Article
Materials Science, Multidisciplinary
M. S. S. Khan, S. F. Mao, Y. B. Zou, D. B. Lu, B. Da, Y. G. Li, Z. J. Ding
Summary: Despite the intensive experimental studies on electron emission properties, reliable data for clean and smooth surfaces are still limited. This study comprehensively simulates electron emission yields from silicon and quantifies the uncertainty in theoretical calculations for the first time. Factors such as work function, optical energy loss function, dielectric function models, and scattering potentials are considered in the simulations. The results show significant influence of the work function on delta, with slight effects from the dielectric function model. Elastic scattering potential and energy loss function affect both delta and eta to some extent. The simulated data agree with most experimental measurements, highlighting the need for a theoretical database of electron emission yield.
Article
Biochemistry & Molecular Biology
Laura-Alice Jantke, Antti J. Karttunen, Thomas F. Faessler
Summary: This study predicts silicon allotropes based on experimentally accessible [Si-9](4-) clusters connected by covalent Si-Si bonds. Quantum chemical calculations reveal that the relative energies of these silicon nanomaterials are comparable to known silicene, with some structures even more favorable. The insertion of tetrahedrally connected Si atoms as linkers significantly reduces the relative energies. All predicted silicon materials are semiconductors, exhibiting low dispersion band structures typical of covalent polymers.
Article
Nuclear Science & Technology
Erdem Sakar, Bunyamin Alim, Huseyin Ertap, Mevlut Karabulut
Summary: This study aimed to determine the radiation attenuation abilities of Hf added iron-borophosphate glasses for Pu-containing nuclear waste. The experimental absorption parameters for photon radiation were measured using 133Ba radionuclide, and the same parameters were calculated theoretically. The obtained data showed that these glasses have photon absorption ability and can be used as shielding material for nuclear applications, as well as for the vitrification of nuclear waste containing Pu.
PROGRESS IN NUCLEAR ENERGY
(2023)
Article
Materials Science, Multidisciplinary
Xiao Guo, Zeyu Peng, Pengbo Ding, Long Li, Xinyi Chen, Haoyun Wei, Zhen Tong, Liang Guo
Summary: Silicon carbide (SiC), as a leading representative of the third-generation of semiconductors, has excellent physical properties but poses challenges in processing, requiring special techniques such as femtosecond laser machining. SiC shows unprecedented potential for optoelectronic applications, necessitating measurement of its nonlinear optical properties and exploration of its potential applications.
OPTICAL MATERIALS EXPRESS
(2021)
Article
Computer Science, Interdisciplinary Applications
J. Prakash, B. Vinoth Kumar
Summary: Several superpixel segmentation techniques have been developed recently, which can combine perceptually similar pixels to form visually significant entities and reduce the amount of primitives needed for future processing stages. This study thoroughly examines various superpixel algorithms, including watershed-based, graph-based, clustering-based, and energy optimization strategies. It also considers benchmark measures and datasets to create a superpixel benchmark and improve researchers' understanding and application of superpixel segmentation techniques.
ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
(2023)
Article
Computer Science, Information Systems
Pietro Boccadoro, Domenico Striccoli, Luigi Alfredo Grieco
Summary: The Internet of Drones (IoD) has gained momentum in various applications due to its adaptability and ability to improve network architecture performance. However, challenges related to wireless medium unreliability, battery duration, and high mobility degree have emerged, leading to frequent topology changes and security/privacy issues that need further investigation. The present work categorizes multifaceted aspects of IoD and explores research challenges and promising technologies for future development in the field.
Article
Engineering, Electrical & Electronic
Pavel Zaviska, Pavel Rajmic, Alexey Ozerov, Lucas Rencker
Summary: This paper provides an extensive review and numerical evaluation of audio declipping algorithms, including assumptions made about the audio signal, modeling domain, and optimization algorithm. The evaluation is based on Signal-to-Distortion Ratio and perceptual metrics of sound quality, with a repository containing the evaluated methods.
IEEE JOURNAL OF SELECTED TOPICS IN SIGNAL PROCESSING
(2021)
Article
Computer Science, Artificial Intelligence
Andrea F. Abate, Carmen Bisogni, Aniello Castiglione, Michele Nappi
Summary: Biometric based systems are widely used in various fields, and head pose estimation is one of them, which can be applied in driver attention detection and face frontalization tasks. This survey provides an overview of the involved datasets, recent techniques, and applications, and evaluates and compares different methods.
PATTERN RECOGNITION
(2022)
Article
Computer Science, Hardware & Architecture
Muhammad Morshed Alam, Muhammad Yeasir Arafat, Sangman Moh, Jian Shen
Summary: In recent years, unmanned aerial vehicles (UAVs) have gained attention for their potential applications in military and civilian domains. Collaborative groups of UAVs known as flying ad hoc networks (FANETs) can efficiently complete complex tasks. However, challenges such as dynamic time-varying topologies, energy constraints, link breakages, collisions, and obstacle avoidance limit their applications. Proper topology control algorithms (TCAs) optimize mission and communication performance, providing wider coverage and enhancing the autonomy of UAV swarms.
JOURNAL OF NETWORK AND COMPUTER APPLICATIONS
(2022)
Article
Engineering, Electrical & Electronic
Tyler Adamson, Mohammad Mahmud, Yuheng Wu, Nan Lin, Fei Diao, Yue Zhao, Juan Calros Balda
Summary: This study proposes a comprehensive electro-thermal characterization method based on the virtual junction temperature concept to describe the maximum power dissipation of SiC power modules. Additionally, a low-inductance bussing structure design using heavy copper printed circuit boards is presented.
IEEE JOURNAL OF EMERGING AND SELECTED TOPICS IN POWER ELECTRONICS
(2022)
Article
Plant Sciences
Anne Caroline Joly, Shahinez Garcia, Jean-Michel Hily, Sandrine Koechler, Gerard Demangeat, Damien Garcia, Emmanuelle Vigne, Olivier Lemaire, Helene Zuber, Dominique Gagliardi
Summary: Plant viral RNAs can undergo uridylation, which has diverse patterns and potential pro- and antiviral functions. In this study, the global 3' terminal RNA uridylation profiles of various phytoviruses were analyzed, revealing the prevalence of uridylation in viral RNAs. It was found that grapevine fanleaf virus (GFLV) RNAs have a unique monouridylation pattern, which becomes dominant during infection. The uridylation of viral RNAs was found to be independent of known terminal uridylyltransferases (TUTases), but these TUTases can uridylate other viral RNAs. Our findings highlight the importance of uridylation in plant-virus interactions and provide valuable insights into the diverse roles of uridylation.
Article
Engineering, Mechanical
Rossella Laudani, Roberta Santoro
Summary: This paper focuses on the structural response analysis of multi-damaged beams with open cracks characterized by uncertain parameters. The uncertain parameters are described using both probabilistic and non-probabilistic approaches. The Probability Transformation Method (PTM) and sensitivity-based (SB) method or global optimization (GO) technique are used to obtain the probability density functions (PDFs) and bounds of the response functions. A numerical investigation is conducted to directly compare the response intervals with the response PDFs, providing a new perspective on result interpretation.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Ragima V. P. Veluthaparambath, G. Vibha Krishna, Pattath. D. Pancharatna, Binoy K. Saha
Summary: Statistical analysis and DFT calculations were performed on NO2···NO2 interactions between nitrobenzene moieties to determine their preferred geometry and energy. The results showed that the parallel form with an inversion center is the most stable and has two equivalent N···O interactions. The energetic trends were better reflected by the M06-2x level of theory. Interestingly, the N···O distance was slightly shorter in the perpendicular geometry. The involvement of the N and O atoms in the interaction was indicated by the angles C-N···O and N-O···N, respectively.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Plant Sciences
Ioanna Manolikaki, Chrysi Sergentani, Safiye Tul, Georgios Koubouris
Summary: This study compared two- and three-dimensional imaging systems for phenotyping olive varieties, and found significant positive correlations between the two methods for several morphological traits. The study also identified novel morphological indicators using 3D scanning.
Article
Engineering, Civil
Vincent Jarry, Philippe Apparicio, Jeremy Gelb
Summary: This study evaluates cycling comfort in Montreal, Laval, and Longueuil in Canada using GPS- and accelerometer-equipped bicycles. The results show that cycling comfort is significantly influenced by the characteristics of the cyclists themselves and their speed. Off-street bike paths are less comfortable compared to shared lanes, bike lanes, and streets without cycling facilities. Laval has more high-comfort clusters, while Montreal has more low-comfort clusters. These findings are important for improving cycleway planning and quality monitoring.
TRANSPORTATION RESEARCH RECORD
(2023)
Editorial Material
Chemistry, Physical
Daniel H. Ess, Kim E. Jelfs, Heather J. Kulik
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
J. Alejandro De Sousa, Raphael Pfattner, Diego Gutierrez, Kilian Jutglar, T. Bromley Stefan, Jaume Veciana, Concepcio Rovira, Marta Mas-Torrent, Bruno Fabre, Nuria Crivillers
Summary: The preparation of monolayers based on an organic radical and its diamagnetic counterpart has been investigated on hydrogen-terminated silicon surfaces. The monolayers exhibit a characteristic diode behavior in solid-state metal/monolayer/semiconductor junctions, which is influenced by the electronic characteristics of the organic molecule. The presence of the radical significantly enhances the rectification ratio and photosensitivity of the junction.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Anqi Wang, Rui Tan, Dezhi Liu, Jiaxin Lu, Xiaochu Wei, Alberto Alvarez-Fernandez, Chunchun Ye, Charlotte Breakwell, Stefan Guldin, Anthony R. Kucernak, Kim E. Jelfs, Nigel P. Brandon, Neil B. McKeown, Qilei Song
Summary: Redox flow batteries (RFBs) show promise for grid-scale energy storage, but the performance of ion-conducting membranes used in RFBs needs improvement. This study developed high-performance RFB membranes using blends of carboxylate- and amidoxime-functionalized polymers, which exhibited both low ionic resistance and high selectivity towards redox-active species. The resulting microporous membranes demonstrated fast cation conduction and reduced crossover of redox-active molecules, leading to improved power ratings and reduced capacity fade in aqueous RFBs.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Jack A. Davies, Andrew Tarzia, Tanya K. Ronson, Florian Auras, Kim E. Jelfs, Jonathan R. Nitschke
Summary: We have derived design principles for assembling rectangular tetramines into Zn8L6 pseudo-cubic coordination cages. The ligand panels' rectangular geometry and the handedness of each metal center at the corners of the pseudo-cube result in multiple possible cage diastereomers. However, our experiments showed that each tetra-aniline subcomponent assembled with zinc(II) and 2-formylpyridine into a single Zn8L6 pseudo-cube diastereomer. The preferred diastereomer depended on the subcomponent's aspect ratio and conformational flexibility.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Miguel Recio-Poo, Angel Morales-Garcia, Francesc Illas, Stefan T. T. Bromley
Summary: In this study, the interrelation between crystallinity, surface hydroxylation, and electronic structure in titania nanoparticles (NPs) was investigated using density functional theory-based calculations. The results showed that the local coordination environments of the atoms in annealed non-crystalline NPs became similar to those in faceted crystalline anatase NPs with increasing hydroxylation. Highly hydroxylated annealed NPs also exhibited similar electronic energy gaps and band edge orbital characters to crystalline anatase NPs. These findings suggest that the anatase crystal structure may not be essential for TiO2 NP applications, and crystal-like NPs could exist in other nanomaterials.
Article
Chemistry, Multidisciplinary
Isaac Alcon, Jordi Ribas-Arino, Iberio de P. R. Moreira, Stefan T. Bromley
Summary: Two-dimensional conjugated polymers (2DCPs) are organic 2D materials composed of arrays of carbon sp(2) centers connected by pi-conjugated linkers, and they are gaining attention for their potential applications in device technologies. In this study, we use first-principles calculations to predict the electronic and magnetic properties of a new class of hexagonally connected neutral mixed-valence 2DCPs. We find that these materials exhibit emergent superexchange-mediated antiferromagnetic interactions, making them a highly promising platform for the realization of all-organic quantum materials.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Miquel Lopez-Suarez, Genis Lleopart, Raul Morales-Salvador, Iberio de P. R. Moreira, Stefan T. Bromley
Summary: In this study, the mechanical and electronic response of sp(2)-based two-dimensional materials under in-plane compression was investigated using first principles density functional theory-based calculations. It was found that two carbon-based graphynes, alpha-graphyne and gamma-graphyne, exhibit out-of-plane buckling under modest in-plane biaxial compression. This buckling is energetically more stable than in-plane scaling/distortion and significantly reduces the in-plane stiffness of the materials. Moreover, the buckling also leads to in-plane auxetic behavior and modulates the electronic band gap.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Multidisciplinary Sciences
Verity Anipa, Andrew Tarzia, Kim E. E. Jelfs, Eugeny V. V. Alexandrov, Matthew A. A. Addicoat
Summary: Porous molecular materials are constructed from molecules that form cavities or interconnected pore networks. The assembly of these materials is challenging due to weak interactions between molecules and the potential for different crystal packing arrangements. By analyzing 1033 crystal structures, we determine the void spaces and potential guest diffusion networks in porous molecular materials. We find that while their packing arrangements resemble non-porous molecules, their pore distributions exhibit topological similarities to prominent porous materials such as metal-organic frameworks and covalent organic frameworks.
ROYAL SOCIETY OPEN SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Paulina Molinska, Andrew Tarzia, Louise Male, Kim E. Jelfs, James E. M. Lewis
Summary: This study investigates the use of primary coordination-sphere engineering to bias isomer selectivity within metal-organic cages and discovers the significant impact of the second coordination sphere on isomer stabilities. The findings provide a theoretical scaffold for the development of stimuli-responsive, shape-shifting MOCs.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Editorial Material
Chemistry, Multidisciplinary
Rebecca L. L. Greenaway, Kim E. E. Jelfs, Alan C. C. Spivey, Sophia N. N. Yaliraki
Summary: Reimagining the training of future chemists in the age of digital chemistry, automation, robotics, and artificial intelligence.
NATURE REVIEWS CHEMISTRY
(2023)
Article
Chemistry, Physical
Austin M. Mroz, Lukas Turcani, Kim E. Jelfs
Summary: The molecular structure is crucial in determining the selectivity and performance of catalysts. Quantifying the impact of structural differences on catalyst performance is essential for developing high-performing catalytic systems. Sterimol parameters, derived based on the electric field of a molecule, show strong correlations with structure-selectivity relationships in asymmetric catalysis.
ELECTRONIC STRUCTURE
(2023)
Article
Chemistry, Physical
Sascha T. Zeegers, Joan Marinoso Guiu, Francisca Kemper, Jonathan P. Marshall, Stefan T. Bromley
Summary: Quantum chemical calculations are used to obtain the mid-infrared optical properties of silicate nanoparticles, and a model is developed to predict the spectral appearance of mixtures of bulk and nanoparticle silicates. The predictions suggest that the James Webb Space Telescope (JWST) can detect 3-10% nanosilicate content with its mid-IR instrument (MIRI).
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Multidisciplinary
Emma H. Wolpert, Andrew Tarzia, Kim E. Jelfs
Summary: We investigated the impact of two distinct types of linker distribution, random or correlated distribution, on the pore size and shape of three multicomponent COF single-layers. We discovered a correlation between linker distribution and the porosity of COF solid solutions. The methods introduced in this study are applicable and can be utilized in future research to explore the properties of disordered framework materials.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Rachel J. Kearsey, Andrew Tarzia, Marc A. Little, Michael C. Brand, Rob Clowes, Kim E. Jelfs, Andrew I. Cooper, Rebecca L. Greenaway
Summary: The synthesis of a new porous organic cage (CC21) with isopropyl moieties was achieved from the reaction of triformylbenzene and an isopropyl functionalised diamine. The challenging synthesis was rationalised using control experiments and computational modelling, highlighting the competitive aminal formation. The addition of an extra amine increased the conversion to the desired cage.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Jiajun Zhou, Austin Mroz, Kim E. Jelfs
Summary: This article presents a deep-learning-enabled generative model, Cage-VAE, for the targeted generation of shape-persistent porous organic cages (POCs). By integrating with multiple efficient sampling methods, the model demonstrates the capacity to propose novel POCs.
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)