Article
Chemistry, Applied
Yi Wang, Yoann Rousselin, Claude P. Gros, Frederic Bolze, Xu Liang, Weihua Zhu, Haijun Xu
Summary: Five beta-beta linked BODIPY dimers with different electron-donating/withdrawing groups were synthesized and their photophysical and electrochemical properties were investigated.
Article
Chemistry, Physical
Dawid Grabarek, Tadeusz Andruniow
Summary: The spectral properties of fluorescent proteins are influenced by their protein environment. By studying the interactions between the chromophore and the environment, researchers have found that modifying hydrogen bonds and electrostatic interactions can enhance the absorption spectra of fluorescent proteins. Additionally, creating a more hydrophilic environment for the chromophore may lead to improved spectral characteristics.
Article
Polymer Science
Martyna Durko-Maciag, Gilles Ulrich, Julien Massue, Jaroslaw Mysliwiec, Konrad Cyprych
Summary: This work demonstrates the successful application of Excited-State Intramolecular Proton Transfer (ESIPT) fluorophores as photoinitiators for microfabrication. The influence of chemical structure on this application was investigated, followed by analysis of two-photon polymerization. The study determined the quality of fabricated structures and polymerization thresholds, with one of the chromophores having an impressively low value of 11 nJ.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Optics
Saumya Biswas, S. J. van Enk
Summary: This article introduces a model for describing a type of two-photon detector consisting of one molecule that can detect two photons arriving sequentially in time. The detector model includes a Hamiltonian description for amplifying the microscopic change and converting it into a macroscopic signal.
Article
Chemistry, Physical
Daniel C. A. Valente, Mariana T. do Casal, Mario Barbatti, Thomas A. Niehaus, Adelia J. A. Aquino, Hans Lischka, Thiago M. Cardozo
Summary: Extended quantum chemical calculations were conducted for the tetracene dimer, comparing different methods for predicting ground- and excited-state geometries. While good agreement was observed between methods in spectral shape and state character, DFT/MRCI predicted a doubly excited-state character for the S-1 state.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Multidisciplinary Sciences
Amr A. A. Attia, Peter Reinholdt, Jacob Kongsted
Summary: The study investigates the application of the polarizable embedding method in DNA complexes and aqueous solutions, finding that the ESO issue affects result accuracy and can be addressed by using ECPs.
ADVANCED THEORY AND SIMULATIONS
(2021)
Article
Chemistry, Physical
Tay V. Nguyen, Takeshi Maeda, Tetsuya Matsuyama, Naoya Suzuki, Hiroyuki Nakazumi, Shigeyuki Yagi, Ayyappanpillai Ajayaghosh
Summary: In this study, we developed multi-branched and π-conjugated systems using squaraine dyes with triphenylamine cores connected by ethynylene linkers. We found that the interbranch coupling between squaraine branches significantly influenced their one-photon and two-photon absorption properties. Introducing triphenylamine cores in the squaraine dyes resulted in a red-shifted one-photon absorption and the increased absorption intensity with the number of chromophores, without apparent splitting or shift in absorption maxima. Moreover, the extended π-conjugation in these squaraine dyes with triphenylamine cores led to a significant enhancement in two-photon absorption. Notably, the 3-branched and 2-branched dyes demonstrated additional enhancement in two-photon absorption response, surpassing that of the monochromophoric counterpart.
Article
Chemistry, Physical
Xinyue Wang, Di Wang, Jia Li, Meixia Zhang, Peng Song
Summary: The theoretical study investigated the photoinduced charge transfer process of D-D-pi-A molecules, showing red shift in absorption spectrum and increased absorption intensity due to donor insertion. Visualization method was used to observe charge transfer in one- and two-photon absorption processes, with the thiazolo[5,4-d]thiazole donor insertion showing the largest TPA cross-section. This work contributes to understanding D-D-pi-A molecules and designing molecules with large cross-section TPA properties.
Article
Chemistry, Multidisciplinary
Elena Shornikova, Dmitri R. Yakovlev, Nikolay A. Gippius, Gang Qiang, Benoit Dubertret, Ali Hossain Khan, Alessio Di Giacomo, Iwan Moreels, Manfred Bayer
Summary: Colloidal semiconductor nanoplatelets exhibit strong quantum confinement for electrons and holes in one dimension, with significant increase in Coulomb interaction. The exciton binding energies are evaluated to be much higher compared to bulk CdSe, and comparable to monolayer-thick transition metal dichalcogenides.
Article
Chemistry, Organic
Jela Nociarova, Patrik Osusky, Erik Rakovsky, Dimitris Georgiou, Ioannis Polyzos, Mihalis Fakis, Peter Hrobarik
Summary: Direct iodination of benzothiazoles under strong oxidative/acidic conditions results in a mixture of iodinated heteroarenes with 1-2 major components, including 4,7-diiodobenzothiazoles with a rare substitution pattern as dominant products. These compounds have been utilized in the synthesis of a new class of highly efficient quasi-quadrupolar fluorophores, exhibiting large two-photon absorption cross sections in the near-infrared region.
Article
Multidisciplinary Sciences
Patrycja Stachelek, Lewis MacKenzie, David Parker, Robert Pal
Summary: The authors introduce a live-cell imaging system using chiroptical contrast, enabling the study of chiral interactions. They demonstrate simultaneous imaging of enantiomeric pairs of molecular probes emitting circularly polarised light, using both single and two-photon excitation.
NATURE COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Chern Chuang, Jianshu Cao
Summary: The study investigates the anisotropic dispersion properties of 2D dipolar excitonic systems, revealing linear energy dispersion in the in-plane direction and dispersionless behavior in the perpendicular direction, with unique spectroscopic signatures predicted.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Yanqi Ban, Linhong Hao, Zhenbo Peng, Lishui Sun, Lihua Teng, Yingjie Zhao
Summary: Two star-type push-pull chromophores (T1, T2) based on triphenylamine were designed and synthesized. The structures and molecular arrangement of the chromophores were confirmed by single-crystal X-ray diffraction. The photophysical research of T1 and T2 absorption characteristics and density functional theory (DFT) calculations verified their excellent two-photon absorption (TPA) properties. By adjusting the electronic structures of the chromophores, the TPA performance of the small organic molecule could be greatly enhanced, making them promising candidates for various two-photon applications.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Physical
Mattia Anzola, Anna Painelli
Summary: The physics of aggregates of polar and polarizable donor-acceptor dyes is discussed, with a model proposed to calculate exact absorption and fluorescence spectra for aggregates with up to 6 molecules. The two-step procedure involves a mean-field solution to define the excitonic basis and a diagonalization of the aggregate Hamiltonian for exact results, showing reliable description of aggregates in weak coupling and importance of ultraexcitonic effects in medium-strong coupling regimes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Carlo Bravin, Justyna A. Piekos, Giulia Licini, Christopher A. Hunter, Cristiano Zonta
Summary: Research has shown that aromatic stacking interactions play a crucial role in chemical and biological systems. Due to their strong dependence on orientation and solvent, as well as relatively small interaction energies, evaluating and rationalizing these interactions remains a challenge for experimental and theoretical chemists.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
D. Giavazzi, S. Saseendran, F. Di Maiolo, A. Painelli
Summary: This paper introduces a model that combines molecular aggregates and resonance energy transfer (RET) by utilizing electrostatic intermolecular interactions. The model can describe both RET and energy delocalization and is applicable in both weak and strong coupling regimes, while considering the quantum nature of molecular vibrations.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Silvia D'Auria, Alessandro Pedrini, Ilaria Ferraboschi, Jerome Vachon, Cristina Sissa, Roberta Pinalli, Enrico Dalcanale
Summary: In this study, the researchers used two-photon microscopy (2PM) to investigate the compatibility between PE-HEMA and EVOH at the sub-micrometer level. 2PM is a nonlinear fluorescence imaging technique commonly used for thick biological tissue analysis. Polymer blending was visualized using 3D images obtained through 2PM. It was observed that the functionalized PE-HEMA, when reacted with ODIN, formed uniformly distributed blends on the surface and in the bulk, and repeated reprocessing partially reversed the compatibilization by forming ODIN dimers as the most stable H-bonding array in the solid state.
Article
Chemistry, Multidisciplinary
K. Swathi, Meleppatt Sujith, P. S. Divya, P. Merin Varghese, Andrea Delledonne, D. K. Andrea Phan Huu, Francesco Di Maiolo, Francesca Terenziani, Andrea Lapini, Anna Painelli, Cristina Sissa, K. George Thomas
Summary: The phenomenon of excited-state symmetry breaking is often observed in multipolar molecular systems, significantly affecting their photophysical and charge separation behavior. In this study, the intrinsic factors regulating excited-state symmetry breaking in multibranched systems are explored using a combination of experimental and theoretical investigation. It is found that the large Stokes shifts observed in highly symmetric phenyleneethynylenes can be explained by the presence of low-lying dark states, as confirmed by two-photon absorption measurements and TDDFT calculations. In addition, an intense fluorescence emission is observed in these systems contrary to Kasha's rule, and this behavior is explained by a novel phenomenon called symmetry swapping, which describes the inversion of the energy order of excited states as a result of symmetry breaking.
Article
Pharmacology & Pharmacy
Felipe M. Gonzalez-Fernandez, Andrea Delledonne, Sara Nicoli, Paolo Gasco, Cristina Padula, Patrizia Santi, Cristina Sissa, Silvia Pescina
Summary: This research aims to develop nanostructured lipid carriers (NLC) for periocular administration of dexamethasone acetate for the treatment of ocular inflammation. The NLC was formulated using solid and liquid lipid mixtures, resulting in a particle size of 106.9 +/- 1.2 nm, PDI = 0.104 +/- 0.019, and zeta potential = -6.51 +/- 0.575 mV. Ex vivo permeation studies showed that dexamethasone acetate was metabolized into free dexamethasone and exhibited higher permeation capabilities across both sclera and choroid tissues.
Article
Chemistry, Multidisciplinary
Brunella Bardi, Katerina V. Vygranenko, Beata Koszarna, Olena Vakuliuk, Lukasz Dobrzycki, Daniel T. Gryko, Francesca Terenziani, Anna Painelli
Summary: A new method has been developed to prepare merocyanines, including rhodols, from readily available tetrafluorohydroxybenzaldehyde and aminophenols. This method enables the synthesis of merocyanines with three fluorine atoms and additional conjugated rings under neutral, mild conditions. The transformation of the rhodol chromophore into π-expanded merocyanines allows for the modulation of photophysical properties, such as shifting absorption and emission bands across the visible spectrum, achieving a large Stokes shift, high brightness, strong two-photon absorption, and solvatofluorochromism. Detailed investigation provides insights into the different spectroscopic behavior of rhodols and new merocyanines, including solvatochromism and two-photon absorption.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Medicinal
Francesco Bertocchi, Cristina Sissa, Anna Painelli
Summary: In this tutorial, we present two alternative methods for calculating the circular dichroism (CD) spectra of non-chiral chromophores in chiral supramolecular assemblies. Despite their apparent differences, these two approaches are based on the same underlying approximations, and are expected to yield similar results. By providing explicit analytical expressions for the CD responses of a dimer in both approaches, we demonstrate their perfect equivalence. Numerical results for larger systems further validate this outcome. This tutorial aims to provide young students and scientists entering the field with a useful introduction to the fascinating topic of supramolecular chirality.
Article
Chemistry, Inorganic & Nuclear
Silvia Ruggieri, Silvia Mizzoni, Chiara Nardon, Enrico Cavalli, Cristina Sissa, Michele Anselmi, Pier Giorgio Cozzi, Andrea Gualandi, Martina Sanadar, Andrea Melchior, Francesco Zinna, Oliver G. Willis, Lorenzo Di Bari, Fabio Piccinelli
Summary: This study synthesized and characterized three complexes and investigated their photophysical and thermodynamic properties. The results showed that the nature of the ligands had a significant impact on the properties of the complexes, and the properties of the complexes also affected their sensitization efficiency towards the metal ions. The ttaligand was found to be the optimal antenna for sensitizing Eu-(III) luminescence, while the Coum ligand sensitized better Tb-(III) luminescence.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Francesco Bertocchi, Andrea Delledonne, Guillem Vargas-Nadal, Francesca Terenziani, Anna Painelli, Cristina Sissa
Summary: Aggregates of cyanine dyes are investigated for their tunable spectral properties in this study. The study presents a joint experimental and theoretical analysis of different types of aggregates formed by a family of cyanine dyes. The analysis rationalizes the optical spectra using an essential-state model that takes into account intermolecular interactions, molecular polarizability, and vibronic coupling.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Luca Bellucci, Silvia Carlotto, Gregorio Bottaro, Luca Babetto, Luca Labella, Elisa Gallo, Fabio Marchetti, Simona Samaritani, Lidia Armelao
Summary: The interest in heterometallic lanthanide-d or -p metal (Ln-M) complexes is growing due to the potential cooperative or synergistic effect of two different metals in the same molecular architecture, leading to tunable physical properties. To exploit the potential of Ln-M complexes, suitable synthesis approaches and understanding the effect of each building block on their properties are essential.
Article
Chemistry, Analytical
Riccardo Speghini, Carlo Buscato, Stefania Marcato, Ilaria Fortunati, Barbara Baldan, Camilla Ferrante
Summary: This study investigates the impact of different in vitro conditions on the dose response in time of the long-term toxic effect of Cu(II) on Coccomyxa cimbrica sp.nov., a freshwater microalga. Three different cultivation protocols were tested to mimic various environmental conditions. The dose response of Cu(II) over time was monitored through chlorophyll a fluorescence intensity and fluorescence lifetime imaging, providing insights into the changes induced by Cu(II) in the microalga's photosynthetic cycle.
Article
Chemistry, Multidisciplinary
Francesco Bertocchi, Danilo Marchetti, Sandra Doria, Mariangela di Donato, Cristina Sissa, Mauro Gemmi, Enrico Dalcanale, Roberta Pinalli, Andrea Lapini
Summary: Our study investigates the impact of hydrogen bond-assisted H-aggregate formation on the optical properties of two functionalized naphthyridine derivatives, ODIN-EtPh and ODIN-But. Through a combination of techniques including X-ray and electron crystallography, spectroscopy, and pump-probe spectroscopy, we reveal that the formation of dimers for ODIN derivatives is inhibited in polar solvents while favored in solvents with poor hydrogen bond-forming capabilities. The presence of a phenyl group linked to the ureidic unit stabilizes the charge-transfer excited state of ODIN derivatives, leading to a reduction in fluorescence emission.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Nanoscience & Nanotechnology
Andrea Delledonne, Elisa Guazzelli, Silvia Pescina, Annalisa Bianchera, Giancarlo Galli, Elisa Martinelli, Cristina Sissa
Summary: The self-assembly properties of unimer micelles were utilized to prepare fluorescent nanocarriers encapsulating hydrophobic fluorophores. These nanocarriers were composed of a copolymer containing oligoethyleneglycol and perflurohexylethyl side chains, and formed small nanoparticles (<10 nm) with tunable properties in water. An easy procedure for encapsulating a small hydrophobic molecule within the nanocarriers was presented, and experimental data showed that the fluorophore was effectively embedded and maintained its emissive properties in water. Additionally, the dye-loaded nanocarriers demonstrated efficacy as a fluorescent probe in two-photon imaging of thick ex vivo porcine scleral tissue.
ACS APPLIED NANO MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Davide Giavazzi, Marvin F. Schumacher, Luca Grisanti, Mattia Anzola, Francesco Di Maiolo, Jennifer Zablocki, Arne Luetzen, Manuela Schiek, Anna Painelli
Summary: This study provides a combined experimental and theoretical investigation of a new type of chiral aggregates with structure-correlated excitonic properties in the visible to near-infrared spectral range. It is found that different alkyl chain lengths can lead to different aggregation scenarios and spectroscopic features, including simultaneous blue- and red-shifted signatures, as well as dominant blue-shifted signatures. The calculation of circular dichroism including intermolecular charge transfer is explicitly expressed for the first time.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Ettore Crovini, Rama Dhali, Dianming Sun, Tomas Matulaitis, Thomas Comerford, Alexandra M. Z. Slawin, Cristina Sissa, Francesco Azzolin, Francesco Di Maiolo, Anna Painelli, Eli Zysman-Colman
Summary: We have studied the synthesis, optoelectronic properties, and theoretical analysis of DMAC-py-TRZ, a novel TADF emitter. The structural difference between DMAC-py-TRZ and DMAC-TRZ leads to significant changes in their steric interactions and photophysics. While the bent structure of DMAC-py-TRZ hinders TADF, emission can be observed from a relaxed orthogonal excited-state geometry. The presence of both conformers in amorphous matrices contributes to the efficiency of DMAC-py-TRZ devices through efficient energy transfer.
JOURNAL OF MATERIALS CHEMISTRY C
(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)