Article
Chemistry, Physical
Anthony J. Lucio, Iwan Sumarlan, Elena Bulmer, Igor Efimov, Stephen Viles, A. Robert Hillman, Christopher J. Zaleski, Karl S. Ryder
Summary: In this study, a chloroaluminate electrolyte was made by reacting AlCl3 with Acet-Cl salt to obtain a more performant liquid electrolyte. A novel method for extracting ionic conductivity was established and compared to conventional methods. The electrolytes made with Acet-Cl showed significant improvement (5-10x higher) compared to those made with similar Lewis base salts. This study is an important step towards designing cost-effective and performant liquid electrolytes for Al-ion battery applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Engineering, Chemical
Lidia Cristina Alves Camelo, Gabriela de Souza Dias Santos, Ranyere Lucena de Souza, Cleide Mara Faria Soares, Jorge Fernando Brandao Pereira, Alvaro Silva Lima
Summary: A series of new aqueous two-phase systems composed of polymers and protic ionic liquids were developed for the concentration, partition and/or purification of biomolecules, with a focus on pre-purifying genipin from genipap. The optimal system exhibited a purification factor of 6.03 for genipin.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Green & Sustainable Science & Technology
Zhuoheng Tu, Ping Zhang, Mingzhen Shi, Xiaomin Zhang, Youting Wu, Xingbang Hu
Summary: Selective and simultaneous separation of CO and H-2 from N-2 using protic chlorocuprate ionic liquids (PCILs)-based membranes is reported in this study. The selectivity of CO/H-2 can be tuned drastically by varying the Cu(I) content and operating temperature. This work offers a new strategy for designing IL-based membranes for CO and H-2 capture.
Article
Chemistry, Physical
Ruisong Zhu, Zhigang Lei
Summary: This study extends the application of COSMO-based models to predict gas solubility in polymers, with COSMO-RS (Klamt) model performing better for common polymers and COSMO-RS (ADF-Lei 2018) exhibiting the best predictions for PILs. The moderately accurate predictions of COSMO-based models demonstrate the high potential for predicting gas solubility in polymers.
GREEN ENERGY & ENVIRONMENT
(2021)
Article
Chemistry, Physical
Malgorzata Pajak, Katarzyna Hubkowska, Andrzej Czerwinski
Summary: The mixtures of selected protic and aprotic ionic liquids with their parent superacids were used as electrolytes for hydrogen electrosorption in thin Pd films. The properties of these mixtures were characterized using electrochemical and physicochemical methods, demonstrating their potential use as electrolytes in hydride/protonic systems.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Energy & Fuels
Zhiwen Ma, Tao Lu, Yali Pan, Yupeng Yuan, Yingqiang Sun
Summary: This study investigates the effect of alkyl chain length of cations in ionic liquids (ILs) on in-situ transesterification (IST) of microalgae. The results show that shorter alkyl chains of cations are favorable for cellulose extraction and biodiesel yield.
Article
Chemistry, Multidisciplinary
Lu Liu, Qing Wan, Chen Gui, Ping He, Zujin Zhao, Zhiming Wang, Ben Zhong Tang
Summary: In this research, phenanthro[9,10-d]imidazole is introduced into an acyl chloride agent of TPEPCl to enhance stability via the delocalization effect. Rarely reported acyl chloride crystals have been achieved, further confirming its stability. The changes of TPEPCl are visually monitored using tetraphenylethylene group and aggregation-induced emission (AIE) characteristics. The reactivity of TPEPCl can be stimulated by strong alkaline solution or high temperature. Crystallography analyses of acyl TPE-PI derivatives are discussed and the relationship between the delocalization structure and stability is determined.
CHEMICAL COMMUNICATIONS
(2022)
Review
Chemistry, Physical
Kamil Paduszynski, Krzysztof Klebowski, Marta Krolikowska
Summary: The article reviews quantitative structure-property relationships for predicting melting point temperature of ionic liquids and proposes new models using experimental data for 953 salts. A variety of machine learning algorithms are applied, including regression and classification methods.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Timothy S. Groves, Carla S. Perez-Martinez, Romain Lhermerout, Susan Perkin
Summary: Water-in-salt electrolytes are a novel class of aqueous solutions with wide electrochemical stability windows, but the high ion concentration makes them less understood compared to more dilute electrolyte solutions. Research has shown that these electrolytes form a layered structure at charged interfaces, composed of a hydrated cation nanostructure and nonaqueous anion-rich domains, which will impact their capacitance and double-layer behavior for energy storage applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Kalpana Chintakrinda, Nagaraju Narayanam, Guang-Hui Chen, Fei Wang, Jian Zhang, Lei Zhang
Summary: We report the discovery of inorganic toroidal and capsule titanium oxysulfate clusters through ionothermal synthesis. The ratio between geometrically different anions (tetrahedral SO(4)(2-) vs. pseudo-tetrahedral PO(3)(3-)) shows an interesting influence on the formation of cluster structure.
DALTON TRANSACTIONS
(2022)
Article
Engineering, Chemical
Menad Nait Amar, Mohammed Abdelfetah Ghriga, Mohamed El Amine Ben Seghier, Hocine Ouaer
Summary: This study established rigorous models that can predict the solubility of N2O in ILs with high accuracy. The best predictive paradigm was found to be the CFNN model optimized using the LM algorithm, with a statistical validity of over 96%.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2021)
Article
Engineering, Environmental
Xuejing Kang, Yongsheng Zhao, Zhongbing Chen
Summary: A novel ASFC method was proposed for assessing the properties of compounds, with a predictive model developed based on the sigma surface areas of fragments/groups for estimating IL toxicity. The ASFC model demonstrated high accuracy and reliability, showing extensive potential for estimating properties of ILs and other compounds.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Onajite T. Diejomaoh Abafe, Muhammad Mohsin Azim, Bice S. Martincigh, Annegret Stark
Summary: This study investigates the physicochemical properties of a series of cation-fluorinated ionic liquids and provides experimental evidence for nanosegregation and triphilicity in these liquids. The introduction of fluoroalkyl chains enhances hydrogen bond interactions between anions and cations and leads to structural rearrangements. The study also demonstrates the use of a group contribution method to predict the density of the liquids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Elif Can, Ahsan Jalal, I. Gulcin Zirhlioglu, Alper Uzun, Ramazan Yildirim
Summary: Machine learning techniques were employed to accurately predict water solubility in ionic liquids, identifying key descriptors for low solubility. The deep learning model demonstrated high accuracy in predicting solubility and performed well in experimental data validation. When predicting water capacity of ILs, anionic descriptors were found to be more influential than cationic descriptors.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Reza Nakhaei-Kohani, Seyed Ali Madani, Seyed-Pezhman Mousavi, Saeid Atashrouz, Ali Abedi, Abdolhossein Hemmati-Sarapardeh, Ahmad Mohaddespour
Summary: In this study, intelligent models were developed using machine learning approaches to predict electrical conductivity of ionic liquids. Different models showed varying performance, with factors such as temperature and molecular weight having direct and inverse effects on conductivity. These intelligent models based on chemical structure provide a robust, reliable, and accurate way to predict electrical conductivity of ionic liquids.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Instruments & Instrumentation
Akiharu Kitagawa, Calum Welsh, Harry Mackilligin, Peter Licence
Summary: Temperature measurement is crucial for the life and efficiency of internal components in a jet engine. Rolls-Royce developed irreversible thermochromic paints to evaluate the surface temperature of engine components that cannot be directly measured. This study explored the use of diffuse reflection Fourier transform infrared spectroscopy and partial least squares regression analysis to improve the reliability of temperature measurement by thermochromic paints. The results showed an improved reliability of the prediction model after the combined pre-process treatments.
APPLIED SPECTROSCOPY
(2022)
Editorial Material
Chemistry, Multidisciplinary
David T. Allen, Peter Licence, Bala Subramaniam, Paul T. Anastas, D. Julie Carrier, Jingwen Chen, Nicholas Gathergood, Jeannette M. Garcia, Jinlong Gong, Hongxian Han, King Kuok (Mimi) Hii, Bing-Joe Hwang, Andrew Marr, Michael Meier, Audrey Moores, Ryuhei Nakamura, Thalappil Pradeep, Liane Rossi, Bert Sels, Michael K. C. Tam, Lin Zhuang, Julio F. Serrano
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Sergio Lopez-Rodriguez, Arantxa Davo-Quinonero, Esther Bailon-Garcia, Dolores Lozano-Castello, Ignacio J. Villar-Garcia, Virginia Perez Dieste, Jon Ander Onrubia Calvo, Juan Ramon Gonzalez Velasco, Agustin Bueno-Lopez
Summary: The active sites of Ni/CeO2 catalysts for CO2 methanation are identified as Ni2+-CeO2 and Ni-0. The H-2 reduction rate of Ni2+-CeO2/Ni-0 and Ce4+/Ce3+ couples is much faster than their CO2 reoxidation rate, indicating the high activity of the catalyst. The presence of oxidized nickel under reaction conditions also suggests the simultaneous presence of Ni2+-CeO2 and Ni-0 active sites.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Chemistry, Multidisciplinary
Mariam Barawi, Elena Alfonso-Gonzalez, Carmen G. Lopez-Calixto, Alberto Garcia, Alba Garcia-Sanchez, Ignacio J. Villar-Garcia, Marta Liras, Victor A. de la Pena O'shea
Summary: Solar energy conversion through photoelectrochemical cells using organic semiconductors is a popular topic due to the promising optoelectronic properties of these materials. Conjugated polymers have attracted research interest for their interesting light-harvesting properties. Conjugated porous polymers (CPPs) offer greater surface area, photochemical and mechanical stability compared to their linear counterparts, but their synthesis often results in powders unsuitable for thin film preparation. In this study, a synthetic strategy is presented to prepare nanostructures of a CPP for use as a photoelectrode in a photoelectrochemical cell.
Article
Chemistry, Physical
Emily Smith, Neal Fairley, Peter Licence, Robert Jones, Jonas Baltrusaitis
Summary: X-ray photoelectron spectroscopy (XPS) is commonly used for surface characterization. This study presents a refined fitting procedure for XPS spectra, which can account for the asymmetric features observed in experimental spectral envelopes.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Ceramics
Guillermo Menendez, Thomas Kynaston, Ignacio J. Villar-Garcia, Min Gao, Sam L. Evans, Victoria G. Rocha
Summary: In this study, the addition of a triblock copolymer (PF127) was used to enable the infiltration of water-based ceramic suspensions into freeze-cast graphene structures, allowing for the production of hierarchical graphene/ceramic composites. The combination of freeze-casting, wet chemistry processing, and Spark Plasma Sintering preserved alignment in embedded reduced graphene oxide (rGO) scaffolds and maintained channel widths upon sintering at high temperatures.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Multidisciplinary Sciences
Nuria J. Divins, Andrea Braga, Xavier Vendrell, Isabel Serrano, Xenia Garcia, Lluis Soler, Ilaria Lucentini, Maila Danielis, Andrea Mussio, Sara Colussi, Ignacio J. Villar-Garcia, Carlos Escudero, Alessandro Trovarelli, Jordi Llorca
Summary: The authors demonstrate that mechanically prepared Pd-Pt supported on ceria catalysts can effectively abate methane, even under wet conditions. By applying a toolkit of in situ synchrotron techniques, they show that the synthesis method greatly influences the interaction and structure at the nanoscale. They also find that the unique structures attained by milling are key for the catalytic activity and correlate with higher methane conversion and longer stability in the wet feed.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Paul Leidinger, Mirco Panighel, Virginia Perez Dieste, Ignacio J. Villar-Garcia, Pablo Vezzoni, Felix Haag, Johannes V. Barth, Francesco Allegretti, Sebastian Guenther, Laerte L. Patera
Summary: Dynamic covalent chemistry is used for designing covalent organic frameworks with high crystallinity achieved through reversible bond formation. In this study, near-ambient pressure X-ray photoelectron spectroscopy is employed to investigate the reversible formation of a two-dimensional boroxine framework. By mapping the pressure-temperature parameter space, the regions where the rates of condensation and hydrolysis reactions dominate are identified, which enable the thermodynamically controlled growth of crystalline frameworks.
Article
Energy & Fuels
Elena Alfonso-Gonzalez, Marta Liras, Mengjiao Wang, Ignacio J. Villar-Garcia, Luca de Trizio, Mariam Barawi, Victor A. de la Pena O'Shea
Summary: In this work, a tandem photoelectrochemical (PEC) cell based on two different crystallographic phases of sub-stoichiometric copper telluride nanocrystals (NCs) was designed, assembled, and characterized. The PEC cell exhibits efficient photoconversion by utilizing the distinct optoelectronic properties of the two Cu2-xTe structures.
SOLAR ENERGY MATERIALS AND SOLAR CELLS
(2023)
Article
Chemistry, Physical
Alexander Parastaev, Valery Muravev, Elisabet Huertas Osta, Tobias F. Kimpel, Jerome F. M. Simons, Arno J. F. van Hoof, Evgeny Uslamin, Long Zhang, Job J. C. Struijs, Dudari B. Burueva, Ekaterina Pokochueva, Kirill Kovtunov, Igor Koptyug, Ignacio J. Villar-Garcia, Carlos Escudero, Thomas Altantzis, Pei Liu, Armand Beche, Sara Bals, Nikolay Kosinov, Emiel J. M. Hensen
Summary: A high dispersion of the active metal phase on oxide supports is crucial for designing efficient heterogeneous catalysts. In addition to nanoparticles, clusters and single metal atoms also have potential applications in various reactions. However, reducing the size of metal particles below a certain threshold often leads to decreased catalytic performance due to structure sensitivity. In this study, the authors demonstrate that engineering the catalytic sites at the metal-oxide interface in cerium oxide-zirconium dioxide (ceria-zirconia)-supported cobalt overcomes this issue and produces a highly active CO2 methanation catalyst with superior performance compared to larger particles under the same conditions.
Article
Chemistry, Physical
Eoghan Rattigan, Sigmund Jensen, Zhaozong Sun, Miguel Angel Nino, Sofia O. Parreiras, Cristina Martin-Fuentes, Juan Carlos Martin Romano, David Ecuja, Carlos Escudero, Ignacio J. Villar-Garcia, Stefan Wendt, Jonathan Rodriguez-Fernandez, Jeppe V. Lauritsen
Summary: This study investigates the surface structure and spectroscopic features of varying submono-layer coverages of CoO supported on Pt(111) under CO oxidation conditions using operando ambient pressure scanning tunneling microscopy and ambient pressure X-ray photoelectron spectroscopy. The results reveal that the cobalt oxide ultrathin film dewets into nanoparticles with a Co3O4-like structure upon temperature increase during the CO oxidation reaction.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Carmen Tebar-Soler, Vlad Martin-Diaconescu, Laura Simonelli, Alexander Missyul, Virginia Perez-Dieste, Ignacio J. Villar-Garcia, Jean-Blaise Brubach, Pascale Roy, Miguel Lopez Haro, Jose Juan Calvino, Patricia Concepcion, Avelino Corma
Summary: The utilization of CO2 as a carbon source and surplus renewable energy for generating methane fuel allows for the decarbonization and substitution of fossil fuels. A solid catalyst synthesized using a mild hydrothermal synthesis method exhibits excellent catalytic activity and selectivity for methane conversion at lower temperatures than conventional catalysts, with long-term stability. This catalyst can operate under intermittent power supply conditions, making it compatible with renewable energy-based electricity production systems.
Article
Chemistry, Analytical
Tomoya Minezaki, Peter Kruger, Fatima Ezahra Annanouch, Juan Casanova-Chafer, Aanchal Alagh, Ignacio J. J. Villar-Garcia, Virginia Perez-Dieste, Eduard Llobet, Carla Bittencourt
Summary: This study investigates the hydrogen sensing mechanism of a nanostructured WS2 layer using NAP-XPS and DFT. The results suggest that hydrogen physisorbs on the WS2 active surface at room temperature and chemisorbs on tungsten atoms at higher temperatures. DFT calculations show that hydrogen adsorbs physically on the defect-free WS2 monolayer, but forms chemical bonds with tungsten atoms on sulfur defects. The hydrogen adsorption causes charge transfer and reduces the intensity of in-gap states, leading to an increase in the gas sensor resistance.
Article
Chemistry, Physical
Shuang Men, Yusheng Sun, Peter Licence, Jun Qu
Summary: This study used X-ray photoelectron spectroscopy to analyze nine morpholinium ionic liquids and investigate the effects of alkyl chain length and anion basicity on binding energies. The results showed that changing the anion's basicity had a significant impact on the electronic environment of the oxygen center. The study also discussed the influence of long alkyl side chains on cation-anion interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Coby J. Clarke, Husain Baaqel, Richard P. Matthews, Yiyan Chen, Kevin R. J. Lovelock, Jason P. Hallett, Peter Licence
Summary: Halometallate ionic liquids have unique properties that make them promising for industrial catalytic processes. This study provides a comprehensive list of thermal parameters to define temperature limits and prevent catalyst poisoning. Adjusting the structure of the ionic liquids can optimize catalysis, but it also affects their physical properties.
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)