Article
Multidisciplinary Sciences
Dahong Huang, Kali Rigby, Weirui Chen, Xuanhao Wu, Junfeng Niu, Eli Stavitski, Jae-Hong Kim
Summary: Atomic dispersion of metal catalysts on a substrate increases their atomic efficiency. However, the absence of neighboring metal sites can negatively impact the catalytic performance of single-atom catalysts (SACs) in certain industrial reactions. Metal ensemble catalysts (M-n) are a promising alternative to overcome this limitation. This study demonstrates that manipulating the coordination environment (CE) of M-n can enhance their catalytic activity.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Applied
Jianyang Zang, Wan Feng, Xingmao Chang, Ke Liu, Haonan Peng, Liping Ding, Taihong Liu, Yu Fang
Summary: The drastic changes in two-photon absorption coefficients resulting from slight changes of electronic delocalization through coordination interaction play a significant role in enhancing the nonlinear optical properties of multi-chromophore structures. Experimental results demonstrate that the 2PA phenomenon is the dominant factor contributing to the NLO properties of the complexes, with the values of degenerate 2PA cross sections being noticeably enhanced by coordination interactions. Importantly, the complexes exhibit high 2PA values and multiple excitation wavelengths, potentially offering a novel approach for creating useful nonlinear absorbing materials.
Article
Chemistry, Physical
Victor Dubois, Maxime Klausen, Frederic Castet, Jean-Baptiste Verlhac, Mireille Blanchard-Desce
Summary: A series of symmetrical conjugated dimeric coumarinyl cages was synthesized by grafting 7-diethlyamino-coumarin (DEAC) cages onto different aromatic cores with various electronic characters. These dimeric derivatives showed enhanced two-photon absorption, with the highest response obtained from the electron-withdrawing core. The nature of the core also influenced the uncaging quantum yield, with the carbazole core showing the highest yield.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
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
Multidisciplinary Sciences
Bing Gu, Daniel Keefer, Flavia Aleotti, Artur Nenov, Marco Garavelli, Shaul Mukamel
Summary: This study demonstrates that two-photon excitation with quantum light can influence elementary photochemical events, with simulations showing how entangled two-photon excitation affects azobenzene trans -> cis isomerization. Photon entanglement modulates nuclear wave packets, influencing the reaction transition state and product yield. The distribution of vibronic coherences during conical intersection passage strongly depends on the initial wave packet shape upon quantum light excitation, with X-ray signals simulated for experimental monitoring.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Review
Chemistry, Applied
Dinghua Zhou, Ke Fan
Summary: This review discusses recent advances in studies on hematite photoanodes for water splitting, and summarizes strategies for improving hematite PEC performance by enhancing photon absorption efficiency, semiconductor bulk separation efficiency, and surface injection efficiency.
CHINESE JOURNAL OF CATALYSIS
(2021)
Article
Optics
Michael G. Raymer, Tiemo Landes, Markus Allgaier, Sofiane Merkouche, Brian J. Smith, Andrew H. Marcus
Summary: Through theoretical proof, it has been found that the quantum enhancement of two-photon absorption is tightly bounded by the physics of photonic entanglement and nonlinear response.
Article
Chemistry, Physical
Aamir Mushtaq, Mohamed Yaseen Noor, Ryan Siebenaller, Emma DeAngelis, Adam Fisher, Liam Clink, Justin Twardowski, Gulsum Kilic Salman, Roberto C. Myers, Emmanuel Rowe, Benjamin S. Conner, Michael A. Susner, Enam Chowdhury
Summary: Research on two-dimensional layered materials (2DLMs) has grown rapidly in recent years due to their applications in photonics and optoelectronics. The unique 2D nature of these materials allows for localized electronic probing and flexible integration with other components. In this study, we used the femtosecond Z-scan technique to investigate the two photon absorption (TPA) process in the van der Waals gapped silver scandium thiophosphate (AgScP2S6) crystal. We observed a significantly higher TPA coefficient compared to traditional semiconductors and nonlinear crystals, indicating the potential usefulness of this material in optical limiters and switches.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
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, 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
Chemistry, Multidisciplinary
Ling Zhang, Mahbod Morshedi, Mahesh S. Kodikara, Mark G. Humphrey
Summary: This article reports the synthesis of the first 2,5,8-s-heptazine-cored organometallic complexes and their exceptional photon absorption performance in the near-infrared III and new 2080-2340 nm region. The use of organometalation approach leads to significant improvement in photo-stability and absorption properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Shaoyao Tian, Zhihao Sun, Han Ding, Zihao Guo, Peng Wang, Yu Qiu, Benli Du, Jingyu Bi, Guangshen Li, Lei Qian
Summary: This study investigates the correlation between coordination environments/configurations and microwave absorption (MA) performance using S-doped composites. The results show that S-doped CoP can significantly improve absorption performance, while S-doped Co2P is less effective in improving MA performance due to the hindered conductive loss.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Xuefu Hu, Zhiye Wang, Yuming Su, Peican Chen, Yibin Jiang, Cankun Zhang, Cheng Wang
Summary: This study demonstrates that incorporating chromophores into metal-organic layers can enhance two-photon absorption effects and reduce light scattering, leading to improved nonlinear optical performance.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Jian Lu, Juan Gao, Shuaihua Wang, Mei-Juan Xie, Bao-Yi Li, Wen-Fei Wang, Jia-Rong Mi, Fa-Kun Zheng, Guo-Cong Guo
Summary: Two zero-dimensional organic-manganese(II) halide coordination complexes, 1-Cl and 2-Br, were synthesized to improve X-ray scintillation. The introduction of a polarized phosphine oxide increased the stabilities, particularly the self-absorption-free merits, of these Mn-based hybrids. The X-ray dosage rate detection limits for 1-Cl and 2-Br reached 3.90 and 0.81 mu Gyair/s, respectively, surpassing the medical diagnostic standard of 5.50 mu Gyair/s. The fabricated scintillation films demonstrated high spatial resolutions of 8.0 and 10.0 lp/mm, respectively, making them promising for use in diagnostic X-ray medical imaging.
Article
Chemistry, Multidisciplinary
Brandon J. Furey, Benjamin J. Stacy, Tushti Shah, Rodrigo M. Barba-Barba, Ramon Carriles, Alan Bernal, Bernardo S. Mendoza, Brian A. Korgel, Michael C. Downer
Summary: Colloidal nanocrystalline silicon quantum dots (nc-SiQDs) excited by two-photon in the near-infrared (NIR) range have potential applications in deep biological imaging. The two-photon absorption (2PA) cross section of colloidal nc-SiQDs is measured, and it is found to be smaller for smaller diameter nanocrystals. The efficiencies of nc-SiQDs for bioimaging using two-photon excited photoluminescence (2PE-PL) are compared to other quantum dots and molecular fluorophores and found to be comparable or superior at greater depths.
Article
Chemistry, Multidisciplinary
Krishnendu Das, Haridas Kar, Rui Chen, Ilaria Fortunati, Camilla Ferrante, Paolo Scrimin, Luca Gabrielli, Leonard J. Prins
Summary: This article describes a self-assembly of surfactant-based structures that rely on a combination of a thermodynamically controlled and a dissipative pathway for their formation. Adenosine triphosphate (ATP) acts as a high-affinity template and triggers the formation of assemblies at low surfactant concentrations. The presence of these assemblies allows for the activation of a dissipative self-assembly process by a weak-affinity substrate. The induced recruitment of additional surfactants by the substrate leads to the spontaneous formation of catalytic hotspots in the ATP-stabilized assemblies, resulting in substrate cleavage. Catalysis can be observed at a surfactant concentration where low catalytic activity is observed in the absence of ATP.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
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
Pharmacology & Pharmacy
Adriana Fantini, Luca Giulio, Andrea Delledonne, Silvia Pescina, Cristina Sissa, Sara Nicoli, Patrizia Santi, Cristina Padula
Summary: The optimization of non-invasive formulations for the delivery of high molecular weight compounds is the greatest achievement in the field of advanced drug delivery. Permeation experiments using fatty acids and bile salts as penetration enhancers showed that it is feasible to increase the mucosa permeation of high molecular weight dextrans. This study suggests that buccal administration can be used for the delivery of high molecular weight compounds.
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, 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
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
Food Science & Technology
Francesca Accardo, Barbara Prandi, Francesca Terenziani, Tullia Tedeschi, Stefano Sforza
Summary: Flavonoids in cocoa and derived products can interact with proteins, but this interaction does not affect protein bioaccessibility and digestibility during digestion. The interaction between whey proteins and catechins was evaluated in a model system and commercial milk chocolate. The solubilization, hydrolysis, and peptide profile of proteins were determined using in vitro digestion methods. The slight interaction between flavonoids and proteins did not hinder protein digestion and solubilization. The digestibility of proteins in milk chocolate was found to be complete.
FOOD RESEARCH INTERNATIONAL
(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, Multidisciplinary
Andrea Delledonne, Martina Orlandini, Francesca Terenziani, Paolo Pio Mazzeo, Alessia Bacchi, Lucia Carlucci, Angiolina Comotti, Jacopo Perego, Paolo Pelagatti
Summary: Three new microporous mixed-ligand MOFs (PUM310, PUM310Me(2), and PUM310CO) were synthesized through solvothermal reactions between bis-pyridine-bis-amide ligands and 2,6-naphthalenedicarboxylic acid. The structural characterization revealed polycatenated frameworks with truncated Zn-paddle wheels, and solvent removal resulted in framework rearrangement and shrinkage. The MOFs exhibited fluorescence in the solid state, and the optical spectra indicated efficient Forster resonance energy transfer (FRET) between the ndca(2-) donor and bis-pyridine acceptors, particularly in PUM310CO.
Article
Chemistry, Physical
Nerea Gonzalez-Pato, Davide Blasi, Domna M. Nikolaidou, Francesco Bertocchi, Jesus Cerda, Francesca Terenziani, Nora Ventosa, Juan Arago, Andrea Lapini, Jaume Veciana, Imma Ratera
Summary: This article reports the preparation and characterization of organic nanoparticles doped with polychlorinated trityl radicals as nanothermometers for temperature sensing. The nanoparticles show excellent thermal sensitivity and have the potential to be used as nanothermometers in bio applications.
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)
