Article
Polymer Science
Biao Zhang, Guillaume Sudre, Guilhem Quintard, Anatoli Serghei, Julien Bernard, Etienne Fleury, Aurelia Charlot
Summary: This study mixed RAFT-made poly(ionic liquid) chains with an ionic liquid, leading to homogeneous and transparent solutions due to similarities in structure and polarity. Rheology investigation showed that the solution's viscoelastic properties can be finely tuned by adjusting the chain molar mass and concentration. The high ionic conductivity and multi-scale local homogeneity of the PIL/IL solutions were confirmed through X-ray scattering experiments and microscopy analysis.
Article
Chemistry, Physical
Ksenia S. Egorova, Marina M. Seitkalieva, Alexey S. Kashin, Evgeniy G. Gordeev, Anna V. Vavina, Alexandra V. Posvyatenko, Valentine P. Ananikov
Summary: This study investigated the cytotoxicity of chemically relevant imidazolium PILs with different alkyl side chains and compared it with aprotic analogues. The results highlighted the role of anion type in determining the cytotoxicity of ILs with short alkyl side chains. Even low-toxic PILs showed harmful effects on eukaryotic cells when used as cryopreservation agents, and the studied IL/water mixtures tended to form simple solid hydrates due to the weak amphiphilic properties of imidazolium cations with short alkyl side chains.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Energy & Fuels
Jiankang Gu, Xiaozhe Ren, Shu Li, Tianying Yan
Summary: In this study, molecular dynamics simulations were conducted to investigate the effect of functionalized derivatives in ionic liquid electrolytes on the transference number of lithium ions. The results showed that the inclusion of certain derivatives, such as [EMC-MIMTFSI], could enhance the transference number of lithium ions, leading to improved performance in lithium-ion batteries.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Amit Pandey, S. Hashmi, G. Salunkhe, Velavan Kathirvelu, Keisham S. Singh, Rohit Singh Chauhan, Arijit Sengupta
Summary: A novel diamide ligand, 5-bromo-N1, N3-diisopropylisophthalamide, was synthesized and characterized, and its extraction mechanism with uranyl ions in various ionic liquid families was studied. Changing the ionic liquid system can achieve different extraction mechanisms, predominantly influenced by the cations of the ionic liquids. The study found that the back extraction of uranyl ions from the ionic liquids is better with sodium carbonate compared to EDTA and oxalic acid, but the efficacy varies among different ionic liquid systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biochemistry & Molecular Biology
Laszlo Kook, Piroska Lajtai-Szabo, Peter Bakonyi, Katalin Belafi-Bako, Nandor Nemestothy
Summary: The study found that hydrophobic ionic liquids (IL) in the form of supported ionic liquid membranes (SILM) have superior proton and ion transfer properties in microbial fuel cells (MFC), with IL containing [PF6](-) anion potentially reducing ion transfer losses in MFCs and demonstrating comparable conductivity at low electrolyte concentrations.
Article
Electrochemistry
Tyler Cosby, Michael J. Schnabel, David P. Durkin, Robert A. Mantz, Paul C. Trulove
Summary: Ion dynamics and charge transport in Lewis-acidic imidazolium ionic liquids were studied, revealing the emergence of mesoscale polar/non-polar aggregate dynamics with longer alkyl chain lengths. The influence of cation and anion chemical structure on the dielectric signature of mesoscale aggregate dynamics was analyzed, showing dynamic heterogeneity in ion dynamics. The close coupling of charge transport and structural rearrangement typical of aprotic ionic liquids was confirmed, with notable separation in the rates probed by different dielectric representations indicating potential for rational design of future ILs.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Energy & Fuels
Garbas A. dos Santos Junior, Victor D. S. Fortunato, Fernanda Gabrielle Gandra, Clesia C. Nascentes, Glaura G. Silva, Paulo F. R. Ortega, Rodrigo L. Lavall
Summary: The electrochemical performance of lithium-ion hybrid supercapacitors (Li-HSCs) using nanostructured LiMnxFe1-xPO4/C as the positive electrode was analyzed. The results showed that Mn doping can significantly improve the performance of Li-HSCs, with LiMn0.05Fe0.95PO4 exhibiting the best performance among the evaluated cells.
JOURNAL OF ENERGY STORAGE
(2023)
Article
Chemistry, Physical
Zeqi Wang, Yidan Wu, Zidan Cao, Yu Li, Yinge Bai, Xiangping Zhang, Tao Li, Baozeng Ren
Summary: A series of imidazolium-based ionic liquids were synthesized as absorbents for ethylene dichloride (EDC) absorption. Among them, [Bmim][DCA] showed the best absorption performance with a capacity of 0.3700 g EDC/g IL. The anions of the ionic liquids played a more significant role in EDC absorption compared to the cations.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Marceli Koralewski, Malgorzata Paprzycka
Summary: In this study, the Faraday effect and refractive index of magnetic ionic liquids (MILs) were investigated. It was found that MILs have larger Verdet constants compared to ILs with a diamagnetic counteranion and have a negative sign. The Verdet constant variations are mainly related to charge transfer transitions, and an empirical rule was introduced to estimate the Verdet constants of iron and imidazolium derivative-based MILs.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Engineering, Environmental
Lurong Ge, Yaohui Feng, Yanjun Dai, Ruzhu Wang, Tianshu Ge
Summary: This study develops a composite sorbent with excellent water sorption performance and long-term stability by encapsulating an ionic liquid in ordered mesoporous MCM-41. The composite sorbent exhibits fast sorption rate, low temperature-driven regeneration potential, and no corrosion to metal components.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biotechnology & Applied Microbiology
Yali Zhu, Xin Li, Yujiao Wang, Lujing Ren, Quanyu Zhao
Summary: Lutein, a high-value pigment from microalgae, can be extracted more efficiently using ionic liquid-based methods, with the selection of suitable ionic liquid depending on the specific species of microalgae. Extraction from fresh microalgae showed higher efficiency and reached up to 97.73% under specific experimental conditions.
ALGAL RESEARCH-BIOMASS BIOFUELS AND BIOPRODUCTS
(2021)
Article
Chemistry, Physical
Huiwen Zhang, Mengke Kong, Qianwen Jiang, Kehui Hu, Mai Ouyang, Fei Zhong, Mengyi Qin, Linghua Zhuang, Guowei Wang
Summary: Mixed solvent systems of acetic acid aqueous solution with different imidazolium ionic liquids were used for successful chitosan dissolution at room temperature, followed by casting membranes. Various imidazolium ionic liquids were found to affect the physicochemical properties of chitosan membranes, improving their thermal stability and strength. Adding different imidazolium ionic liquids during chitosan dissolution can tune the properties of chitosan membranes.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Seonmyeong Noh, Yoon Jin Cho, Gong Zhang, Marcel Schreier
Summary: This study demonstrates that the reduction rate of CO2 on silver electrodes in the presence of EMIM+ is influenced by the initial state entropy and applied potential. The consumption of the C2 proton of EMIM+ leads to the collapse of cation organization and a decrease in catalytic performance. These findings have important implications for understanding the impact of potential on complex systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Artashes A. Khachatrian, Timur A. Mukhametzyanov, Dmitry G. Yakhvarov, Oleg G. Sinyashin, Bulat F. Garifullin, Ilnaz T. Rakipov, Diana A. Mironova, Vladimir A. Burilov, Boris N. Solomonov
Summary: The intermolecular interactions between ionic liquids and hen egg-white lysozyme (HEWL) were studied using spectral, thermodynamic, and computational methods. The results showed that the stability of HEWL is influenced by the proton acceptor ability of the ionic liquids. Furthermore, fluorescence and molecular docking data indicated a lack of strong binding between the studied ionic liquids and HEWL.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
David Domingo Huguet, Aitor Gual, Ricard Garcia-Valls, Adrianna Nogalska
Summary: This study demonstrates the potential of improving CO2 capture capabilities by supporting ionic liquids (ILs) on a polymeric matrix. The internal morphology and surface characteristics of the membrane were found to influence the ILs sorption capacity and CO2 solubility.
Article
Chemistry, Physical
Daniel Hemmeter, Ulrike Paap, Nicola Taccardi, Julian Mehler, Peter S. Schulz, Peter Wasserscheid, Florian Maier, Hans-Peter Steinruck
Summary: This study investigated the formation and surface behavior of Pt(II) and Pd(II) complexes with ligand systems derived from nitrile-functionalized ionic liquids (ILs) using ARXPS. The results showed that these ligand systems enabled a high solubility of the metal complexes in IL solutions, and the formed complexes showed a homogeneous distribution at the surface.
Article
Chemistry, Physical
Jonas Bollmann, Nikolas Schmidt, Dominik Beck, Patrick Preuster, Lars Zigan, Peter Wasserscheid, Stefan Will
Summary: Liquid organic hydrogen carrier (LOHC) systems provide a safe and dense form of hydrogen storage and transportation at ambient conditions. This study utilizes the exhaust gas enthalpy of a porous media burner to supply heat for the dehydrogenation of LOHC compound, improving system dynamics and power density. The direct heating concept demonstrates potential for LOHC-based hydrogen provision systems, offering a dynamic hydrogen release and precise temperature control.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Editorial Material
Chemistry, Multidisciplinary
Daniel Hemmeter, Daniel Kremitzl, Peter S. Schulz, Peter Wasserscheid, Florian Maier, Steinrueck Hans-Peter
Summary: The cover of this issue features two Pt catalysts dissolved in an ionic liquid, studied by the groups of Hans-Peter Steinruck and Peter Wasserscheid at Friedrich-Alexander-Universitat Erlangen-Nurnberg. One of the catalysts shows significant enrichment at the gas/IL interface, thanks to the presence of fluorinated side chains in the ligand system. This effect is evidenced by enhanced Pt signals in angle-resolved photoelectron spectroscopy, which is not observed in the complex without fluorinated side chains.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Energy & Fuels
Sergey P. Safronov, Sergey V. V. Vostrikov, Artemiy A. Samarov, Peter Wasserscheid, Karsten Mueller, Sergey P. Verevkin
Summary: In this study, derivatives of indole as a Liquid Organic Hydrogen Carrier (LOHC) were examined. Methylation was found to lower the enthalpy of dehydrogenation reaction, while phenyl substitution led to partial dehydrogenation under mild conditions.
Article
Chemistry, Physical
Nikolas Schmidt, Marcel Mueller, Patrick Preuster, Lars Zigan, Peter Wasserscheid, Stefan Will
Summary: This study presents the development and optimization of a partially premixed hydrogen burner with low emissions of nitric oxides. Numerical investigation and experimental tests are conducted to improve the mixture formation and reduce NOx emissions by optimizing the geometric design of the burner and increasing the relative humidity of the combustion air.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Multidisciplinary
Jonas Bollmann, Franziska Hickl, Patrick Preuster, Lars Zigan, Peter Wasserscheid, Stefan Will
Summary: Temperature control in heat exchangers is crucial for process optimization, and phosphor thermometry offers a promising technique for remote temperature sensing. In this study, the luminescence properties of a thermographic phosphor dispersed in heat transfer fluids were investigated for its application in chemical hydrogen storage systems. The study focused on developing an excitation and detection concept to overcome interference from fluorescence signals emitted by the heat transfer fluids. Two temperature evaluation strategies based on intensity ratio and phosphorescence decay time were applied, showing applicable measurement ranges and relative sensitivities for each method.
MEASUREMENT SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Andre Hofer, Nicola Taccardi, Michael Moritz, Christoph Wichmann, Sabine Huebner, Dominik Drobek, Matthias Engelhardt, Georg Papastavrou, Erdmann Spiecker, Christian Papp, Peter Wasserscheid, Julien Bachmann
Summary: This study establishes a preparative route towards a model system for supported catalytically active liquid metal solutions (SCALMS) on nanostructured substrates. The model is characterized by a precise control of the gallium particle size distribution. The system involves spin-coating a gallium-containing precursor on nanostructured aluminum substrates and functionalizing the substrates with distinct oxide coatings. The model system can be functionalized with a dissolved noble metal catalyst for specific applications.
Article
Energy & Fuels
Timo Ruede, Yulin Lu, Leon Anschuetz, Marco Blasius, Moritz Wolf, Patrick Preuster, Peter Wasserscheid, Michael Geisselbrecht
Summary: The benzyltoluene-based LOHC system allows for safe and loss-free transportation and storage of hydrogen, but requires at least 26% of the released hydrogen's lower heating value to be invested as heat for the release process. Catalytic distillation (CD) at low temperatures facilitates waste heat integration and improves efficiency. This study demonstrates continuous hydrogen release from perhydro benzyltoluene via CD, achieving high release rates and efficient noble metal catalyst utilization at mild conditions. Simulation results highlight the feasibility of a fully heat-integrated process for electricity generation using waste heat from fuel cells.
Article
Chemistry, Multidisciplinary
Sergey P. P. Verevkin, Artemiy A. A. Samarov, Vladimir V. V. Turovtsev, Sergey V. V. Vostrikov, Peter Wasserscheid, Karsten Mueller
Summary: This study investigates the use of homocyclic aromatics with different degrees of alkylation as Liquid Organic Hydrogen Carriers (LOHC). The presence of multiple alkyl groups in crowded alkylated aromatics suggests their potential as efficient LOHCs, but existing data does not show a clear trend. The aim of this study is to provide a consistent and comprehensive data set to evaluate the benefits of multi-alkylation. The results reveal that the positive effect on enthalpy of reaction for dehydrogenation is weak, indicating that crowded alkylbenzenes may not significantly decrease the temperature for hydrogen release.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Physical
Dina Zakgeym, Jonas David Hofmann, Lukas Andreas Maurer, Franziska Auer, Karsten Mueller, Moritz Wolf, Peter Wasserscheid
Summary: Storage in liquid organic hydrogen carriers (LOHCs) provides a safe and infrastructure-compatible approach for hydrogen transportation and handling. This study introduces an oxygen-containing LOHC system, benzophenone/dicyclohexylmethanol, which exhibits excellent hydrogen storage capacity. Experimental results show that benzophenone can be selectively and completely hydrogenated to dicyclohexylmethanol using Ru/Al2O3 catalysts, while Pt-based catalysts enable hydrogen release from H14-BP to form H0-BP. Cu-based catalysts facilitate the selective transformation of H14-BP to dicyclohexylketone, allowing for the release of stored hydrogen at relatively low temperatures.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Energy & Fuels
Sergey P. Verevkin, Sergey V. Vostrikov, Anatol Leinweber, Peter Wasserscheid, Karsten Mueller
Summary: This study aims to provide data on the thermochemical properties of benzyltoluenes and their derivatives. It has been found that the reaction steps and reactions of different isomers are similar but there are still clear differences. These findings provide new insights into kinetic observations, which have previously been explained by steric effects.
Article
Chemistry, Physical
Manuel Kerscher, Julius H. Jander, Junwei Cui, Peter Wasserscheid, Michael H. Rausch, Thomas M. Koller, Andreas P. Froeba
Summary: Fluorene (H0-F) and perhydrofluorene (H12-F) are byproducts formed in the dehydrocyclization step of a LOHC system. Their presence affects the viscosity, surface tension, and density of the DPM-based system. Increasing amounts of H0-F or H12-F lead to higher densities and surface tensions, while the addition of these byproducts also increases viscosity.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Sergey V. Vostrikov, Artemiy A. Samarov, Vladimir V. Turovtsev, Peter Wasserscheid, Karsten Mueller, Sergey P. Verevkin
Summary: Liquid organic hydrogen carriers can safely and densely store hydrogen using covalent bonds. Catalytic hydrogenation and dehydrogenation enable the uptake and release of hydrogen. Indoles have been investigated as potential candidates for this purpose. The enthalpy of reaction plays a crucial role by determining the heat demand for hydrogen release and the reaction equilibrium. This study combines experimental measurements, quantum chemical methods, and a group-additivity approach to obtain a consistent dataset on the formation enthalpies of various methylated indole derivatives and their hydrogenated forms. The results indicate a significant influence of the number and position of methyl groups on the enthalpy of reaction. The enthalpy of the overall hydrogenation reaction varies up to 18.2 kJ.mol(-1) (equivalent to 4.6 kJ.mol(-1)(H-2)(-1)). The highest range of enthalpy of reaction data is observed for the hydrogenation of the last double bond in the five-membered ring of different methyl indoles, with a difference of up to 7.3 kJ.mol(-1)(H-2)(-1) between the highest and lowest values.
Article
Multidisciplinary Sciences
Haiko Wittkaemper, Rainer Hock, Matthias Weisser, Johannes Dallmann, Carola Vogel, Narayanan Raman, Nicola Tacardi, Marco Haumann, Peter Wasserscheid, Tzung-En Hsieh, Sven Maisel, Michael Moritz, Christoph Wichmann, Johannes Frisch, Mihaela Gorgoi, Regan G. G. Wilks, Marcus Baer, Mingjian Wu, Erdmann Spiecker, Andreas Goerling, Tobias Unruh, Hans-Peter Steinrueck, Christian Papp
Summary: This study presents the synthesis, catalytic trials, and characterization of Ga9Rh2 and Ga3Rh phases. Structural characterization was performed using XRD and TEM, while XPS and EDX were used to analyze their chemical composition and electronic structure. By conducting catalytic tests and DFT calculations, the researchers propose that the specific crystallographic structure of these catalyst materials leads to isolated Rhodium sites, which is crucial for their catalytic properties.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Vera Haagen, Jakob Iser, Markus Schoerner, Dennis Weber, Tanja Franken, Peter Wasserscheid, Patrick Schuehle
Summary: This contribution presents a new efficient two-stage production route for green methanol from biomass. The hydrogenolysis step is focused on and a materials solution is proposed to solve the problem of catalyst corrosion caused by the acidic mixture formed in the previous biomass oxidation step. Cu0.9Al2O4 spinel materials are found to be effective catalysts with lower corrosion compared to commercial catalysts such as CuO/Cr2O3.
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)