Article
Chemistry, Multidisciplinary
P. Elli Stamatopoulou, Sotiris Droulias, Guillermo P. Acuna, N. Asger Mortensen, Christos Tserkezis
Summary: This paper introduces and analyzes the concept of manipulating optical chirality by strongly coupling the optical modes of chiral nanostructures with excitonic transitions in molecular layers or semiconductors. By demonstrating the generation of two spectral branches that retain the object's high chirality density through strong coupling with a nearby excitonic material, the authors propose that post-fabrication manipulation of optical chirality can be achieved. These findings are further verified through simulations of circular dichroism in a realistic chiral architecture.
Article
Chemistry, Analytical
Wen Lei, Jun Hu, Hong-Yuan Chen, Jing-Juan Xu
Summary: Accurate measurements of G-quadruplexes (G4s) and their interactions with metal ions and ligands under physiological conditions are crucial for understanding their biological roles and developing antitumor drugs. This study demonstrated for the first time that G4 ions can be directly released from common biochemical buffers and analyzed using mass spectrometry without non-specific adduction. The intermediate complexes of G4s with mixed di-cation coordination were successfully observed, and their structures were revealed by circular dichroism spectra.
ANALYTICAL CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Tzu-Pei Chen, Jun-Xiao Lin, Cheng-Chieh Lin, Chi-Ying Lin, We-Chen Ke, Di-Yan Wang, Hua-Shu Hsu, Chia-Chun Chen, Chun-Wei Chen
Summary: This work demonstrates the strong excitonic magneto-optic effects of magnetic circular dichroism and Faraday rotation in nonmagnetic two-dimensional organic-inorganic hybrid Ruddlesden-Popper perovskites at room temperature, opening up new research directions for MO and magneto-optoelectronic applications.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Plant Sciences
Gwi Ja Hwang, Mina Jang, Sangkeun Son, Gil Soo Kim, Byeongsan Lee, Kyung Taek Heo, Geum Jin Kim, Hyukjae Choi, Jae-Seoun Hur, Jun-Pil Jang, Sung-Kyun Ko, Young-Soo Hong, Jong Seog Ahn, Jae-Hyuk Jang
Summary: In this study, a new secondary metabolite, ulleungdolin, was isolated from the co-culture of an actinomycete and a fungus. Ulleundolin exhibited antimigration effect on breast cancer cells.
JOURNAL OF NATURAL PRODUCTS
(2022)
Article
Chemistry, Medicinal
Jesse Vanloon, Thad Harroun, Hongbin Yan
Summary: This study reports the first CD profiles of nucleic acids at submM concentrations, which are relevant to nucleic acid concentrations in cellular cytoplasm and nucleus, providing a new approach for studying nucleic acid conformations under biologically relevant conditions.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
(2021)
Article
Plant Sciences
Khong Trong Quan, Hyun Bong Park, Hanna Yuk, Seung Jin Lee, MinKyun Na
Summary: In this study, new dimeric coumarins Paratrimerins J-Y (1-13 and 16-18) were isolated from the stems of Paramignya trimera using LC/MS guided isolation, and their structures and absolute configurations were determined. The cytotoxicity of the dimers against various human cancer cell lines was evaluated, with Paratrimerin W (16) showing cytotoxicity against Huh7 hepatocellular carcinoma, HT1080 fibrosarcoma, and HT29 colorectal cancer cells.
JOURNAL OF NATURAL PRODUCTS
(2021)
Article
Chemistry, Physical
I. J. Lalov, N. A. Kojouharova
Summary: This paper presents a theoretical study of the excitonic spectra in a hexagonal two-dimensional lattice of trimers of bacteriorhodopsin (BR). The calculations utilize the dielectric permittivity and gyration tensor to determine the components near the electronic excitation frequency. The results demonstrate different circular dichroism signals under oblique and perpendicular incidence, showing the influence of excitonic coupling and intrinsic gyrotropy.
Article
Biochemistry & Molecular Biology
Adriana Volna, Martin Bartas, Vaclav Karlicky, Jakub Nezval, Kristyna Kundratova, Petr Pecinka, Vladimir Spunda, Jiri Cerven
Summary: A stable G-quadruplex has been identified in the gene RPB1, encoding for RNA polymerase II, and is highly evolutionarily conserved among plants. A new hypothesis suggests the interaction of G-quadruplexes with UV light in plants to potentially form an additional layer of regulatory network.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Plant Sciences
Hector M. Arreaga-Gonzalez, Antonio J. Oliveros-Ortiz, Rosa E. del Rio, Gabriela Rodriguez-Garcia, J. Martin Torres-Valencia, Carlos M. Cerda-Garcia-Rojas, Pedro Joseph-Nathan, Mario A. Gomez-Hurtado
Summary: The study focuses on the chiral composition and absolute configuration of epoxythymols, exploring different experimental methods to determine their enantiomeric ratios and absolute configurations. The research was conducted on epoxythymols from Piptothrix areolare, resulting in significant findings regarding their chiral properties.
JOURNAL OF NATURAL PRODUCTS
(2021)
Article
Materials Science, Multidisciplinary
Bing Tang, Shixun Wang, Haochen Liu, Nanli Mou, Arsenii S. Portniagin, Peigang Chen, Ye Wu, Xiaoqing Gao, Dangyuan Lei, Andrey L. Rogach
Summary: Due to their attractive optical and chiroptical properties, chiral metal halide perovskites have gained increasing attention for their potential applications in various fields. Recent studies have reported the presence of either intrinsic or extrinsic chirality in metal halide perovskite nanocrystals, and the interaction between these two types of chirality remains to be explored. This study investigates the inversion and modulation of excitonic optical activity in intrinsically chiral perovskite nanoplatelets, revealing the role of structural chirality and surface chiral ligands in inducing these effects. These findings contribute to a better understanding of the modulation of excitonic optical activity in chiral perovskites and can inform the design and synthesis of novel chiral materials.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
C. Elizabeth Killalea, Mario Samperi, Giuliano Siligardi, David B. Amabilino
Summary: In this study, thin films of a chiral diketopyrrolopyrrole derivative were examined using spatially-defined Mueller Matrix Polarimetry, with a focus on the Circular Dichroism signal. The impact of deposition techniques and thermal annealing on chiral supramolecular structures in the solid state was investigated. It was found that spun-coated films showed homogeneity, while drop-coating resulted in chiroptical diversity in the material, a feature that cannot be observed using absorption spectroscopy or optical microscopy.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Organic
Taewan Kim, Samhwan Kim, Garam Chung, Kiyoung Park, Sunkyu Han
Summary: The determination of complex natural product structures involves establishing atom connectivity using NMR data and assigning stereochemistry, which remains challenging. This study utilizes TDDFT computations to analyze ECD spectra and elucidate the structure of suffruticosine. By comparing TDDFT-assisted ECD assignments with experimental ECD spectra, the true structure of suffruticosine is found to be the enantiomer of the initially reported structure.
ORGANIC CHEMISTRY FRONTIERS
(2023)
Review
Spectroscopy
Krzysztof Karon, Mieczyslaw Lapkowski, Jan Cz Dobrowolski
Summary: The ECD spectroelectrochemical method has mainly been focused on organic and marginally inorganic chiroptical switching, as well as biochemical redox reactions. However, despite its importance, the history of ECD SEC studies is relatively short and has not received widespread attention.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Review
Instruments & Instrumentation
Siyuan Zhu, Mengtao Sun
Summary: This article briefly describes the principles, methods, and applications of electronic circular dichroism (ECD) and Raman optical activity (ROA) in practical cases. ECD is widely used for configuration determination in rigid and flexible systems, while ROA has unique applications in biological structures. Researchers often combine ECD with other methods to improve accuracy and save time.
APPLIED SPECTROSCOPY REVIEWS
(2021)
Article
Chemistry, Organic
Takayuki Kanagawa, Shigetoshi Tachibana, Yoshiaki Masaki, Kohji Seio
Summary: A cyclic nucleoside has been designed and synthesized to introduce specific conformations into functional nucleic acids by fixing the rotation, base orientation, and sugar structure.
Article
Chemistry, Physical
Michele Nottoli, Patrizia Mazzeo, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Summary: Hybrid TDDFT/MM approaches are popular for describing electronic transitions of molecules in solution or complex matrices. However, when combined with a polarisable force field, problems may arise. This paper presents a possible solution by introducing a Delta SCF formulation, which is expected to be particularly suitable for accurately describing charge-transfer states.
Review
Chemistry, Medicinal
Matteo Cei, Lorenzo Di Bari, Francesco Zinna
Summary: In this short review, the authors collected the dissymmetry factors associated with the first Cotton effect of the ECD spectrum for 170 [n]-helicenes. They found reasonable correlations between luminescence and absorption, suggesting similarity in the stereochemistry of the ground and emitting excited states for most helicenes. These results can be helpful in rationalizing chiroptical data and designing new helicene structures with desired CPL properties.
Article
Chemistry, Physical
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Summary: We propose a machine learning strategy to calculate the excitonic properties of light harvesting complexes. By combining molecular dynamics simulations with ML prediction of the excitonic Hamiltonian, the proposed model can account for geometric fluctuations and electrostatic interactions. The model is trained on chlorophylls but can extrapolate beyond the training set, and its accuracy is demonstrated through simulations of absorption spectra in different environments.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Review
Chemistry, Multidisciplinary
Oliver G. Willis, Francesco Zinna, Lorenzo Di Bari
Summary: In recent years, there has been a resurgence of interest in circularly polarized luminescence (CPL) due to its popularity as a spectroscopic technique and improved accessibility to instruments. New efficient CPL emitters have been developed and various applications have been proposed. Although most examples of CPL are in the visible range, there are limited cases of near infrared (NIR) CPL active complexes. NIR-CPL compounds have potential applications in the telecommunication industry, electronic devices, and bioassays. This review provides an overview of recent developments in NIR-CPL measurements and discusses the chiroptical properties of metal complexes that achieve this capability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Krzysztof Nowak, Olaf Morawski, Francesco Zinna, Gennaro Pescitelli, Lorenzo Di Bari, Marcin Gorecki, Marek Grzybowski
Summary: Chiral fluorescent macrocycles, consisting of dimethyl 2,5-diaminoterephthalate units, can be easily synthesized from inexpensive building blocks. Depending on the concentration, the reaction mainly produces a paracyclophane-like dimer or a triangular trimer. These macrocycles exhibit fluorescence in solution and the solid state, with red-shifted maxima as the size of the macrocyclic ring decreases. Chirality affects their absorption and emission of circularly polarized light.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Editorial Material
Chemistry, Multidisciplinary
Gianluigi Albano, Francesco Zinna, Andrea Taddeucci, Maria Annunziata M. Capozzi, Gennaro Pescitelli, Angela Punzi, Lorenzo Di Bari, Gianluca M. Farinola
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Manoop Chenchiliyan, Joachim Kuebel, Saik Ann Ooi, Giacomo Salvadori, Benedetta Mennucci, Sebastian Westenhoff, Michal Maj
Summary: Phytochromes are photoreceptor proteins with a bound chromophore that can convert between two forms upon photoexcitation. This study uses isotope-labeling techniques to isolate the vibrational bands of the chromophore and reveals its structure and dynamics through 2D infrared spectroscopy and molecular dynamics simulations. The research provides insights into how point mutations in the protein sequence affect the chromophore's hydrogen-bonding structure and photoisomerization ability.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Shaima Hashem, Giovanni Battista Alteri, Lorenzo Cupellini, Benedetta Mennucci
Summary: We use a combination of microsecond MD simulations and (polarizable) QM/MM calculations of NMR, FTIR, and UV-vis spectra to confirm the structure of the light-activated form of AppA photoreceptor. Our simulations demonstrate that the observed spectral features are directly linked to the tautomer form of glutamine, supporting the PCET mechanism. Furthermore, we observe small but significant structural changes in AppA, which propagate from the flavin binding pocket to the protein surface.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Laura Pedraza-Gonzalez, Edoardo Cignoni, Jacopo D'Ascenzi, Lorenzo Cupellini, Benedetta Mennucci
Summary: In response to varying light conditions, light-harvesting complexes (LHCs) undergo conformational changes to protect the photosynthetic organism from excessive light irradiation. Activation of the non-photochemical quenching (NPQ) mechanism is triggered by the acidification of the thylakoid lumen, resulting in a switch from a light-harvesting state to a quenched state. The pH sensitivity of the complex is driven by protonation of specific residues, and the quenching mechanism is controlled by a charge-transfer process controlled by the protein conformation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Chemistry, Multidisciplinary
Michele Nottoli, Mattia Bondanza, Patrizia Mazzeo, Lorenzo Cupellini, Carles Curutchet, Daniele Loco, Louis Lagardere, Jean-Philip Piquemal, Benedetta Mennucci, Filippo Lipparini
Summary: This article describes the development, implementation, and application of a polarizable QM/MM strategy based on the AMOEBA polarizable force field for calculating molecular properties and performing dynamics of molecular systems embedded in complex matrices. The authors demonstrate that this technology is well-understood and mature, and it can be efficiently implemented using advanced numerical methods and linear scaling techniques. The polarizable QM/AMOEBA approach has a wide range of applications, including predicting spectroscopies and performing multiscale ab initio molecular dynamics simulations.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2023)
Article
Education & Educational Research
Maria Antonietta Carpentieri, Gioia Fano, Sandro Jurinovich, Valentina Domenici
Summary: This study aimed to design, optimize, and implement a didactic sequence on light phenomena, including the basic principles of reflection, refraction, interference, diffraction, and light dispersion, as well as ultraviolet-visible spectroscopy and spectroscopic instruments. By investigating the difficult concepts of light phenomena and using inquiry-based learning, interactive STEM laboratory activities, and a historical epistemological teaching method, this study aimed to help high-school students better understand and apply these concepts in analytical chemistry applications.
EDUCATION SCIENCES
(2023)
Editorial Material
Chemistry, Medicinal
Gennaro Pescitelli, Lorenzo Di Bari, Jerome Lacour, Reiko Oda, Nina Berova, Oliver Trapp, Simona Collina
Article
Chemistry, Medicinal
Gianluigi Albano, Laura Antonella Aronica, Gennaro Pescitelli, Lorenzo Di Bari
Summary: In this study, we synthesized a series of structurally related chiral oligothiophenes with a 1,4-diketo-3,6-diarylpyrrolo[3,4-c]pyrrole (DPP) unit as the central core. These oligothiophenes were functionalized with the same (S)-3,7-dimethyl-1-octyl chains on the nitrogen atoms of lactam moieties, differing only in the number of lateral thiophene units. We evaluated the aggregation modes of these chiral systems through UV-Vis absorption and ECD spectroscopies in solution aggregation conditions and as thin films, highlighting the impact of pi-conjugation length on their chiroptical properties. The study also revealed that the number of thiophene units attached to the DPP core affects both the propensity to aggregation and the helicity of aggregates.
Article
Chemistry, Physical
Vladislav Slama, Lorenzo Cupellini, Vincenzo Mascoli, Nicoletta Liguori, Roberta Croce, Benedetta Mennucci
Summary: This study uncovers the molecular mechanism for the formation and tuning of exciton-CT interactions in Lhca4 through molecular dynamics, multiscale quantum chemical calculations, and spectral simulations. The study shows that the coupling between exciton and CT states is extremely sensitive to tiny variations in the Chl dimer arrangement, explaining both the red-shifted bands and the switch between conformations with blue and red emission observed in single-molecule spectroscopy.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Amanda Arcidiacono, Davide Accomasso, Lorenzo Cupellini, Benedetta Mennucci
Summary: This study utilizes QM/MM surface hopping nonadiabatic dynamics to investigate the excited-state decay of canthaxanthin in OCP, revealing possible pathways for structural changes and photoactivation.
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)