Article
Chemistry, Multidisciplinary
Viviane V. Nascimento, Wellington Q. Neves, Rafael S. Alencar, Guanghui Li, Chengyin Fu, Robert C. Haddon, Elena Bekyarova, Juchen Guo, Simone S. Alexandre, Ricardo W. Nunes, Antonio G. Souza Filho, Cristiano Fantini
Summary: This study explains the mechanism behind the strong enhancement of Raman signals of sulfur chains encapsulated by single-wall carbon nanotubes, and demonstrates the influence of excited nanotube-chain-hybrid electronic states on the signal enhancement through experimental observations and theoretical calculations.
Article
Chemistry, Physical
Weilu Gao, Davoud Adinehloo, Xinwei Li, Ali Mojibpour, Yohei Yomogida, Atsushi Hirano, Takeshi Tanaka, Hiromichi Kataura, Ming Zheng, Vasili Perebeinos, Junichiro Kono
Summary: This study investigates the chirality-dependent electronic transport properties of single-chirality SWCNT films, revealing pronounced electronic localization phenomena and providing insights for designing and deploying macroscopic SWCNT solid-state devices. The research highlights the importance of understanding chirality-dependent behaviors in SWCNTs for various applications.
Review
Biochemistry & Molecular Biology
Shu-Yu Guo, Peng-Xiang Hou, Feng Zhang, Chang Liu, Hui-Ming Cheng
Summary: This review presents the potential of single-wall carbon nanotubes (SWCNTs) as candidate materials for flexible gas sensors. It introduces the sensing mechanism, structure parameters, design, fabrication, and performance of SWCNT-based gas sensors, and discusses the principles and possible approaches to further improve their performance.
Article
Chemistry, Multidisciplinary
Yui Konno, Rina Morooka, Tatsunari Morishita, Pei Zhao, Naoto Miyasaka, Kazuki Ono, Akira Noda, Daiki Uchida, Ren Iwasaki, Michio Yamada, Masahiro Ehara, Yutaka Maeda
Summary: Functionalization of single-walled carbon nanotubes (SWNTs) using a series of bromoalkanes and dibromoalkanes with different tether lengths was investigated. Longer tether lengths (six or more) resulted in SWNT adducts with two new photoluminescence (PL) peaks, while shorter tether lengths (3-5) produced single peaks. The formation mechanism of functionalized adducts was found to be influenced by the tether length, with shorter tethers tending to produce kinetic products.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Kun Huang, Ji Yao
Summary: The study introduces a new model to analyze the mechanical properties of SWCNTs under temperature and electrostatic fields, revealing that the classical beam model underestimates their influence.
Article
Chemistry, Multidisciplinary
Dusan Vobornik, Maohui Chen, Shan Zou, Gregory P. P. Lopinski
Summary: This study identifies two issues that can impact the accuracy of AFM measurements of single-wall carbon nanotubes' diameter. The proposed protocol effectively reduces errors associated with these issues. An analysis method is developed to minimize uncertainties in the extraction of diameters from measured images. The method is successfully applied to measure the diameter distribution of individual highly semiconducting enriched nanotubes in networks.
Article
Materials Science, Multidisciplinary
Md Ishfak Tahmid, Md Asaduz Zaman Mamun, Ahmed Zubair
Summary: This study presents an extensive investigation on the optical characteristics of SWCNTs and MWCNTs using the FDTD simulation technique, showing that absorption enhancement is achieved by changing geometrical shapes. Different shapes of CNTs exhibit varied absorption and reflectance rates at specific wavelengths and tube heights.
OPTICAL MATERIALS EXPRESS
(2021)
Article
Chemistry, Physical
Matias Blanco, Sara Cembellin, Stefano Agnoli, Jose Aleman
Summary: A half-sandwich ruthenium-p-cymene organometallic complex has been immobilized on the sidewalls of Single Walled Carbon Nanotubes (SWNT) through a stepwise covalent chemistry protocol, enabling efficient transfer hydrogenation of ketones to alcohols. The hybrid material shows high activity, recyclability and improved performance compared to related homogeneous catalysts due to the covalent bond between the metal and the material, achieving high turnover frequencies.
Article
Chemistry, Physical
Pierantonio De Luca, Carlo Siciliano, Anastasia Macario, Janos B. Nagy
Summary: This study compared the performance of four different types of multi-walled carbon nanotubes in treating benzoic acid contaminated water, and found that the nanotubes thermally treated at 900 degrees Celsius exhibited the best adsorption rate and capacity, even outperforming activated carbons.
Article
Environmental Sciences
Thanasis Mpouras, Angeliki Polydera, Dimitris Dermatas, Nicola Verdone, Giorgio Vilardi
Summary: pH value is the most crucial factor influencing the adsorption efficiency of MWCNTs, with Cr(VI) adsorption being inversely proportional to pH value and significantly decreased above 7. MWCNTs exhibit high adsorption capacity and the adsorption process is fast, being almost completed within 1 hour. The experimental results were interpreted using different isotherm models.
Article
Environmental Sciences
Mariana G. Oliveira, Marcela P. Spaolonzi, Emanuele D. V. Duarte, Heloisa P. S. Costa, Meuris G. C. da Silva, Melissa G. A. Vieira
Summary: This paper investigated the adsorption of CIP and OFL in single and multicomponent systems using modified carbon nanotubes as adsorbents. Characterization analyses and kinetic studies revealed the involvement of n-n and π-π interactions and the equilibrium time and adsorptive capacity of the drugs. The selectivity analysis showed identical selectivities in equimolar fractions, and mathematical modeling and artificial neural networks improved the prediction of system behavior.
ENVIRONMENTAL RESEARCH
(2023)
Article
Multidisciplinary Sciences
T. P. Radhika, Satyananda Kar
Summary: This study investigates the effect of an additional floating electrode on the properties of an atmospheric pressure plasma jet with a cross-field electrode configuration. The experiments show that the presence of an additional floating electrode reduces the power required for the plasma jet to cross the nozzle and increases the jet length. The threshold power and maximum jet length depend on the width of the electrode. The analysis also reveals an improvement in the reactivity of the plasma plume due to the increased optical emission intensity and relative yield of ions in the presence of the additional floating electrode.
SCIENTIFIC REPORTS
(2023)
Article
Polymer Science
Mariem Saoudi, Boubaker Zaidi, Abdullah A. Alotaibi, M. G. Althobaiti, Eid M. Alosime, Ridha Ajjel
Summary: The structure and optical properties of PANI/SWCNTs nanocomposite were studied using various characterization methods and theoretical calculations. The doping and functionalization processes were found to improve the properties of the resulting nanocomposite significantly. The resulting interpenetrating network exhibited an optical gap of nearly 2.28 eV and showed potential for applications in photovoltaics and advanced oxidation processes.
Article
Chemistry, Multidisciplinary
Gang Wang, Dan Han, Qingyu Zhang
Summary: This study developed a dual-signal strategy using anodic stripping voltammetry (ASV) and cyclic voltammetry (CV) for highly sensitive detection of circulating tumour cells (CTCs). The dual-signal biosensor overcame the limitations of any single-signal mode and improved the detection reliability and precision.
Article
Chemistry, Multidisciplinary
Jiseong Kim, Da-Bin Park, Jae Hong Choi, Minki Jo, Seokhui Kim, Pilgun Oh, Yoonkook Son
Summary: Surface-functionalized carbon nanotubes (CNTs) were successfully synthesized by dry ball milling for industrial application. The optimal conditions, including the content of carboxyl group induced on CNTs surface, were determined based on the ball milling time. CNTs-30s showed high dispersibility in N-methyl-2-pyrrolidone (NMP) while retaining most carboxyl groups and maintaining high conductivity. The excellent performance of CNTs-30s was confirmed in terms of rate capability and 5C/5C cyclability for Li1+x(Ni1-y-zCoyMnz)(1-x)O-2 cathode with 60% Ni (NCM622), due to a well-formed conductive network.
Article
Materials Science, Multidisciplinary
Dayvid de Sousa Miranda, Fabricio Morais de Vasconcelos, Vincent Meunier, Eduardo Costa Girao
Summary: Recent studies have focused on the impact of boron substitution on graphitic nanowiggles, showing significant changes in electronic behavior and the emergence of non-trivial spin-polarized distributions, indicating high potential for application in nanoscale devices.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Thaina Araujo Oliveira, Paloma Vieira Silva, Aldilene Saraiva-Souza, Jose Gadelha da Silva Filho, Eduardo Costa Girao
Summary: In this study, a set of nonconventional graphyne lattices inspired by sp(2) nanocarbon sheets, known as haeckelites, is proposed and their electronic properties are investigated using density functional theory methods. These lattices exhibit stability and metallic nature, but differ significantly from the original haeckelites in terms of electronic properties.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Luis Eduardo Leite Macedo, Aaron Kleger, Vincent Meunier, Eduardo Costa Girao
Summary: The electronic properties of two-dimensional carbon allotropes were investigated using density functional theory. The C57 and C65 systems were found to exhibit metallic behavior and spin-polarized states, making them suitable for applications in spintronics. Additionally, a non-trivial spin distribution and corrugated phases were observed in one of the 2D parent structures, which was not reported previously.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Thaina Araujo Oliveira, Paloma Vieira Silva, Vincent Meunier, Eduardo Costa Girao
Summary: In the past decade, controlled assembly of clean-edged and defect-free graphene nanoribbons has been achieved through surface-assisted reactions using well-defined molecular precursors. Recently, the successful realization of a bisanthene-like quantum dot with pairs of pentagon-heptagon defects has been accomplished. By studying the electronic properties of systems based on the concatenation of SW-bisanthene motifs, it has been shown that nanoribbons with SW-defects maintain their semiconducting character. Notably, frontier levels exhibit behaviors that affect the carrier mobilities of both electrons and holes. Additionally, the electronic transport properties of nanojunctions composed of graphene nanoribbons with a localized distribution of SW-defects compatible with the geometry of the corresponding bisanthene-like blocks have been investigated, and it has been found that the transmission spectrum is sensitive to the position and concentration of SW-defects.
Article
Chemistry, Physical
Eduardo Costa Girao, Alastair Macmillan, Vincent Meunier
Summary: This article proposes a taxonomy for two-dimensional single-layer carbon allotropes, where each allotrope is assigned a unique symbol based on its geometry. The naming scheme is demonstrated for known structures and additional topology-allowed carbon systems. The symbol provides easy access to geometrical features and simplifies the classification of structures in the literature, which often have arbitrary names. This naming scheme will aid future studies on this class of systems. The energetic properties of the structures are also compared using consistent numerical parameters. The naming scheme can be extended to carbon systems with mixed hybridizations and other non-carbon 2D systems.
Article
Nanoscience & Nanotechnology
Caio Vitor Teixeira Costa, Aaron Kleger, Paloma Vieira Silva, Vincent Meunier, Eduardo Costa Girao
Summary: In this study, hexapentalene structures with hexagonal symmetry are introduced, which can be either metallic or semiconducting. The electronic properties of nanoribbons formed by hexapentalene lattices are also investigated, and it is found that their electronic signatures closely resemble those of their two-dimensional counterparts.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2023)
Article
Chemistry, Multidisciplinary
Julia Vaz Schultz, Mariana Zancan Tonel, Mirkos Ortiz Martins, Solange Binotto Fagan
Summary: Nanocarriers are utilized to enhance treatment by connecting biomolecules with other structures, allowing for better drug delivery or utilizing the properties of biomolecules to improve efficacy. This study evaluated the binding affinity between apigenin and orientin, two biomolecules with therapeutic properties, and the receptor-binding domain of spike protein from the Delta and Omicron variants of COVID-19. The results showed that all structures exhibited affinity with the protein targets, indicating their potential as inhibitors of SARS-CoV-2 infection. Additionally, graphene oxide was found to have weak binding energy with apigenin and orientin, suggesting physical adsorption and the potential for nanocarrier development.
STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Mayara B. B. Leao, Laura F. O. Vendrame, Solange B. B. Fagan, Ivana Zanella, Iuri M. M. Jauris, Jose R. Bordin, Carolina F. F. de Matos
Summary: This study aimed to understand the adsorption process of methylene blue in three-dimensional graphene-based materials using a combination of different experiments and multi-scale theoretical approaches. The experiments involved studying the adsorption of methylene blue dye onto graphene with varying amounts of reducing agent, resulting in different pore sizes and degrees of oxidation. Kinetic and equilibrium isotherm studies were conducted, along with the application of kinetic and isothermal models. The study also employed density functional theory (DFT) simulations and large-scale coarse-grained simulations to analyze the interaction between methylene blue and graphene at both quantum and micrometer scales, respectively.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Montcharles S. Pontes, Jaqueline Silva Santos, Jose Luiz da Silva, Thaiz B. A. R. Miguel, Emilio Castro Miguel, Antonio G. Souza Filho, Flavio Garcia, Sandro Marcio Lima, Luis Humberto da Cunha Andrade, Gilberto J. Arruda, Renato Grillo, Anderson R. L. Caires, Etenaldo Felipe Santiago
Summary: In this study, the effect of superparamagnetic iron oxide nanoparticles (SPIONs) carrying usnic acid (UA) on the soil microbial community was evaluated. The results showed that the free UA impaired the soil microbial community, while loading it into the nanoscale magnetic carrier reduced the negative effects. The use of SPIONs as bioherbicide nanocarriers can potentially improve agricultural productivity and food security.
Article
Chemistry, Physical
Guilherme Oliveira Vargas, Carlos Schnorr, Franciane Bastista Nunes, Theodoro da Rosa Salles, Mariana Zancan Tonel, Solange Binotto Fagan, Ivana Zanella da Silva, Luis F. O. Silva, Sergio Roberto Mortari, Guilherme Luiz Dotto, Cristiano Rodrigo Bohn Rhoden
Summary: This study reports the synthesis of magnetic graphene oxide (GO Fe3O4) with different amounts of iron nanoparticles for the adsorption of furosemide (FUR). The optimal adsorbent was found to be GO Fe3O4 1:1, with a removal percentage and adsorption capacity of 96.15% and 96.91 mg g-1, respectively, at pH 3.0 and 293.15 K. The process was influenced by initial concentration, adsorbent dosage, and pH, while the ionic strength had minimal effect on the performance of GO Fe3O4 1:1. Sips and PSO models were the best fit for the experimental data, indicating a heterogeneous surface. GO Fe3O4 1:1 exhibited high removal percentage even after several cycles of adsorption/desorption.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Spectroscopy
Ian R. Amaral, Daniel M. Vasconcelos, Antonio G. Souza Filho, Victor V. Oliveira, Rafael S. Alencar, Alan S. de Menezes, Raphael L. M. Lobato, Luciano A. Montoro
Summary: Technological advances have led to a growing demand for energy, which has become a bottleneck for the development of complex equipment and processes. Therefore, there is a constant need for more efficient materials and techniques to improve the efficiency of energy storage devices.
JOURNAL OF RAMAN SPECTROSCOPY
(2023)
Article
Chemistry, Analytical
Shivender Singh Saini, Guillermo J. Copello, Solange Binotto Fagan, Mariana Zancan Tonel
Summary: A comparative investigation into the extraction of bisphenol A using alpha, beta, and gamma cyclodextrins was performed with computational and spectroscopic assistance. A mu-solid-phase extraction podium and HPLC-UV were used for extraction and analysis. Beta-cyclodextrin was selected as the adsorbent for bisphenol A extraction based on density functional theory calculations and spectroscopy data. Optimization of various parameters led to a limit of detection of 0.70 ng/ml and a limit of quantification of 2.31 ng/ml with beta-cyclodextrin in real source water samples, demonstrating the development of a novel, simple, sensitive, and economic analytical method.
JOURNAL OF SEPARATION SCIENCE
(2023)
Review
Environmental Sciences
IIcaro Vasconcelos do Nascimento, Lais Gomes Fregolente, Arthur Prudencio de Araujo Pereira, Carla Danielle Vasconcelos do Nascimento, Jaedson Claudio Anunciato Mota, Odair Pastor Ferreira, Helon Hebano de Freitas Sousa, Debora Goncala Gomes da Silva, Lucas Rodrigues Simoes, A. G. Souza Filho, Mirian Cristina Gomes Costa
Summary: Drylands are fragile environments that require careful management for sustainable development. Biochar application can improve soil quality, structure, and reduce salinity. It also enhances soil fertility and microbial biomass, promoting ecological restoration in dryland areas.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Physical
F. D. V. Araujo, F. W. N. Silva, T. Zhang, C. Zhou, Zhong Lin, Nestor Perea-Lopez, Samuel F. Rodrigues, Mauricio Terrones, Antonio Gomes Souza Filho, R. S. Alencar, Bartolomeu C. Viana
Summary: In this study, the behavior of monolayer WS2 on a drilled Si3N4 substrate was investigated through Raman spectroscopy and photoluminescence measurements. It was found that the Si3N4 substrate affects the optical properties of monolayer WS2. Density functional theory and quantum molecular dynamics simulations showed that strain and charge transfer mechanism are important factors for the decrease in photoluminescence.
Article
Chemistry, Physical
Thaina Araujo Oliveira, Paloma Vieira Silva, Eduardo Costa Girao
Summary: Graphyne nanoribbons, composed of hybridized atoms, show similar electronic behavior to their 2D counterparts, with some becoming semiconductors due to spin-polarized states at their edges. The findings demonstrate how the atomic structure of these nanoribbons can be tuned for targeted applications in nanoelectronics.
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)
