Article
Nanoscience & Nanotechnology
Manuel Oliva-Ramirez, Carmen Lopez-Santos, Hermine Berthon, Mathilde Goven, Jose Portoles, Jorge Gil-Rostra, Agustin R. Gonzalez-Elipe, Francisco Yubero
Summary: A new nanocolumnar birefringent Bragg microcavity (BBM) has been developed in this research, acting as a selective transducer of volatile organic compounds (VOCs) through tailored oblique angle deposition. The optical adsorption isotherms recorded upon exposure of these nanostructured systems to water vapor and VOCs have revealed a rich phenomenology linked to their optical activity, providing potential for vapor identification and partial pressure determination. These nanostructured photonic systems show promise for developing transducers that can specifically respond to VOCs under environmental conditions without being influenced by humidity levels.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Liangwei Li, Xiaoling Wu, Yuxia Pang, Hongming Lou, Zhixian Li
Summary: This study presents an innovative strategy to encapsulate cytochrome c within covalent organic frameworks (COFs) using deep eutectic solvents (DESs) as reaction solvents. The resulting cytochrome c@COF composite exhibits remarkable preservation of enzymatic activity and exceptional resistance to organic solvents. The encapsulated cytochrome c also shows enhanced catalytic efficiency in a photoenzymatic cascade reaction.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Electrochemistry
Haoyu Zhang, Baoguo Zhang, Bing Ai, Kefeng Pan, Weimin Zhang, Lipeng Zhang, Zhongning Shi
Summary: This study reports the direct electrowinning of metallic Li from a low-cost electrolyte (LiCl in dimethylacetamide) at room temperature, determines the optimal LiCl concentration, and explores the redox processes in the optimized system. It is suggested that the direct smelting of electrodeposited films can rapidly transform thin films to bulk materials, stabilizing metallic Li and forming bulk Li-based alloys.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Hao Zhao, Guanhua Liu, Yunting Liu, Liya Zhou, Li Ma, Ying He, Xiaobing Zheng, Jing Gao, Yanjun Jiang
Summary: This study proposes a self-templated method for the preparation of hollow spherical COFs through the Ostwald ripening mechanism under ambient conditions. The obtained hollow COFs exhibit high crystallinity, stability, and yield, and can be used for immobilized enzyme applications with enhanced catalytic performance. This research will promote the valuable research of COFs in the field of biocatalysis.
Article
Multidisciplinary Sciences
Mahzad Yaghmaei, Anabel E. Lanterna, Juan C. Scaiano
Summary: The Pd@GW catalyst shows exceptional performance and durability for reducing nitrobenzene to aniline at room temperature and ambient pressure in aqueous solutions. It performs well under a variety of flow rates and maintains high conversions even at high flow rates. The catalyst has excellent shelf life and can be reused after months of storage with the same performance as when fresh.
Article
Chemistry, Multidisciplinary
Viktor P. Balema, Ihor Z. Hlova, Scott L. Carnahan, Mastooreh Seyedi, Oleksandr Dolotko, Aaron J. Rossini, Igor Luzinov
Summary: Depolymerization of polystyrene to monomeric styrene is achieved through mechanochemical processing in metal-based milling media, generating carbon-centered free radicals detected by EPR spectroscopy even in air.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Tianyuan Xiao, Yasutaka Nagaoka, Xirui Wang, Tian Jiang, Derek LaMontagne, Qiang Zhang, Can Cao, Xizheng Diao, Jiahua Qiu, Yiruo Lu, Zhongwu Wang, Y. Charles Cao
Summary: This study investigates the ambient metastability of the rock-salt phase in well-defined nanocrystal systems and proposes general rules for transformation-barrier engineering, which are important for the rational design of next-generation materials.
Article
Polymer Science
Yao Peng, Shengjie Liu, Ling Wang, Ying Xu, Zhaoqiang Wu, Hong Chen
Summary: This study developed a photocontrolled reversible addition-fragmentation chain transfer (RAFT) process that utilizes photolysis to release a reactive triethylborane for initiating and mediating RAFT polymerization. The controlled polymerization was achieved without prior deoxygenation, and the temporal and spatial control of the photopolymerization was demonstrated. Additionally, active chain ends were demonstrated by preparing block copolymers using RAFT-derived macrochain transfer agents.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Muhammed N. K. Safeer, Chinnusamy Sathiskumar, Neena S. John
Summary: Using highly conductive MoO2 as an electrocatalyst, electrochemical nitrogen reduction for ammonia production was achieved with a yield rate of 2.30 μg h(-1) mg(cat)(-1) and 2.40% Faradaic efficiency. The MoO2 catalyst exhibited selective ammonia generation without hydrazine formation. Its metallic nature contributed to comparable activity for electrochemical nitrogen reduction. The catalyst has the potential for further improvement through combination or doping with other active elements.
Article
Chemistry, Multidisciplinary
Ricardo M. S. F. Almeida, Eva Barreira, Maria Lurdes Simoes, Tiago S. F. Sousa
Summary: Infrared thermography (IRT) can be used to assess thermal comfort inside buildings. Different IR cameras and ambient conditions impact the resolution and definition of the thermal images. There is a linear correlation between IRT results and the thermal comfort index for different facial regions. The average facial temperature can be used as an indicator for the determination of thermal comfort.
APPLIED SCIENCES-BASEL
(2022)
Review
Chemistry, Inorganic & Nuclear
Yang Yang, Wenyao Zhang, Xuehai Tan, Keren Jiang, Shengli Zhai, Zhi Li
Summary: Ammonia (NH3) is an integral part to modern agriculture and industry. The electrocatalytic nitrogen reduction reaction (NRR) strategy is an economical and sustainable process to convert nitrogen to NH3 under ambient conditions. This review summarizes the roles of reactive sites in electrocatalytic NRR, the strategies to construct and characterize atomic-level reactive sites, and the recent advancements in designing and developing atomic-level reactive sites for electrocatalytic NRR.
COORDINATION CHEMISTRY REVIEWS
(2023)
Article
Chemistry, Physical
Meena Said, Amy E. Hixon
Summary: Characterization of plutonium dioxide (PuO2) and thorium dioxide (ThO2) aging under different temperature and relative humidity conditions revealed significant stability differences between actinide oxides, providing important insights for nuclear forensic applications and fundamental safety and storage concerns. The study used a variety of techniques, including scanning electron microscopy and X-ray diffraction, to analyze the morphological and phase changes in the materials, highlighting the need for further research on the chemical and physical properties of actinide compounds near ambient temperatures and humidities.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Ming Liu, Xiuzhu Han, Rui Zhao, Tong Lu, Wen Dong, Chaoqun Liao, Qi Zhang, Yonghao Sun, Yanzhi Dong, Jian Song, Wei Yao, Shaofan Zhao, Haiyang Bai, Weihua Wang
Summary: This study assessed the thermal stability of metallic glasses (MGs) under simulated space conditions and proposed rules for selecting MGs with better thermal stability for future space applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Editorial Material
Chemistry, Multidisciplinary
Yayuan Liu
Summary: Electrochemical modulation of cation population in nonaqueous amine solvents enhances CO2 absorption capacity for isothermal carbon capture.
ACS CENTRAL SCIENCE
(2023)
Review
Chemistry, Multidisciplinary
Suchi Smita Biswas, Soumita Chakraborty, Arunava Saha, Muthusamy Eswaramoorthy
Summary: Aqueous electrochemical nitrogen reduction (ENR) to ammonia (NH3) is considered as an alternative method for ammonia production, but it faces challenges in quantifying low concentrations of NH3 and requires standardized protocols.
Article
Chemistry, Physical
Dhani Nafday, Christine Richter, Olivier Heckmann, Weimin Wang, Jean-Michel Mariot, Uros Djukic, Ivana Vobornik, Patrick Lefevre, Amina Taleb-Ibrahimi, Julien Rault, Laurent Nicolai, Chin Shen Ong, Patrik Thunstrom, Karol Hricovini, Jan Minar, Igor Di Marco
Summary: In this study, angle-resolved photoemission spectroscopy and density functional theory are used to investigate the electronic structure of self-assembled Bi nanolines on the InAs(100) surface. The results suggest the presence of a flat band associated with the Bi nanolines, indicating a strongly polarized conductivity that makes them suitable for nanowire applications in nanotechnology. The coexistence with an accumulation layer indicates further functionalization potential.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
A. Yu. Stroev, O. I. Gorbatov, Yu. N. Gornostyrev, P. A. Korzhavyi
Summary: In this study, the growth of precipitates during solid solution decomposition and the dissolution of small precipitates during the coarsening stage in ternary Al-Sc-Zr alloys were investigated using a statistical alloy theory based on the Master Equation approach with ab initio calculated interatomic interactions. The results showed that Zr alloying promoted the formation of core-shell nanoparticles in Al-Sc alloys, whose structure was highly sensitive to the solute diffusion rates. It was demonstrated that the core-shell structure of precipitates slowed down the dissolution of small particles, thus hindering microstructure coarsening at elevated temperatures.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Marcela E. Trybula, Arkadiusz Zydek, Pavel A. Korzhavyi, Joanna Wojewoda-Budka
Summary: Aluminum oxide coating is resistant to weak acidic and alkaline aqueous solutions and naturally forms a passivation layer against corrosion. Molecular dynamics simulations were used to study the behavior of the Al/oxide surface when exposed to strong corrosive media. The mechanism of film growth on the Al/oxide surface during corrosion differs in alkaline and acidic solutions, leading to differences in structure and topography. The chemical composition of the formed films is pH-independent, and the films have a topologically complex amorphous nature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Samuel G. Dunning, Bo Chen, Li Zhu, George D. Cody, Stella Chariton, Vitali B. Prakapenka, Dongzhou Zhang, Timothy A. Strobel
Summary: Compared with conventional, solution-phase approaches, solid-state reaction methods can provide unique access to novel synthetic targets. We report here the scalable synthesis of chemically homogeneous, functionalized nanothreads through the solid-state polymerization of 2,5-furandicarboxylic acid. The resulting product possesses high-density, pendant carboxyl functionalization along both sides of the backbone, enabling new opportunities for the post-synthetic processing and chemical modification of nanothread materials applicable to a broad range of potential applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Computer Science, Interdisciplinary Applications
Yunguo Li, Huaiwei Ni
Summary: The accurate determination of self-diffusion coefficient from molecular dynamics simulations using the Einstein relation is hindered by finite system size. Our Python module facilitates the accurate determination of self-diffusion coefficient by fitting the Einstein relation and excluding the ballistic stage. We also provide a method to calculate viscosity that corrects for the finite system size.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Geosciences, Multidisciplinary
D. Huang, Y. Li, A. Khan, P. Sossi, D. Giardini, M. Murakami
Summary: Seismic measurements on Mars reveal that the liquid core is rich in light elements, but the effect of these elements on core elasticity is not well understood. Through molecular dynamics simulations, we calculate the elastic properties of different liquid Fe-X (X = Ni, S, C, O, and H) mixtures. Our findings show that the addition of S and O significantly decreases the density of liquid iron in the Martian core, while Ni has minimal effect. Additionally, C increases the compressional sound velocity throughout the core, while both S and O decrease it with diminishing intensity at higher pressures. Assuming a binary mixture for the Martian core, the seismic density measurements suggest the presence of at least 30 wt% S.
GEOPHYSICAL RESEARCH LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Yi Yang, Pavel A. Korzhavyi, Pavel A. Nikolaychuk, Elena F. Bazarkina, Kristina O. Kvashnina, Sergei M. Butorin, Nadezda V. Tarakina, Inna L. Soroka
Summary: Transition metal-based catalysts have the potential to replace Pt-based materials in energy conversion devices due to their low cost, reasonable activity, stability, and corrosion resistance. This study demonstrates the synthesis of homogeneous alloy nanoparticles with controlled structure and varying Ni-to-Co ratios using a gamma-radiolytic reduction method. The presence of structural defects in the obtained samples influenced the catalysts' activity towards the oxygen evolution reaction but had a less pronounced effect on the oxygen reduction reaction. The activity of Ni-Co catalysts in the hydrogen evolution reaction was found to be affected by the formation of Ni-OH bonds on the surface.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Crystallography
Marcela E. Trybula, Arkadiusz Zydek, Pavel A. Korzhvayi, Joanna Wojewoda-Budka
Summary: Oxidation conditions can be controlled to tailor the properties and structure of oxide films. Molecular dynamics simulations were used to study the thermal oxidation of polycrystalline Al substrates. The results showed that the density of O2 and the temperature had an impact on the formation of oxide films, which exhibited long-range order and a two-phase structure. Additionally, the roughness of the Al surface before oxidation affected the behavior of the metal/oxide interface and the structure of the oxide film.
Article
Materials Science, Multidisciplinary
M. Yazdani-Kachoei, S. Li, W. Sun, S. Mehdi Vaez Allaei, I. Di Marco
Summary: This study investigates the impact of chemical pressure on the thermoelectric properties through ab initio calculations, highlighting the importance of volume change in accurately determining thermoelectric efficiency. The findings suggest that TaRuAs material is a promising candidate for thermoelectric applications due to its high efficiency at zero pressure and potential for further improvement through small volume changes.
PHYSICAL REVIEW MATERIALS
(2023)
Correction
Chemistry, Multidisciplinary
Nisha Geng, Katerina P. Hilleke, Li Zhu, Xiaoyu Wang, Timothy A. Strobel, Eva Zurek
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Xin-Ling He, Peiyu Zhang, Yuan Ma, Hefei Li, Xin Zhong, Yanchao Wang, Hanyu Liu, Yanming Ma
Summary: Researchers predict a ternary hydride, YSrH22, by introducing an additional metal element into the binary hydride. The H electron density of states at the Fermi level in YSrH22 is significantly enhanced compared to the parent hydride, which could lead to higher superconductivity.
Article
Physics, Multidisciplinary
Li Zhu, Hanyu Liu, Maddury Somayazulu, Yue Meng, Piotr A. Gunka, Thomas B. Shiell, Curtis Kenney-Benson, Stella Chariton, Vitali B. Prakapenka, Hyeok Yoon, Jarryd A. Horn, Johnpierre Paglione, Roald Hoffmann, R. E. Cohen, Timothy A. Strobel
Summary: We predict superconductivity in the carbon-boron clathrate SrB3C3 with a critical temperature (Tc) range of 27-43 K for certain Coulomb pseudopotential (mu*) values (0.17-0.10). Experimental measurements of electrical transport under extreme synthesis conditions (>3000 K at 50 GPa) show resistivity drops consistent with the calculated magnitude and pressure dependence of superconductivity for mu* approximately 0.15, and magnetic field measurements indicate an onset Tc of approximately 20 K at 40 GPa. Carbon-based clathrates present a new class of superconductors with potential tunable properties and metastable persistence at ambient conditions, similar to other covalent metals and doped fullerenes.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Chemistry, Physical
Qianyi Wang, Honggang Li, Jiahui Wei, Ting Zhong, Li Zhu, Xinxin Zhang, Hanyu Liu, Shoutao Zhang
Summary: Boron-based compounds have gained attention for their multifunctional properties, including excellent hardness and superconductivity. In this study, LiB4 and NaB4 were found to possess high Vickers hardness and exhibit superconductivity under ambient pressure. These findings provide valuable insights into the potential properties of metal borides and contribute to further research in emergent borides with multiple functionalities.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Debjani Karmakar, Manuel Pereiro, Md. Nur Hasan, Ritadip Bharati, Johan Hellsvik, Anna Delin, Samir Kumar Pal, Anders Bergman, Shivalika Sharma, Igor Di Marco, Patrik Thunstrom, Peter M. Oppeneer, Olle Eriksson
Summary: We have investigated the dynamic magnetic properties of V-based kagome stibnite compounds by combining magnetic parameters extracted from ab initio calculations with atomistic spin dynamics simulations. Our calculations show the existence of a complex magnetic landscape, including commensurate and incommensurate spin spirals, in addition to a ferromagnetic order. These chiral magnetic textures may be the key to understanding the observed inherent breaking of symmetry.
Article
Geosciences, Multidisciplinary
Hua Yang, Peixue Dou, Tingting Xiao, Yunguo Li, Joshua M. R. Muir, Feiwu Zhang
Summary: Under inner core conditions, FeHx tends to have a hexagonal close-packed (hcp) structure due to low hydrogen concentration and elevated temperature. Lattice hydrogen hardens the wave velocities of iron while superionic hydrogen softens it. Both fcc-FeH and hcp-FeH can match inner-core wave velocities and Poisson's ratio, supporting the hypothesis of hydrogen as a vital light element in the Earth's core.
GEOPHYSICAL RESEARCH LETTERS
(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)