent behaviors dramatically change upon confinement into limited spaces, impacting molecules significantly. In this study, an amphidynamic metal-organic framework with barrierless rotators was demonstrated to operate as NMR sensors for solvent viscosity, showing that confined solvents have significantly higher viscosity values compared to bulk solvents. Relaxation times and activation energies for rotational dynamics of solvents in MOFs were also explored, revealing different behaviors compared to those in bulk solvents. Translational diffusion measurements of solvents in MOFs showed intermediate dynamics for the translational motion.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Soeren Lehmkuhl, Simon Fleischer, Lars Lohmann, Matthew S. Rosen, Eduard Y. Chekmenev, Alina Ada, Thomas Theis, Stephan Appelt
Summary: This study demonstrates a different contrast mechanism in MRI by establishing RASER in imaged media. RASER can generate stronger image contrast than conventional MRI by utilizing small local differences in initial population inversion density.
Article
Chemistry, Multidisciplinary
Karin Engelaender, Anton Duchowny, Bernhard Bluemch, Alina Adams
Summary: This study investigated the long-term aging processes of different heating oils and their blends with biofuels. Benchtop nuclear magnetic resonance spectroscopy was found to be an effortless and fast analytical technique for the analysis. It was also discovered that the presence of white and waxlike precipitates at low temperatures can lead to system failure.
Article
Energy & Fuels
Anton Duchowny, Oliver Mohnke, Holger Thern, Pablo Matias Dupuy, Hege Christin Wideroe, Audun Faanes, Anfinn Paulsen, Markus Kueppers, Bernhard Bluemich, Alina Adams
Summary: This study demonstrates that benchtop NMR combined with chemometrics can reliably and quickly quantify complex hydrocarbon-gas mixtures.
Article
Materials Science, Multidisciplinary
Nadja Ahr, Manfred Martin
Summary: The possibility of resistive switching in perovskite-type oxides using the Hebb-Wagner polarization setup is investigated. Numerical simulations and experiments demonstrate that the Hebb-Wagner setup enables bulk resistive switching of perovskite-type oxides without the need for initially high voltages. The effect of other parameters on the switching behavior is also determined.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Anton Duchowny, Johannes Denninger, Lars Lohmann, Thomas Theis, Soeren Lehmkuhl, Alina Adams
Summary: This work demonstrates p-H-2-based SABRE hyperpolarization at pressures up to 200 bar, which is much higher than previously reported. The study shows that increasing pressure enhances signal intensities until reaching a plateau. It is also found that H-2 solubility increases linearly with pressure, indicating that p-H-2 availability is not the limiting factor beyond a certain pressure. Additionally, the use of liquefied ethane and compressed CO2 as removable solvents for hyperpolarization is demonstrated.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Analytical
Sergio Alejandro Ortiz Restrepo, Alina Adams
Summary: Glycols are important chemicals with various applications, but the presence of water can affect their properties. This study introduces a novel method using low-field Nuclear Magnetic Resonance (NMR) spectroscopy to accurately determine water content in glycols. The method is fast, cost-effective, and does not require reagents or calibration data. Results show that the NMR-based approach can accurately quantify water concentration in ethylene glycol (EG) and triethylene glycol (TEG) mixtures, with high agreement with Karl-Fischer titration results.
Article
Biochemical Research Methods
Dennis Woertge, Matthew Parziale, Jan Claussen, Behzad Mohebbi, Siegfried Stapf, Bernhard Bluemich, Matthew Augustine
Summary: The matrix pencil method (MPM) is tested for quantitatively processing multiexponential low-field nuclear magnetic resonance T1 relaxometry data. The data is obtained from T1 saturation recovery curves measured in a highly inhomogeneous magnetic field. Different concentrations of a Gd3+ contrast agent doped in 0.9% brine solutions are used as test liquids. MPM shows superior performance in separating and quantifying relaxation components, as well as exploring the sensitivity to relative contribution of each component and resolving systems with multiple components.
JOURNAL OF MAGNETIC RESONANCE
(2023)
Article
Materials Science, Multidisciplinary
Patrick Bottke, Katharina Hogrefe, Julia Kohl, Suliman Nakhal, Alexandra Wilkening, Paul Heitjans, Martin Lerch, H. Martin R. Wilkening
Summary: The visualization of atomic or ionic jump processes on a nanometer length scale is important for understanding diffusion pathways in solid electrolytes. This study used high-resolution 6Li nuclear magnetic resonance (NMR) spectroscopy to investigate Li+ exchange processes in Li3VF6. The results confirmed the preferred diffusion pathways and provided further insights into ion dynamics between corner-shared Li-bearing polyhedra.
MATERIALS RESEARCH BULLETIN
(2023)
Review
Electrochemistry
Erwin Hueger, Lukas Riedel, Jing Zhu, Jochen Stahn, Paul Heitjans, Harald Schmidt
Summary: Li-Nb-O-based insertion layers are used in Li-ion batteries to protect electrodes and electrolytes and enhance Li transport. This study reviews the suitability of different Li-Nb-O-based compounds for battery operation, especially amorphous LiNbO3 films. Experimental results show that the amorphous LiNbO3 films have higher porosity and better Li diffusivity compared to other similar metal oxides. The films exhibit high reversible capacity and fast cycling, which make them suitable for improved battery performance.
Article
Engineering, Biomedical
Frederik Dreyer, Qing Yang, Belal Alnajjar, Daniel Kruger, Bernhard Blumich, Jens Anders
Summary: This article presents a portable NMR relaxometry system optimized for the point-of-care analysis of body liquids, demonstrating excellent concentration sensitivity and making it an ideal candidate for future biomarker detection.
IEEE TRANSACTIONS ON BIOMEDICAL CIRCUITS AND SYSTEMS
(2023)
Article
Energy & Fuels
Anton Duchowny, Karin Engelander, Bernhard Bluemich, Alina Adams
Summary: Understanding aging phenomena of alternative fuels is crucial due to the introduction of different aging-related phenomena. A novel test rig was designed to simulate real conditions and achieve knowledge gain for fuel aging and additive technology development. The results showed that pure FAME performed well in the realistic setup due to its high polarity preventing deposit accumulation. Insightful information with minimal effort and sample volume was obtained through benchtop 1H Nuclear Magnetic Resonance (NMR) spectroscopy. Conventional fuel and FAME blends were found to lead to system failures and large quantities of deposits.
JOURNAL OF THE ENERGY INSTITUTE
(2023)
Article
Chemistry, Multidisciplinary
Christiane Ader, Jakyu Chun, Han-Ill Yoo, Manfred Martin
Summary: The kinetic unmixing and decomposition of multinary oxides ABO(3) were investigated by treating it as a truly ternary system with defects in all three sublattices and electronic defects. The complete set of transport equations was derived and a numerical solution was obtained to investigate the time-dependence of kinetic unmixing. The results provide predictions for the lifetime of the oxide and the voltage threshold for kinetic decomposition.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Analytical
Anton Duchowny, Sergio Alejandro Ortiz Restrepo, Michael Adams, Ralf Thelen, Alina Adams
Summary: High-pressure NMR spectroscopy is valuable in various fields including energy, chemistry, and biophysics. A novel, simple, and low-cost high-pressure tube design has been developed to improve the signal-to-noise ratio by over 80%.
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)
