Article
Engineering, Multidisciplinary
Navid Namdari, Gabriel Joseph Otto, Gangjian Guo, Hossein Sojoudi, Reza Rizvi
Summary: This study demonstrates a novel microstructural design strategy for developing durable slip-resistant composites using nanomaterials. By incorporating hexagonal graphene nanoplatelets, the materials exhibit improved wear-resistance and ice-traction functionality.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Physics, Multidisciplinary
Xipeng Wang, Bo Li, Mengmeng Li, Yilong Han
Summary: Premelting not only occurs as a thin liquid film on the surface of a crystal before melting, but also as a polymorphic crystalline layer before solid-solid transitions in colloidal crystals. This pre-solid-solid transition can happen under low-energy coherent interfaces. Simulations and experiments confirm the existence of surface crystals and their different kinetics and reversibilities in various systems. The coexistence of premelting and pre-solid-solid transition leads to double surface wetting layers. These surface phenomena may also exist in atomic and molecular crystals and could be used to tune material properties.
Article
Thermodynamics
Qing Li, Jiahao Zhao, Xuezhen Sun, Bin Liu
Summary: In this paper, the pool boiling heat transfer on pillar-structured surfaces with different wettability patterns and channel-to-pillar width ratios was experimentally investigated. The results showed that the effect of wettability patterns on boiling performance was similar to that on plain surfaces, but the differences between hydrophilic and hydrophobic patterns increased with the decrease of the channel-to-pillar width ratio.
APPLIED THERMAL ENGINEERING
(2022)
Article
Chemistry, Physical
Xin He, Ben-Xi Zhang, Shuo-Lin Wang, Yi-Feng Wang, Yan-Ru Yang, Xiao-Dong Wang, Duu-Jong Lee
Summary: The study reveals that under an external electric field, a nanodroplet on pillar-arrayed surfaces can transition from an initial Cassie state to a partial wetting state, and eventually to a Wenzel state. The free-energy landscape shows multiple local energy minima, corresponding to multiple metastable states. It is found that the wetting transition from Wenzel to Cassie state is spontaneous only when the Cassie droplet is in a global energy minimum configuration.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Review
Chemistry, Multidisciplinary
Leah Fuhrman Javitt, Sofia Curland, Isabelle Weissbuch, David Ehre, Meir Lahav, Igor Lubomirsky
Summary: The ability to control the icing temperature of supercooled water (SCW) is of supreme importance in subfields of pure and applied sciences. In this Account, it is demonstrated that heterogeneous electrofreezing of SCW is a chemical process influenced by an electric field and specific ions, by capitalizing on the properties of polar crystals.
ACCOUNTS OF CHEMICAL RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Marcel F. Kunrath, Andre Correia, Eduardo R. Teixeira, Roberto Hubler, Christer Dahlin
Summary: This pilot study investigated the surface alterations caused on hydrophilic nanotubular surfaces after early human saliva interaction. The results showed that saliva interaction did not significantly affect morphological characteristics, roughness, and chemical composition, but altered the hydrophilicity. Without wet storage, saliva contamination significantly reduced the cellular viability of pre-osteoblasts. Therefore, saliva-controlled sites or modified-package methods with wet storage are recommended for oral application of hydrophilic surfaces.
Article
Chemistry, Physical
David Feldmann, Bat-El Pinchasik
Summary: The study found that biphilic surfaces can be used for controlled dropwise condensation and liquid transport. The surface temperature and subcooling greatly affect their performance. Compared to uniform superhydrophobic surfaces, biphilic surfaces have faster condensation dynamics, but most droplets remain immobile within a few hours. This provides guidance for applications such as water collection, heat transfer, and separation processes.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Review
Chemistry, Multidisciplinary
Xiaoteng Zhou, Yuling Sun, Jie Liu
Summary: Understanding the formation of ice on surfaces from supercooled water is important for anti-icing surfaces. Factors like crystal lattice match, charge, and ions play a critical role in ice nucleation. Recent research on distinct ice growth patterns on hydrophobic and hydrophilic surfaces provides insights for designing icephobic surfaces.
ADVANCED MATERIALS INTERFACES
(2021)
Article
Chemistry, Physical
Jihong Shi, Maxwell Fulford, Hui Li, Mariam Marzook, Maryam Reisjalali, Matteo Salvalaglio, Carla Molteni
Summary: This study investigates the pre-melted quasi-liquid layers (QLLs) on ice surfaces using molecular dynamics simulations. The results show that different order parameters give qualitatively similar trends for the behaviors of the QLLs with temperature. The thickness of the QLLs on the ice surface increases gradually as the temperature increases.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Joseph Kangas, John C. Bischof, Christopher J. Hogan
Summary: This paper extends the classic Avrami equation to nonisothermal systems with arbitrary temperature-time history and initial distributions of transformed phase. By examining phase change in Fourier space, a nonlinear differential equation relating nucleation rate, growth rate, and transformed fraction is derived. Analytical solutions for the population balance partial differential equation on the phase size distribution are obtained, and initial conditions for the differential equation linking nucleation rate, growth rate, and transformed fraction are derived.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Rui Ma, Feng Wang, Yuanhao Chang, Senbo Xiao, Niall J. English, Jianying He, Zhiliang Zhang
Summary: In this study, large-scale molecular simulations were used to investigate the adhesion of hydrates on solid surfaces, focusing on the atomistic structures of the intermediate layer and their impact on adhesion. The results revealed that the structure of the intermediate layer is a competitive equilibrium of induced growth from both sides, regulated by the content of guest molecules. By comparing the fracture behaviors of hydrate-solid surface systems with different intermediate structures, it was found that the adhesion strength is determined by the lattice areal density of water structure and the adsorption of guest molecules on the interface. Further analysis of adhesion strength distribution showed significant differences in adhesion among different water structures like ice and hydrate, with ice having approximately five times the adhesion strength compared to the lowest hydrate adhesion strength, consistent with experimental results.
Article
Engineering, Environmental
S. Keshavarzi, A. Entezari, K. Maghsoudi, G. Momen, R. Jafari
Summary: This study investigates ice nucleation time on superhydrophobic surfaces using both experimental testing and machine learning approaches. The experimental results show that superhydrophobic surfaces with higher roughness parameters have longer ice nucleation times. The predicted ice nucleation time from the machine learning model agrees well with the experimental outcomes. The study also determines the relative importance of different parameters in determining surface icephobicity.
COLD REGIONS SCIENCE AND TECHNOLOGY
(2022)
Article
Physics, Fluids & Plasmas
Shu-Hang Lv, Fang-Fang Xie, Yan-Ru Yang, Duu-Jong Lee, Xiao-Dong Wang, Yuan-Yuan Duan
Summary: A phase diagram for the impact of nanodroplets on nanopillared surfaces was constructed using molecular dynamics simulations. Different impact regimes were observed and their dependence on surface properties was analyzed. A theoretical model was also developed to understand the wetting transition mechanism at the nanoscale.
PHYSICAL REVIEW FLUIDS
(2022)
Review
Food Science & Technology
Sheetal Thakur, Bhavya Jha, Naman Bhardwaj, Ajay Singh, Pravin D. Sawale, Ashish Kumar
Summary: This literature survey discusses the extended shelf life of foods achieved through isochoric freeze processing, comparing it to conventional freezing methods. Isochoric freezing proves effective in prolonging the shelf life of fresh agricultural produce while preserving nutrients. It is applicable for fruits, vegetables, poultry, and other meat products.
JOURNAL OF FOOD PROCESSING AND PRESERVATION
(2022)
Article
Meteorology & Atmospheric Sciences
N. R. Mascioli, A. T. Evan, F. M. Ralph
Summary: Research using a model shows that dust can increase the ratio of precipitation falling as snow, affecting the distribution of precipitation downwind and upwind. Under certain favorable conditions, dust can significantly enhance precipitation through the seeder-feeder mechanism.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2021)
Article
Chemistry, Physical
Mangesh Bhendale, Arpita Srivastava, Jayant K. Singh
Summary: This research was supported by SERB, and we are grateful to the HPC and NSM at the Indian Institute of Technology Kanpur for providing the computational resources.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Engineering, Mechanical
Siddharth Yadav, Santosh Kumar, Satya Prakash Tewari, Subhash Chandra Ram, Rabindra Prasad, Nitesh Kumar Sinha, Manish Deo, Jayant Kumar Singh
Summary: This study investigated the effects of mould vibration on the physical, metallurgical, and mechanical properties of die cast A308 alloy. The results showed that vibration treatment resulted in improvements in the metallurgical characteristics, yield strength, and microhardness of the alloy.
PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART E-JOURNAL OF PROCESS MECHANICAL ENGINEERING
(2023)
Article
Energy & Fuels
Prosun Halder, Jayant K. Singh
Summary: A database of hypothetical metal-organic frameworks (hMOFs) was explored to find top-performing adsorbents for the separation of xylene isomers and ethylbenzene mixture. The structural properties of individual hMOFs were calculated to understand their correlation with adsorption capacity and selectivity. High-throughput screening of the hMOF database was performed, followed by simulations of top-performing hMOFs at different pressures to obtain adsorption isotherms. Additionally, the energy contribution of organic linkers and inorganic metal nodes in competitive adsorption was studied for a better understanding of the enhanced interaction between hMOFs and para-xylene.
Article
Nanoscience & Nanotechnology
B. Moses Abraham, Oriol Pique, Mohd Aamir Khan, Francesc Vines, Francesc Illas, Jayant K. Singh
Summary: Fusing high-throughput quantum mechanical screening techniques with modern artificial intelligence strategies has the potential to revolutionize catalyst discovery. In this study, this strategy was applied to identify key descriptors for CO2 activation on two-dimensional transition metal (MXenes) carbides/nitrides. Machine learning models were developed and the random forest regressor scheme exhibited the best predictive performance with mean absolute errors of 0.16 ± 0.01 and 0.42 ± 0.06 eV for training and test data sets, respectively. Key descriptors for CO2 activation were identified as d-band center (ε(d)), surface metal electronegativity (χ(M)), and valence electron number of metal atoms (M (V)).
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Khushboo Yadav, Hariom Birla, Showkat H. Mir, Thomas Halbritter, Alexander Heckel, Jayant K. Singh, Thiruvancheril G. Gopakumar
Summary: In this article, we study the trans isomer of azobenzene (AB) and its derivatives and their switchability on surfaces. We find that the switching probability is very low due to the large activation barrier for switching from trans to cis. However, when switching is performed from a meta-stable initial condition, the switching probability is enhanced by several folds. The enhanced switching probability is a result of switching between two associated cis states with relatively low energy barriers.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Mangesh Bhendale, Jayant K. Singh
Summary: The nanoscale association domains play a vital role in determining the macroscopic properties of complex fluids involving amphiphilic polymers and surfactants. This study investigates the effect of polymer/surfactant concentration on the morphology of pluronics and sodium dodecyl sulfate (SDS) mixed micelles using molecular dynamics simulations. The findings reveal the composition and shape of the micelles and the factors governing their transitions in morphology.
Article
Chemistry, Physical
M. V. Jyothirmai, D. Roshini, B. Moses Abraham, Jayant K. Singh
Summary: Single atoms of boron, manganese, and cobalt embedded in graphitic carbon nitride (g-C3N4) were found to be efficient active sites for hydrogen production through screening by density functional theory (DFT) and six machine learning algorithms. The support vector regression (SVR) model exhibited the best performance in predicting the Gibbs free energy of hydrogen adsorption (Delta GH), with a low mean absolute error (MAE) and a high coefficient of determination (R2). This study is of significant importance for catalyst design and fabrication.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Aindrila Indra, Mangesh Bhendale, Jayant K. Singh
Summary: This study uses molecular dynamics to investigate the role of concentration, degree of supercooling, degree of polymerization, and amphiphilicity of PVA and PVA-like polymers on the homogeneous nucleation of water in dilute polymeric solutions. The results suggest that an increase in solute concentration decreases the nucleation rate of water, contradicting previous simulation studies.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Hariom Birla, Showkat H. Mir, Khushboo Yadav, Thomas Halbritter, Alexander Heckel, Jayant K. Singh, Thiruvancheril G. Gopakumar
Summary: This study investigates the electronic structure, switching barrier, and electron/hole-induced switching of three different azobenzene derivatives on a graphite surface. It is found that molecules with strong inter-molecular interactions in the adlayer have a lower switching probability, and the molecule-surface interaction also affects the switching.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Mayank Gupta, Varad Daoo, Jayant K. K. Singh
Summary: A Zn(II)-based metal-organic framework (MOF), synthesized under hydrothermal conditions using terephthalic acid (TPA), 2-aminoterephthalic acid (NH2-TPA), and 1,4-bis(4-pyridinylmethyl)piperazine (bpmp) ligands, exhibited a sra topology with a BET surface area of 756 m(2) g(-1). The framework showed significant CO2 adsorption capacities due to the presence of carboxylate and amine substituents. The activated MOF effectively converted CO2 into cyclic carbonates, with the amine groups enhancing both sorption and conversion. GCMC molecular simulations confirmed the strong intermolecular interactions responsible for CO2 adsorption.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Snehitha Srirangam, Mangesh Bhendale, Jayant K. Singh
Summary: Understanding the nucleation behavior of ice under shear at high pressures is crucial for protein crystallization and cryopreservation. This study investigates the nucleation rates of the TIP4P/Ice model under various pressures and analyzes the impact of pressure on transport and thermodynamic properties. The results show a non-monotonic dependence of the nucleation rate on shear at higher pressures.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
B. Moses Abraham, Priyanka Sinha, Prosun Halder, Jayant K. Singh
Summary: By establishing a multistep workflow using supervised machine learning algorithms, we have successfully constructed well-trained data-driven models for predicting the hydrogen evolution reaction (HER) activity of 4500 MM ' XT2-type MXenes. We discovered that hydrogen atoms adsorbed on certain MM ' XT2-type MXenes exhibit high stability and activity, surpassing commercially available platinum-based catalysts.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
Vanshree Parey, B. Moses Abraham, Jayant K. Singh
Summary: This study explores the surface hydroxylation mechanism for CO2 conversion into formic acid and bypasses the challenges of the conventional bi-hydrogenation process by capturing hydrogen from the surface. The reactive H atom on the OH-terminated MXenes contributes to the observed unique CO2RR activity. Additionally, the significance of functional groups in determining the surface electrostatic potential of MXenes is demonstrated.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Physical
Mangesh Bhendale, Aindrila Indra, Jayant K. Singh
Summary: This work investigates the freezing-induced self-assembly (FISA) of polyvinyl alcohol (PVA) and PVA-like polymers using molecular dynamics simulations. The study examines the effect of various factors, such as supercooling, polymerization degree, polymer type, and initial concentration, on FISA. The results show that the critical factor influencing FISA is the increase in local concentration of the polymers during solvent freezing, rather than the diffusion of polymers away from the ice front. The degree of supercooling affects the diffusion rate of polymers and subsequently influences FISA. Furthermore, the interaction between polymers and the solvent also plays a role in FISA, with favorable interactions hindering self-assembly and unfavorable interactions promoting it. The study provides molecular insights into the fundamental factors governing self-assembly via solvent freezing, particularly in biomedical applications.
Article
Chemistry, Physical
M. Jyothirmai, B. Moses Abraham, Jayant K. Singh
Summary: In this study, double-layer ice confined within various carbon nanotubes was investigated using density functional theory calculations. The results showed that the phase behaviors of double-layer ice varied with pressure and carbon nanotube diameter, and the confinement width played a crucial role in determining the phase formation. The relative enthalpies demonstrated the stability of different ice polymorphs under different pressure conditions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
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)
