Article
Chemistry, Multidisciplinary
Christina M. Legendre, A. Claudia Stueckl, Christian P. Sindlinger, Regine Herbst-Irmer, Dietmar Stalke
Summary: The reaction of potassium metal with sulfurtriimide gives a deep blue cage radical that has been previously difficult to obtain. Physical characterization reveals the existence of an unpaired electron delocalized within the cage, coupled with nitrogen and potassium atoms. X-ray structure analysis further elucidates the structural arrangement of the radical cage species.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Medicinal
Olga Yu. Selyutina, Simon V. Babenko, Irina A. Slepneva, Nikolay E. Polyakov, George J. Kontoghiorghes
Summary: Schiff bases and similar molecules forming metal complexes can cause redox effects, which can be influenced by light. Anthraquinones such as doxorubicin and idarubicin are widely used antitumor agents that generate reactive oxygen species (ROS) stimulated by iron and copper ions as well as light. The study investigated the redox activity of the quinone-quinoline chelator Q1 in the presence of iron, copper, and zinc, and also examined the impact of light on these interactions. The findings highlight the role of transition metal ions and Q1 in cyclic redox chain reactions, suggesting the potential of copper- and iron-based chelating agents for anticancer therapy, as well as the use of light for enhancing ROS formation for designing target-specific anticancer drugs for photodynamic therapy.
Article
Chemistry, Multidisciplinary
Iresha D. Herath, Colum Breen, Sarah H. Hewitt, Thomas R. Berki, Ahmad F. Kassir, Charlotte Dodson, Martyna Judd, Shereen Jabar, Nicholas Cox, Gottfried Otting, Stephen J. Butler
Summary: The study introduces a new stable chiral Ln(III) tag, known as C12, for site-specific attachment to proteins, enabling protein probing through various spectroscopic techniques. The C12 tag exhibits enhanced reactivity towards selenocysteine, offering a pathway for selectively tagging selenocysteine in proteins containing cysteine residues. With Tb-III or Tm-III ions, the C12 tag can generate pseudocontact shifts in protein NMR spectra, providing a rigid tether between lanthanide and protein for interpretation of the shifts and distance measurements in double electron-electron resonance experiments. Additionally, the Tb-III complex upon reaction with cysteine or thiol compounds shows a significant enhancement in luminescence quantum yield, making it a sensitive luminescence probe for time-resolved FRET assays and enzyme reaction monitoring.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Instruments & Instrumentation
Shixue Zhang, Shengqi Zhou, Jianqing Qi, Lei Jiao, Xingwei Guo
Summary: A time-resolved electron paramagnetic resonance (TREPR) method with high sensitivity and 40 ns time resolution is developed. By introducing the ultrawide single sideband phase sensitive detection (U-PSD) technique, the sensitivity for detecting broadband transient signals is significantly enhanced. A U-PSD TREPR spectrometer prototype is built, exhibiting excellent performance in monitoring transient radical systems and validating the feasibility of the U-PSD technique. This technique complements established TREPR techniques and provides a powerful tool for studying complex photochemical systems.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Chemistry, Multidisciplinary
Shiny Maity, Brad D. D. Price, C. Blake Wilson, Arnab Mukherjee, Matthieu Starck, David Parker, Maxwell Z. Z. Wilson, Janet E. E. Lovett, Songi Han, Mark S. S. Sherwin
Summary: We propose a time-resolved Gd-Gd electron paramagnetic resonance (TiGGER) technique at 240 GHz to monitor inter-residue distances in proteins' mechanical cycles in solution state. TiGGER utilizes Gd-sTPATCN spin labels with favorable properties, including spin-7/2 EPR-active center, short linker, narrow intrinsic linewidth, and minimal anisotropy at high fields. By applying TiGGER, we observed that the C-terminus and N-terminus of AsLOV2 separate within 1 s upon light activation and relax back to equilibrium with a time constant of approximately 60 s. TiGGER also revealed that the light-induced long-range mechanical motion is decelerated in the Q513A variant of AsLOV2, which is correlated with the slowed relaxation of the optically excited chromophore as reported in recent literature. TiGGER has the potential to complement existing methods for studying triggered functional dynamics in proteins.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Jonghyuk Im, Jongchan Lee, Jung Ho Lee
Summary: This article introduces a two-dimensional time-resolved photo-CIDNP experiment that is suitable for analyzing intrinsically disordered proteins (IDPs). The method was validated and compared with other methods, highlighting the importance of dye charge in the photo-CIDNP process. The study confirmed the surface accessibility of alpha-synuclein (alpha-Syn) and investigated the conformational changes induced by divalent cations.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Michael J. Jaroszewicz, Mengxiao Liu, Jihyun Kim, Guannan Zhang, Yaewon Kim, Christian Hilty, Lucio Frydman
Summary: Nuclear magnetic resonance (NMR) spectroscopy provides detailed information about dynamic processes through line-shape changes under equilibrium conditions. However, studying chemical reactions under off-equilibrium conditions and monitoring the reactants and products in real time can provide additional valuable information. In this study, the authors propose and demonstrate a time-resolved kinetic NMR experiment that combines rapid mixing techniques, continuous flow, and single-scan spectroscopic imaging methods, leading to a 2D spectrotemporal NMR correlation that provides high-quality kinetic information of off-equilibrium chemical reactions.
NATURE COMMUNICATIONS
(2022)
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
Multidisciplinary Sciences
Krassimir N. Bozhilov, Thuy Thanh Le, Zhengxing Qin, Tanguy Terlier, Ana Palcic, Jeffrey D. Rimer, Valentin Valtchev
Summary: The study elucidated the growth mechanism of zeolite crystals through dissolution experiments and structural analysis, revealing the evolving mosaic structure within crystals during growth. Additionally, it showed that dissolution can be used as an effective ex situ technique to uncover details about crystal growth features inaccessible by other methods.
Article
Chemistry, Multidisciplinary
James D. Firth, L. Anders Hammarback, Thomas J. Burden, Jonathan B. Eastwood, James R. Donald, Chris S. Horbaczewskyj, Matthew T. McRobie, Adam Tramaseur, Ian P. Clark, Michael Towrie, Alan Robinson, Jean-Philippe Krieger, Jason M. Lynam, Ian J. S. Fairlamb
Summary: The manganese-mediated borylation of aryl/heteroaryl diazonium salts is a versatile and general synthetic method for synthesizing boronate esters. Determining the responsible Mn species in the photochemical reaction processes is crucial, depending on the presence of a suitable oxidant. This finding has significant potential for numerous processes utilizing Mn-containing carbonyl species in synthetic applications.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Mattia Negroni, Dennis Kurzbach
Summary: A method for real-time NMR of 'hyperpolarized' proteins at residue resolution is proposed using dissolution dynamic nuclear polarization. This approach enables selective detection of hyperpolarized residues, addressing limitations in sensitivity and monitoring speed in protein NMR spectroscopy. Hyperpolarization of solvent and subsequent transfer to target molecules significantly enhances signal in protein NMR, allowing for residue-resolved spectra recording at a high sampling rate.
COMMUNICATIONS CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Yichang Liu, Biyin Shi, Zhao Liu, Renfei Gao, Cunlong Huang, Hesham Alhumade, Shengchun Wang, Xiaotian Qi, Aiwen Lei
Summary: Electrochemical synthesis has rapidly developed in recent years, with the majority of reactions proceeding through a radical pathway. Understanding the properties of radical intermediates is crucial for mechanistic studies and developing new reactions. This study directly researched the formation and structure of sulfonamide N-centered radicals using the time-resolved EPR technique under electrochemical conditions, and successfully applied the results in the discovery of an unactivated C(sp(3))-H arylation reaction.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Physics, Applied
Yoshimitsu Kohama, Toshihiro Nomura, Sergei Zherlitsyn, Yoshihiko Ihara
Summary: This article discusses the time-resolved measurements performed in pulsed high magnetic fields, with a focus on recent technical breakthroughs in measurement and magnetic-field generation techniques. Successful examples of these measurements are presented, and their potential impact on current condensed matter research is discussed, along with the future direction of time-resolved measurements in pulsed magnetic fields.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
A. M. Panich, A. E. Aleksenskii, E. B. Yudina, A. Ya Vul
Summary: We report a novel approach to determine the spatially resolved nuclear spin-lattice relaxation times and NMR line widths in nanomaterials. We applied this approach to detonation nanodiamonds with manganese ions grafted onto their surface and observed the acceleration of nuclear spin-lattice relaxation and broadening of the resonance line. By using spin dephasing experiments, we were able to determine the contribution of paramagnetic Mn2+ ions to the relaxation time and line width of carbon spins at different depths from the diamond surface. Developed specifically for nanodiamonds, this approach can be applied to study distribution of relaxation rates and line broadening, and map magnetic interactions inside various nanoparticles, making it valuable in nanotechnologies.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Michael Rudolph, Robert Tampe, Benesh Joseph
Summary: ATP-binding cassette (ABC) transporters are responsible for transporting various substances across biological membranes. The transition between inward-facing (IF) and outward-facing (OF) conformations of transmembrane domains (TMDs) is crucial for the transport process. This study investigated the functional role of asymmetric nucleotide-binding sites (NBSs) in ABC transporters using pulsed electron-electron double-resonance spectroscopy. The results showed that ATP hydrolysis at the consensus NBS accelerates the reverse transition, and the degenerate NBS may regulate the kinetics of this process.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Physics, Atomic, Molecular & Chemical
Joerg Matysik, Yonghong Ding, Yunmi Kim, Patrick Kurle, Alexandra Yurkovskaya, Konstantin Ivanov, A. Alia
Summary: Photo-CIDNP is a phenomenon of nuclear polarization created by the spin-chemical evolution of spin-correlated radical pairs, which can occur in gases, liquids, and solids. The solid-state photo-CIDNP effect observed under magic-angle spinning has led to the development of photo-CIDNP MAS NMR as an analytical method.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Physics, Atomic, Molecular & Chemical
Konstantin L. Ivanov, Alexandra V. Yurkovskya, Natalya N. Fishman, Aleksey S. Kiryutin, Renad Z. Sagdeev, Hans-Martin Vieth
Summary: CIDNP is a method used to study spin-dependent radical reactions by analyzing NMR signals of their products, with coherent polarization transfer commonly occurring in low magnetic fields. This polarization transfer can efficiently polarize spins that do not acquire CIDNP directly.
APPLIED MAGNETIC RESONANCE
(2022)
Article
Chemistry, Physical
Natalya N. Fishman, Olga B. Morozova, Hans- Martin Vieth, Alexandra V. Yurkovskaya
Summary: This study investigated the reduction of short-lived thymine radicals by tryptophan and N-acetyl tryptophan in aqueous solution across a wide pH range. The results provide insights into the chemical DNA repair process and reveal the reaction kinetics of the reduction reactions.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Veronika V. V. Zlobina, Alexey S. S. Kiryutin, Igor A. A. Nikovskiy, Oleg I. I. Artyushin, Vitaly P. P. Kozinenko, Alexander S. S. Peregudov, Alexandra V. V. Yurkovskaya, Valentin V. V. Novikov
Summary: Parahydrogen-induced nuclear polarization significantly enhances the sensitivity of NMR spectroscopy for medical diagnostics and enables the creation of new probes for magnetic resonance imaging. In this study, unsaturated derivatives of phosphoric acid, propargyl, and allyl phosphates, are proposed as precursors for biocompatible hyperpolarized probes. The polarization transfer to H-1 and P-31 nuclei of their hydrogenation products using ALTADENA, PASADENA, and the PH-ECHO-INEPT+ pulse sequence of NMR spectroscopy resulted in a highly amplified signal, which is among the largest for parahydrogen-induced nuclear polarization transfer to the P-31 nucleus.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Anton. L. L. Popov, Irina. V. V. Savintseva, Taisiya. O. O. Kozlova, Olga. S. S. Ivanova, Ivan. V. V. Zhukov, Alexander. E. E. Baranchikov, Alexandra. V. V. Yurkovskaya, Andrey. A. A. Savelov, Artem. M. M. Ermakov, Nelli. R. R. Popova, Konstantin. L. L. Ivanov, Vladimir. K. K. Ivanov
Summary: Recently, there has been a lot of interest in using human mesenchymal stem cells (hMSCs) as potential therapies for socially significant diseases. However, the biological mechanisms of hMSC action after transplantation are still not well understood. This study reports on the use of heavily gadolinium-doped cerium oxide nanoparticles as a non-toxic and effective theranostic tool for tracking hMSCs using magnetic resonance imaging (MRI).
Article
Chemistry, Physical
Daniil M. Polyukhov, Nikita A. Kudriavykh, Sergey A. Gromilov, Alexey S. Kiryutin, Artem S. Poryvaev, Matvey Fedin
Summary: This study demonstrates the significant potential of metal-organic frameworks (MOF) as OP-conversion catalysts, with a conversion rate constant 145 times higher than industrially used catalysts. This opens up new possibilities for the broad utilization of hydrogen energy, particularly in hydrogen liquefaction and storage.
ACS ENERGY LETTERS
(2022)
Article
Chemistry, Physical
Olga B. Morozova, Natalya N. Fishman, Alexandra V. Yurkovskaya
Summary: This study describes the application of time-resolved chemically induced dynamic nuclear polarization (TR CIDNP) in determining the bimolecular rate constants of triplet quenching. A known quenching rate constant was used as a reference to calculate the desired rate constants. The experiment focused on the quenching reaction of the triplet excited photosensitizer TCBP by histidine-containing compounds.
Article
Chemistry, Physical
Bogdan A. Rodin, Vineeth Thalakottoor, Mathieu Baudin, Nicolas Birilirakis, Geoffrey Bodenhausen, Alexandra V. Yurkovskaya, Daniel Abergel
Summary: Dynamical nuclear polarization (DNP) is a powerful method for polarizing spin-bearing nuclei through transferring electron polarization via microwave irradiation. In this study, the effects of energy transfer and spin temperature between proton (H) and deuterium (D) nuclei in DNP experiments were investigated using protonated or deuterated TEMPOL radicals as polarizing agents. The kinetic parameters and heat capacities of different reservoirs were analyzed to predict the behavior of heteronuclei. Experimental results also provided insights into the hidden spins that are not directly observable due to their proximity to the radicals.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Olga B. Morozova, Alexandra V. Yurkovskaya
Summary: This study investigated the reduction of carnosine radicals in neutral and basic aqueous solutions by l-tryptophan, N-acetyl tryptophan, and the Trp-Gly peptide using time-resolved chemically induced dynamic nuclear polarization (TR CIDNP). The reduction reaction rate constants were found to be influenced by the protonation state of the non-reacting β-alanine residue of carnosine radicals. Clear differences were observed compared to the reduction of histidine and N-acetyl histidine radicals, as well as the reduction of radicals derived from Gly-His, a homologue of carnosine.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Olga B. Morozova, Maksim P. Geniman, Mikhail S. Panov, Natalya N. Fishman, Alexandra V. Yurkovskaya, Peter S. Sherin
Summary: This work investigates the sites of H/H+ transfer within kynurenic acid (KNA) using the time-resolved chemically induced dynamic nuclear polarization (TR CIDNP) method. Density functional theory (DFT) calculations reveal that the KNA anion radical exists in two tautomeric forms, with H/H+ transfer to the carbonyl oxygen of the keto- or oxo-quinolinate forms, and without any significant H/H+ transfer to the nitrogen of the enol form.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Review
Chemistry, Multidisciplinary
Gerd Buntkowsky, Franziska Theiss, Jonas Lins, Yuliya A. Miloslavina, Laura Wienands, Alexey Kiryutin, Alexandra Yurkovskaya
Summary: Nuclear Magnetic Resonance (NMR) spectroscopy and Magnetic Resonance Imaging (MRI) are essential analytical and diagnostic tools with a wide range of applications. However, the low sensitivity of magnetic resonance poses a major challenge in various fields. Parahydrogen induced polarization (PHIP) is a cost-effective method to enhance signal by utilizing chemical reactions. This article provides an overview of PHIP techniques and reviews current literature on method developments and applications.
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)
