Article
Chemistry, Physical
Pablo Vallet, Silvia Bouzon-Capelo, Trinidad Mendez-Morales, Victor Gomez-Gonzalez, Yago Arosa, Raul de la Fuente, Elena Lopez-Lago, Julio R. Rodriguez, Luis J. Gallego, Juan J. Parajo, Josefa Salgado, Mireille Turmine, Luisa Segade, Oscar Cabeza, Luis M. Varela
Summary: This study systematically investigates the effects of salt concentration and cation valence on various equilibrium and transport properties of mixtures of a model protic ionic liquid. Experimental techniques and molecular dynamics simulations are used to determine density, sound velocity, refractive index, surface tension, conductivity, viscosity, single-particle dynamics, and radial distribution functions. The results reveal significant influences of salt type and concentration on the analyzed properties. Temperature dependence of conductivity is analyzed using the Vogel-Fulcher-Tammann framework, and various parameters such as activation energies, fragility indexes, and Vogel temperatures are obtained. High-temperature Arrhenius analysis is performed to calculate activation energies of both conductivity and viscosity. Furthermore, the fractional Walden rule is applied to determine the ionicities and fragilities of the mixtures, showing that all mixtures are subionic and fragile. The study also highlights the impact of hydrogen bond network distortion and the formation of long-lived anionic aggregates on the analyzed properties. Moreover, the role of surface charge density of salt cations in solvation within the polar nanoregions of the ionic liquid is detailedly analyzed.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Ceramics
Monika Kazancioglu, Richard Lehman, Thomas Emge, Masanori Hara
Summary: Silicate polymers containing both monovalent and divalent ions were synthesized using a new method. The addition of divalent ions reduced the hygroscopicity of the silicates, similar to the effect of adding Ca2+ ions to Na+ glass. Water vapor acted as a plasticizer for the silicate polymer until saturation, while an ionic liquid could act as a plasticizer beyond this limit through cation exchange reactions. The reduction of Tg value was found to be greater when the ionic liquid had better compatibility with the ionic groups, the monovalent-ion content in the glass was higher, and higher pressure was applied during compression molding. The reasons for these behaviors were discussed.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Chemistry, Physical
Hangzhi Wu, Xiaomin Zhang, Wenjie Xiong, Jian Liang, Shule Zhang, Xingbang Hu, Youting Wu
Summary: This work investigated the deep eutectic behavior and solid-liquid phase equilibrium data of protic ionic liquids (PILs) through the preparation of four PILs and six binary mixture systems. The molecular interactions were studied using quantum calculations, and the solid-liquid equilibrium data were successfully calculated using the Margules equation. The findings provide guidance for expanding the application range of ionic liquids and tuning their physical properties.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Danni Qin, Shaojia Song, Yanrong Liu, Ke Wang, Bing Yang, Suojiang Zhang
Summary: Ionic liquid modification of catalyst is an effective method to improve the performance of electrochemical conversion of nitrate to ammonia. The modified Co3O4-x catalyst achieves a high NH3 yield rate of 30.23 +/- 4.97 mg h(-1) mg(cat.)(-1) and a Faradaic efficiency of 84.74 +/- 3.43 % at low NaNO3 concentration.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Thermodynamics
Changgeng Sun, Shaokun Tang
Summary: By mixing different cations and anions to form hypergolic ionic mixtures, properties and ignition delay times can be varied. Ionic nature and ratio play crucial roles in determining the characteristics of the mixtures. This new design strategy allows for enhanced performance compared to individual ionic liquids by combining different ion properties in specific ratios.
COMBUSTION AND FLAME
(2021)
Article
Chemistry, Multidisciplinary
Wei Zhang, Yan Zhang, Wenpeng P. Ni, Shiguo G. Zhang
Summary: Protic ionic liquids and salts (PILs/PSs), generated from the neutralization of organic bases with protonic acids, can serve as economical and versatile small-molecule carbon precursors, leading to carbon materials with enhanced yield, increased nitrogen content, improved graphitic structure, robust thermal stability against oxidation, and superior conductivity.
Article
Chemistry, Physical
Dong Wang, Yiran Wang, Fengjiao Zan, Yunzhi Li, Guangli Zhou, Xia Leng, Qiying Xia
Summary: This study investigates the structural and dynamic properties of ionic liquid mixtures around single-walled carbon nanotubes through simulations and calculations. The results show the formation of well-defined shell structures at the interface, preferential adsorption of aprotic cations at the interface, and enhanced hydrogen bonding strength at the interface.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Environmental Sciences
Juan Jose Parajo, Pablo Vallet, Luis Miguel Varela, Maria Villanueva, Josefa Salgado
Summary: The study found that aprotic ILs are more toxic than protic ILs, and aromatic ILs are more toxic than non-aromatic ILs. Mixing inorganic salts with ILs, especially certain salts like Al(NO3)(3)center dot 9H(2)O, significantly increases toxicity levels.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Engineering, Mechanical
Zhiwen Zheng, Xiaolong Liu, Hongxiang Yu, Haijie Chen, Dapeng Feng, Dan Qiao
Summary: This study achieves macroscale superlubricity with a low coefficient of friction through the use of ionic liquids in propylene glycol aqueous solution. The research investigates the factors and mechanisms affecting superlubricity, and finds that longer alkyl chains in the ionic liquids contribute to the formation of a thicker and denser stern layer, enabling superlubricity.
Article
Chemistry, Physical
Mingren Liu, Yong-Lei Wang, Konstantin Schutjajew, Liyuan Chai, Martin Oschatz
Summary: This study reports a unique interfacial phenomenon resulting from the presence of carbon dioxide loaded in 1-Ethyl-3-methylimidazoliumtetrafluorborate electrolyte that coupled to IL ions and nitrogen-doped carbonaceous electrode simultaneously. The adsorbed CO2 molecule polarizes and mitigates the electrostatic repulsion among like-charged ions near the electrified interface, leading to an ion bridge effect with increased interfacial ionic density and significantly enhanced charge storage capability. The unpolarized CO2 possessing a large quadrupole moment further reduces ion coupling, resulting in higher conductivity of the bulk IL and improved rate capability of the supercapacitor.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Pablo Martinez-Crespo, Martin Otero-Lema, Oscar Cabeza, Hadrian Montes-Campos, Luis M. Varela
Summary: In this study, classical Molecular Dynamics and ab initio Density Functional Theory simulations were used to investigate the structure and single particle dynamics of ternary mixtures. The coordination numbers and electrical conductivities of different mixtures were calculated, and the differences between mixtures with protic and aprotic ionic liquids were analyzed, along with solvation and charge transport mechanisms.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Electrochemistry
Federico Raffone, Andrea Lamberti, Giancarlo Cicero
Summary: Ionic liquids play a crucial role in various applications involving carbon-based electrodes. Understanding the atomistic features of the electrode-IL interface is important for optimizing device performance. Molecular dynamics simulations reveal that the interface potential can be inferred by examining the molecular structure of the IL.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Juan J. Parajo, Jose M. Otero-Mato, Ana I. M. C. Lobo Ferreira, Luis M. Varela, Luis M. N. B. F. Santos
Summary: An experimental and theoretical study investigates the solution and solvation of mono-and divalent alkali metal cations in the protic ionic liquid ethylammonium nitrate (EAN). The heat of solvation, obtained through high precision solution-reaction calorimetry, is used for thermodynamic analysis. A close relationship between the crystalline phase structure of the salts and their enthalpy of solvation in EAN is reported. Molecular dynamics simulations provide a detailed insight into the solvation shells surrounding the metal cations. The analysis of energetics and structure confirms the water-like solvation properties of EAN, with similarities in the solvation shell around the metal cations in both media. It is energetically favorable to solvate smaller cations with higher valence.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Saffron J. Bryant, Stuart J. Brown, Andrew Martin, Radhika Arunkumar, Rekha Raju, Aaron Elbourne, Gary Bryant, Calum J. Drummond, Tamar L. Greaves
Summary: The study found that protic ionic liquids have potential as effective cryoprotective agents, with ethylammonium acetate showing promising results and being safer than the common cryoprotectant, dimethylsulfoxide. The results of this research will inform the development of a suite of potential new ionic liquid-based cryoprotectants that could potentially allow the cryopreservation of new cell types.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Iqbaal Abdurrokhman, Anna Martinelli
Summary: Binary mixtures of two protic ionic liquids, [C(2)HIm][TfO] and [C(2)HIm][TFSI], show interesting phase behavior and ionic conductivity as the composition changes. The addition of [C(2)HIm][TFSI] to [C(2)HIm][TfO] leads to suppression of phase transitions, resulting in a wide temperature range of the liquid state. The alteration of cation-anion interactions in the mixtures is reflected in changes in vibrational spectroscopy and melting temperature, indicating potential for applications in devices operating at extreme temperatures.
FRONTIERS IN CHEMISTRY
(2022)
Article
Chemistry, Physical
Vladimir V. Matveev, Alexandr Ievlev, Mikhail A. Vovk, Oscar Cabeza, Josefa Salgado-Carballo, Juan J. Parajo, Julio R. Rodriguez, Raul de la Fuente, Erkki Lahderanta, Luis M. Varela
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Jose M. Otero-Mato, Volker Lesch, Hadrian Montes-Campos, Jens Smiatek, Diddo Diddens, Oscar Cabeza, Luis J. Gallego, Luis M. Varela
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Chemistry, Physical
Mohammad Hasani, Luis Miguel Varela, Anna Martinelli
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Physical
Victor Gomez-Gonzalez, J. Manuel Otero-Mato, Hadrian Montes-Campos, Xabier Garcia-Andrade, Amador Garcia-Fuente, Andres Vega, Jesus Carrete, Oscar Cabeza, Luis J. Gallego, Luis M. Varela
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Chemistry, Physical
Hadrian Montes-Campos, Svyatoslav Kondrat, Esther Rilo, Oscar Cabeza, Luis M. Varela
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Biochemistry & Molecular Biology
David Ausin, Juan J. Parajo, Jose L. Trenzado, Luis M. Varela, Oscar Cabeza, Luisa Segade
Summary: This paper presents a comprehensive study of two alkylammonium nitrate ionic liquids and finds that the presence of water has a critical impact on physical properties involving mass or charge transport processes, with viscosity and electrical conductivity experiencing significant changes of over 40%. In contrast, refractive index, density, and surface tension show much less significant changes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Thermodynamics
Sandra Garcia-Garabal, Montserrat Dominguez-Perez, Oscar Cabeza, Yago Arosa, Luis Miguel Varela, Cristina Fernandez-Lopez, Jorge Perez-Juste, Isabel Pastoriza-Santos
Summary: This study analyzes the effect of gold-nanoparticle doping on the physical properties of an ionic liquid, showing that it can decrease viscosity and increase ionic conductivity, with smaller nanoparticles having a more significant impact. According to Walden's rule, the addition of gold nanoparticles decreases ionicity, with smaller nanoparticles causing a larger effect.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2021)
Article
Chemistry, Multidisciplinary
Anna Martinelli, Jose M. Otero-Mato, Mounesha N. Garaga, Khalid Elamin, Seikh Mohammad Habibur Rahman, Josef W. Zwanziger, Ulrike Werner-Zwanziger, Luis M. Varela
Summary: The study presents a novel solid-state proton conductor obtained through acid-base chemistry, showing higher proton conductivity and densely packed solid structure. Computational results suggest that the proton transfer primarily involves imidazole and water molecules, with the Keggin anion contributing to lowering the energy barrier.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Medicinal
Hadrian Montes-Campos, Jesus Carrete, Sebastian Bichelmaier, Luis M. Varela, Georg K. H. Madsen
Summary: NEURALIL is an effective model for predicting the potential energy of ionic liquids, achieving accurate results with significant savings in computational cost by training on ab initio forces. By utilizing appropriate descriptor encoding and force information, higher accuracy is achieved, reducing the amount of data required for training.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Multidisciplinary
Vladimir V. Matveev, Alexandr Ievlev, Maria Soltesova, Helena Stepankova, Erkki Lahderanta, Luis M. Varela
Summary: In this study, the closest environment of Al3+ cations in aluminum nitrate solutions was analyzed in the prototypical ionic liquid ethyl ammonium nitrate using H-1 and N-14 nuclear magnetic resonance (NMR) spectra. A quantitative analysis of the integral intensities of the H-1 and N-14 signals was conducted for Al (NO3)(3)-EAN mixtures with different water content, leading to a refined composition of the first solvation shell of the aluminum cation.
MAGNETIC RESONANCE IN CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Hadrian Montes-Campos, Trinidad Mendez-Morales, Luis Miguel Varela, Manuel Angel Ortuno
Summary: In this study, classical molecular dynamics simulations were performed to investigate the solvent effects on the conversion of glucose and fructose to 5-hydroxymethylfurfural in imidazolium-based ionic liquids. The results identified several parameters that directly control the interactions between the product and the anions, which may affect product separation and undesired side-reactions between HMF molecules. These findings provide guidance for future high-throughput screenings of new and improved ionic liquid media.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Thermodynamics
Naushad Anwar, Hadriaïn Montes-Campos, Trinidad Mendez-Morales, Luis M. Varela, Abdullah Alarifi, Mohd Afzal
Summary: This study investigated the thermophysical properties of binary mixtures of 1-ethyl-3-methylimidazolium dicyanamide ([EMIM][N(CN)(2)]) ionic liquids (ILs) with 1-butanol and 2-butanol organic solvents. Experimental evaluation of density, speed of sound, and viscosity was conducted for pure substances and binary mixtures. The solute-solvent interactions were discussed and molecular dynamics simulations confirmed similar molecular environments in the binary mixtures.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2023)
Article
Chemistry, Physical
Raul Lois-Cuns, Martin Otero-Lema, Alejandro Rivera-Pousa, Pablo Vallet, Juan J. Parajo, Oscar Cabeza, Hadrian Montes-Campos, Trinidad Mendez-Morales, Luis M. Varela
Summary: The structure and dynamics of binary mixtures of a protic ionic liquid and ethylene carbonate were investigated using molecular dynamics simulations and experimental measurements. The experimental results showed a solubility limit at 0.6 carbonate molar fraction. The computational results were compared with density and conductivity experimental data, and distribution and correlation functions obtained from bulk simulations were analyzed to understand the role of carbonate in the coordination and diffusion of ionic species. The presence of an interface was also considered, revealing that an increased concentration of carbonate tends to displace the ionic liquid from the near-wall region.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Alejandro Rivera-Pousa, Jose M. Otero-Mato, Carlos Damian Rodriguez-Fernandez, Kazem Zhour, Hadrian Montes-Campos, Trinidad Mendez-Morales, Luis M. Varela
Summary: This study investigates the adsorption behavior of ionic liquids mixed with metal ions on monolayer graphene using first-principles calculations. The analysis reveals that calcium and magnesium transfer the highest and lowest amount of charge, respectively, and the energy shift of the Dirac cone increases with the degree of charge transfer. The study also observes a stronger interaction of magnesium with the ionic liquid compared to other metal atoms.
JOURNAL OF MOLECULAR LIQUIDS
(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)
