Review
Chemistry, Multidisciplinary
Scott R. Docherty, Lukas Rochlitz, Pierre-Adrien Payard, Christophe Coperet
Summary: The review discusses the use of model dehydrogenation catalysts for light alkanes prepared via surface organometallic chemistry, with a specific focus on molecular strategies for deconvoluting complex heterogeneous materials. Challenges associated with proposed reactions and overarching themes observed from systematic studies using model SOMC catalysts are highlighted.
CHEMICAL SOCIETY REVIEWS
(2021)
Article
Chemistry, Physical
Weiyu Wang, Qiang Wang, Yueying Chu, Guodong Qi, Shenhui Li, Jun Xu, Feng Deng
Summary: Alkyne semihydrogenation is a key method for synthesizing stereodefined molecules. The study investigates the stereoselective hydrogenation of propyne to propene using Al2O3-supported Pd-Ag bimetallic catalysts, adjusting properties by altering Pd and Ag components. The higher Ag concentration in Pd-Ag catalysts promotes a stronger pairwise syn-addition to propyne and a higher PHIP effect.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Weiyu Wang, Qiang Wang, Jun Xu, Feng Deng
Summary: Parahydrogen-induced polarization (PHIP) is an NMR hyperpolarization technique that enhances NMR sensitivity. This technique generates hyperpolarization through pairwise addition behavior, making it useful for catalyst characterization and understanding reaction mechanisms. This Perspective provides a comprehensive overview of the heterogeneous PHIP (HET-PHIP) technique and its applications in catalytic hydrogenation. The fundamentals of HET-PHIP are introduced, along with its ability to provide information about catalyst morphology and electronic properties. The paper also discusses advancements in mechanistic understanding achieved using HET-PHIP and the limitations and prospects of this technique.
Article
Chemistry, Physical
Weiyu Wang, Qiang Wang, Jun Xu, Feng Deng
Summary: Parahydrogen-induced polarization (PHIP) is a technique that can increase the NMR sensitivity by several orders. It is a powerful tool to characterize catalyst properties and elucidate reaction mechanisms. In this Perspective, the heterogeneous PHIP (HET-PHIP) technique and its application in catalytic hydrogenation are comprehensively reviewed. The fundamentals of HET-PHIP are introduced and its ability to provide information about catalyst morphology and electronic properties is discussed. The mechanistic understanding of catalytic hydrogenations using HET-PHIP is also discussed.
Article
Chemistry, Multidisciplinary
Tanmoy Mandal, Tapas Kumar Dutta, Sunit Mohanty, Joyanta Choudhury
Summary: The study successfully developed a highly efficient, heterogeneous, and recyclable Pd-NHC catalyst, which shows promise in the field of heterogeneous C-H functionalization where efficient catalysts are still rare.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
A. Prekob, L. Vanyorek, Z. Fejes
Summary: The study found that the BCNT support exhibited higher selectivity towards benzhydrol during the hydrogenation of benzophenone, possibly due to the presence of covalently bonded nitrogen atoms that can inhibit over-hydrogenation processes.
MATERIALS TODAY CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Liang Hu, Guangrong Meng, Jin-Quan Yu
Summary: This study reports the first Pd(II)-catalyzed intermolecular fi-methylene C(sp3)-H arylation of free aliphatic acids using bidentate pyridine-pyridone ligands. The bite angle of the ligand plays a key role in promoting fi-methylene C-H activation of free carboxylic acid. This transformation provides a disconnection for alkylation of arenes with simple aliphatic acids.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Energy & Fuels
Hind Al-shaikh, Jamal Lasri, Julian G. Knight, Soha T. Al-Goul
Summary: Ordered mesoporous silica supported Pd NPs were synthesized and showed notable efficiencies in the hydrolytic production of H2 from NaBH4. The catalyst stabilized by PEG and imidazolium ionic liquid based-[KIT-6] exhibited higher activity compared to its [KIT-6] counterpart.
Article
Chemistry, Multidisciplinary
Oleg G. Salnikov, Alexandra Svyatova, Larisa M. Kovtunova, Nikita Chukanov, Valerii Bukhtiyarov, Kirill Kovtunov, Eduard Y. Chekmenev, Igor Koptyug
Summary: This study presents H-1 hyperpolarized diethyl ether, which can be imaged on any clinical MRI scanner, achieving up to 1.3% nuclear spin polarization through heterogeneous hydrogenation and prolonging its lifetime. This approach has potential applications in anatomy and functional studies.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Alba Santos, Richard J. Lewis, David J. Morgan, Thomas E. Davies, Euan Hampton, Paul Gaskin, Graham J. Hutchings
Summary: The study demonstrates the effectiveness of bifunctional Pd-based catalysts for phenol degradation, with a nearly four-fold increase in catalytic performance achieved by introducing Fe.
CATALYSIS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Oleg G. Salnikov, Dudari B. Burueva, Larisa M. Kovtunova, Valerii I. Bukhtiyarov, Kirill V. Kovtunov, Igor V. Koptyug
Summary: In this study, the mechanism of methylenecyclobutane hydrogenation over titania-supported Rh, Pt, and Pd catalysts was investigated using parahydrogen-induced polarization (PHIP) technique. It was found that the reaction leads to the formation of a mixture of cyclic, linear, and branched compounds, and the temperature has a significant influence on the product composition.
Review
Chemistry, Physical
Mariachiara Miceli, Patrizia Frontera, Anastasia Macario, Angela Malara
Summary: Fast separation and efficient recycling of catalysts are important requirements in catalytic reactions. Traditional methods for catalyst recovery are inefficient and impractical for industrial scale, leading to the current focus on developing new methods for effective separation and recycling.
Article
Chemistry, Multidisciplinary
Yu Tokura, Shibo Xu, Yuki Kojima, Masahiro Miura, Koji Hirano
Summary: A palladium-catalysed, silver-assisted regioselective C2-H alkenylation of benzophospholes with terminal alkenes has been developed, enabling the rapid construction of various benzophosphole-vinylene conjugations. The optical properties of the newly synthesized C2-alkenylated benzophospholes are also investigated.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Xiaolong Zheng, Wendong Liu, Shi Feng, Yongxian Yu, Yingdi Lv, Shengyang Tao
Summary: In this study, polyethyleneimine microcapsules were successfully prepared and their formation process was investigated. The obtained microcapsules showed strong adsorption capacity for Pd2+ and exhibited good catalytic activity and recycling characteristics in the Suzuki coupling reaction.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Multidisciplinary Sciences
Vinson Liao, Maximilian Cohen, Yifan Wang, Dionisios G. Vlachos
Summary: Infrared spectra of adsorbate vibrational modes are accurate and easily obtainable for characterizing single-crystals and large nanoparticles, but not for highly dispersed heterogeneous catalysts composed of single-atoms and ultra-small clusters. In this study, the authors developed a method to generate synthetic IR spectra using data-based approaches and physics-driven surrogate models. They bypassed the vast combinatorial space of clusters by determining viable structures using machine-learned Hamiltonians, genetic algorithm optimization, and grand canonical Monte Carlo calculations. The synthetic spectra were used to predict cluster size distributions and quantify uncertainty in CO adsorption on Pd/CeO2 catalysts.
NATURE COMMUNICATIONS
(2023)
Article
Physics, Atomic, Molecular & Chemical
Dudari B. Burueva, Vitaly P. Kozinenko, Sergey Sviyazov, Larisa M. Kovtunova, Valerii Bukhtiyarov, Eduard Y. Chekmenev, Oleg G. Salnikov, Kirill Kovtunov, Igor Koptyug
Summary: This work demonstrates the transfer of H-1 polarization from parahydrogen to C-13 nuclei in the gas phase using PH-INEPT-based pulse sequences. By experiment and numerical calculations, the optimal inter-pulse delays were determined, showing that the C-13 polarization values using PH-INEPT sequence were higher than those using PH-INEPT+ sequence.
APPLIED MAGNETIC RESONANCE
(2022)
Review
Chemistry, Analytical
Andreas B. Schmidt, C. Russell Bowers, Kai Buckenmaier, Eduard Y. Chekmenev, Henri de Maissin, James Eills, Frowin Ellermann, Stefan Gloeggler, Jeremy W. Gordon, Stephan Knecht, Igor Koptyug, Jule Kuhn, Andrey N. Pravdivtsev, Francesca Reineri, Thomas Theis, Kolja Them, Jan-Bernd Hoevener
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Oleg G. Salnikov, Dudari B. Burueva, Larisa M. Kovtunova, Valerii I. Bukhtiyarov, Kirill V. Kovtunov, Igor V. Koptyug
Summary: In this study, the mechanism of methylenecyclobutane hydrogenation over titania-supported Rh, Pt, and Pd catalysts was investigated using parahydrogen-induced polarization (PHIP) technique. It was found that the reaction leads to the formation of a mixture of cyclic, linear, and branched compounds, and the temperature has a significant influence on the product composition.
Article
Multidisciplinary Sciences
Jabadurai Jayapaul, Sanna Komulainen, Vladimir V. Zhivonitko, Jiri Mares, Chandan Giri, Kari Rissanen, Perttu Lantto, Ville-Veikko Telkki, Leif Schroeder
Summary: Guest capture and release are essential properties of self-assembling nanostructures, with guests potentially transitioning between different environments to escape common spectroscopy techniques. This study uses spin-hyperpolarized Xe-129 hyper-CEST NMR to investigate an iron-based metal organic polyhedron's cavity, revealing unknown signals persisting under various perturbations, likely originating from Xe bound to three Fe-MOP diastereomers inducing steric effects. These findings have implications for selective spin manipulation in CEST MRI agents and processes occurring on a millisecond time scale.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Andrey N. Pravdivtsev, Danila A. Barskiy, Jan-Bernd Hoevener, Igor Koptyug
Summary: This study analyzes the constraints imposed by the topological symmetry on the amplitude of transferred polarization in the process of parahydrogen-induced polarization (PHIP). It is found that in asymmetric systems, heteronuclei can be polarized to the highest extent, while the polarization amplitude decreases in systems with different topological structures. Additionally, the effect of the dipole-dipole-induced spin-order distribution in heterogeneous catalysis or nematic liquid crystals is discussed.
Article
Chemistry, Multidisciplinary
Kristina Sorochkina, Konstantin Chernichenko, Vladimir V. Zhivonitko, Martin Nieger, Timo Repo
Summary: Ortho-phenylene-bridged phosphinoborane (2,6-Cl2Ph)(2)B-C6H4-PCy2 1 can react reversibly with H-2 or H2O, even in the presence of multiple equivalents of water. Addition of parahydrogen to 1 leads to nuclear spin hyperpolarization, confirming the dissociation of 1-H2O to free 1. Computational studies support that the formation of 1-H-2 and 1-H2O from 1 is thermodynamically favored. Unexpectedly, 1-H2O can release molecular hydrogen to form phosphine oxide 1-O, revealing a unique umpolung water reduction mechanism.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
James Eills, Dmitry Budker, Silvia Cavagnero, Eduard Y. Chekmenev, Stuart J. Elliott, Sami Jannin, Anne Lesage, Joerg Matysik, Thomas Meersmann, Thomas Prisner, Jeffrey A. Reimer, Hanming Yang, Igor V. Koptyug
Summary: Magnetic resonance techniques, especially medical magnetic resonance imaging, are widely used in various scientific disciplines and practical applications. The development of spin hyperpolarization has greatly boosted both fundamental and applied magnetic resonance. Hyperpolarization techniques significantly enhance the signal intensity of magnetic resonance, overcoming its low sensitivity and opening up new possibilities for applications.
Article
Biochemistry & Molecular Biology
Bryce. E. E. Kidd, Max. E. E. Gemeinhardt, Jamil. A. A. Mashni, Jonathan. L. L. Gesiorski, Liana. B. B. Bales, Miranda. N. N. Limbach, Roman. V. V. Shchepin, Kirill. V. V. Kovtunov, Igor. V. V. Koptyug, Eduard. Y. Y. Chekmenev, Boyd. M. M. Goodson
Summary: This study examines the potential for enhancing NMR signals of DNA nucleobases using parahydrogen-based hyperpolarization. Signal amplification by reversible exchange (SABRE) and SABRE in Shield Enables Alignment Transfer to Heteronuclei (SABRE-SHEATH) are demonstrated for selected DNA nucleobases. Low H-1 epsilon values (<10) were obtained for solutions of the standard SABRE catalyst and a given nucleobase, likely indicating weak catalyst binding. However, significant natural-abundance enhancement of N-15 signals was achieved for 3-methyladenine and cytosine. These findings provide insight into nucleobase tautomerization and may facilitate the investigation of cellular function and dysfunction.
Article
Physics, Multidisciplinary
Xue Zhang, Abhishek Banerjee, Mahapan Leyser, Gilad Perez, Stephan Schiller, Dmitry Budker, Dionysios Antypas
Summary: The effects of scalar and pseudoscalar ultralight bosonic dark matter were investigated using quartz oscillator frequencies and atomic transitions. Linear interactions were constrained for scalar dark matter in the mass range of 1 x 10-17-8.3 x 10-13 eV, and quadratic interactions were constrained for pseudoscalar dark matter in the mass range of 5 x 10-18-4.1 x 10-13 eV. These constraints improve upon previous direct searches and astrophysical observations.
PHYSICAL REVIEW LETTERS
(2023)
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
Chemistry, Multidisciplinary
Nuwandi M. Ariyasingha, Anna Samoilenko, Jonathan R. Birchall, Md Raduanul H. Chowdhury, Oleg G. Salnikov, Larisa M. Kovtunova, Valerii I. Bukhtiyarov, David C. Zhu, Chunqi Qian, Michael Bradley, Juri G. Gelovani, Igor V. Koptyug, Boyd M. Goodson, Eduard Y. Chekmenev
Summary: Hyperpolarized MRI contrast agents are revolutionizing biomedical imaging. Researchers have demonstrated a low-cost, handheld device for producing hyperpolarized protonated propane gas, which has potential applications in clinical settings.
Correction
Chemistry, Multidisciplinary
Seyma Alcicek, Piotr Put, Adam Kubrak, Fatih Celal Alcicek, Danila Barskiy, Stefan Gloeggler, Jakub Dybas, Szymon Pustelny
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Seyma Alcicek, Piotr Put, Adam Kubrak, Fatih Celal Alcicek, Danila Barskiy, Stefan Gloeggler, Jakub Dybas, Szymon Pustelny
Summary: Nuclear magnetic resonance (NMR) relaxometry is a method that analyzes NMR signals versus the magnitude of the longitudinal field to provide information about molecular environments, even for NMR silent molecules. This study focuses on NMR relaxometry at zero and ultra-low magnetic fields (ZULFs), allowing for the investigation of slow (bio)chemical processes. The authors employ ZULF NMR relaxometry using an atomic magnetometer as a simple and portable tool to analyze chemical solutions and biofluids.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Seyma Alcicek, Erik Van Dyke, Jingyan Xu, Szymon Pustelny, Danila A. Barskiy
Summary: In this work, a novel parahydrogen-induced polarization (PHIP) technique, called PHIP-relay, is optimized to achieve hyperpolarization of a wide range of biochemicals. Polarization transfer from hyperpolarized protons to heteronuclei (15N and 13C) is accomplished using an INEPT sequence and detected using benchtop NMR spectrometers. By optimizing chemical and NMR parameters, a 17,100-fold enhancement of [13C,15N2]-urea signal is achieved compared to the thermal signal at 1T. It is also shown that repeated measurements with shorter exposure to parahydrogen provide a higher effective signal-to-noise ratio compared to longer parahydrogen bubbling.
Review
Chemistry, Multidisciplinary
E. V. Pokochueva, A. I. Svyatova, D. B. Burueva, I. V. Koptyug
Summary: The discovery of nuclear spin isomerism of molecules is a crucial step in establishing the quantum mechanical understanding of the Universe. Despite the challenge in producing sufficient quantities of spin isomers, their unique properties make them promising in various applications, including mechanistic studies of catalytic reactions, biomedical imaging, and investigating the past of the Universe using ortho- and parahydrogen as examples.
RUSSIAN CHEMICAL BULLETIN
(2023)
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)