Article
Chemistry, Physical
Mykhailo Bondar, Sanaz Faryadras, Natalia Munera, Hao-Jung Chang, Mehrun Uddin, Kevin D. Belfield, Olexiy D. Kachkovsky, Eric W. Van Stryland, David J. Hagan
Summary: The linear and nonlinear optical properties of a new squaraine derivative with efficient near-infrared emission were comprehensively analyzed using spectroscopy, photochemistry, two-photon absorption measurements, and quantum chemical analysis. The electronic structure, rotational volumes, and extinction coefficient of the compound were studied, and its superluminescence emission and photostability were also investigated. The results suggest that this squaraine derivative has potential applications in two-photon fluorescent bioimaging and lasing.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Samylla Boazegevski, Jeferson Ferreira de Deus, Denis Augusto Turchetti, Leni Campus Akcelrud, Samim Sardar, Cosimo D'Andrea, Franco V. A. Camargo, Giulio Cerullo, Giovanni Bressan, Stephen R. Meech, Ismael A. Heisler
Summary: A detailed photophysical study was conducted on a polymer based on a fluorene derivative using ultrafast nonlinear spectroscopy. The study found significant differences in the photophysical behavior of the polymer in solution and as a film, suggesting a near absence of self-collapsed chain conformations in solution. In the film, interchain interactions promote efficient energy transfer, resulting in faster excited state relaxation compared to solution. The time scales of exciton dynamics revealed in this study are useful for designing blends for optoelectronic and electro-optical devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Rebekka Weber, Kerby Chok, Stephan Junek, Clemens Glaubitz, Alexander Heckel
Summary: This study presents the synthesis and photophysical characterization of a two-photon sensitive uncaging dyad based on rhodamine 101 as donor fluorophore and a redshifted BODIPY as acceptor photocage. The liberation of p-nitroaniline (PNA) upon one-photon photolysis was confirmed by HPLC analysis. The considerable change of the fluorescence properties of the chromophores indicated the occurrence of the photoreaction. The possibility of fluorescent read-out enabled the detection of two-photon induced uncaging by confocal fluorescence microscopy.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Leandro H. Zucolotto Cocca, Andre Pelosi, Lucas F. Sciuti, Luis M. G. Abegao, Kenji Kamada, Sandrine Piguel, Cleber Renato Mendonca, Leonardo De Boni
Summary: Imidazopyridine derivatives, as unnatural purine isosteres, have attracted considerable attention due to their wide applicability in various scientific fields. They can be used as fluorescent bioprobes for DNA or RNA spectroscopic studies, and their optical properties can be enhanced by incorporating different structures in the central imidazopyridine scaffold. The research revealed high fluorescence quantum yields and two-photon absorption effects in certain imidazopyridine derivatives, indicating their potential as fluorescent probes induced by two-photon excitation.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Physics, Multidisciplinary
Zhiqiang Yang, Yichuan Chen, Jing Li, Chen Lu, Junfang Zhao, Mengtao Sun
Summary: The successful synthesis of fully fused and fully conjugated Mobius carbon nanobelts (CNBs) has generated significant interest. However, there is still a lack of theoretical calculations based on such pi-conjugated Mobius CNBs. In this study, we investigated the molecular spectroscopy of Mobius CNBs with and without n-butoxy groups using visualization methods. The results demonstrate that the presence of n-butoxy groups can have a significant impact on the optical performance of Mobius CNBs, altering electron-hole coherence and enhancing two-photon absorption cross-sections. This work provides a deeper understanding of the photophysical mechanisms of Mobius CNBs in one- and two-photon absorption and suggests potential applications in optoelectronic devices.
FRONTIERS OF PHYSICS
(2023)
Article
Spectroscopy
Qijuan Xiong, Kaipeng Zhao, Yuling Cheng, Changjun He, Yuting Lai, Mengyun Shi, Xin Ming, Feng Jin, Dongliang Tao, Rongbao Liao, Yong Liu
Summary: This article describes a luminescent material based on a triphenylamine Zn(II) complex, which exhibits good one-photon excited fluorescence (OPEF) and two-photon excited fluorescence (TPEF) properties, showing potential in fluorescence microscopy bioimaging. The results also report the Boltzmann correlation between Stokes shift and solvent polarity for the second time, and the Boltzmann correlation between FWHM and solvent polarity for the first time.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Organic
Pawel Kowalczyk, Mariusz Tasior, Shuhei Ozaki, Kenji Kamada, Daniel T. Gryko
Summary: An original approach has been developed for the insertion of formyl substituents at positions 2 and 5 of 1,4-dihydropyrrolo[3,2-b]pyrroles. The synthetic utility of these formyl groups was investigated, and a series of centrosymmetric A-pi-D-pi-A frameworks were constructed. One of the molecules with dicyanovinylidene flanking groups exhibited strong two-photon absorption and can be potentially applied in specific fields.
Article
Physics, Multidisciplinary
D. Garg, J. W. L. Lee, D. S. Tikhonov, P. Chopra, A. L. Steber, A. K. Lemmens, B. Erk, F. Allum, R. Boll, X. Cheng, S. Duesterer, S. Gruet, L. He, D. Heathcote, M. Johny, M. M. Kazemi, H. Koeckert, J. Lahl, D. Loru, S. Maclot, R. Mason, E. Mueller, T. Mullins, P. Olshin, C. Passow, J. Peschel, D. Ramm, D. Rompotis, S. Trippel, J. Wiese, F. Ziaee, S. Bari, M. Burt, J. Kuepper, A. M. Rijs, D. Rolles, S. Techert, P. Eng-Johnsson, M. Brouard, C. Vallance, B. Manschwetus, M. Schnell
Summary: This study investigates the relaxation and fragmentation dynamics of fluorene ions using extreme ultraviolet and visible photons. The results reveal that the relaxation lifetimes of fluorene range from tens of femtoseconds to a few picoseconds.
FRONTIERS IN PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Sandeep Kumar, Jitendra Nath Acharyya, Dipanjan Banerjee, Venugopal Rao Soma, G. Vijaya Prakash, Muniappan Sankar
Summary: A series of new push-pull meso-substituted trans-A(2)BC porphyrins have been synthesized and characterized using various techniques, showing excellent nonlinear optical properties suitable for optical switching applications, particularly due to the polarized push-pull effect of the nitrophenyl-substituted porphyrins.
DALTON TRANSACTIONS
(2021)
Review
Chemistry, Physical
Janah Shaya, Peter R. Corridon, Basem Al-Omari, Abdulrahman Aoudi, Abeer Shunnar, Mohamed Infas Haja Mohideen, Ahsanulhaq Qurashi, Benoit Y. Michel, Alain Burger
Summary: Two-photon fluorescence microscopy (2PFM) is a powerful alternative to traditional one-photon microscopy, using two near-infrared photons to excite fluorescent dyes and improve imaging quality in biological samples. Fluorene dyes possess excellent properties for 2PFM probes, including enhanced solubility, photostability, and two-photon absorption cross-section.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS
(2022)
Article
Physics, Applied
Yujiro Eto
Summary: The proposed method aims to improve imaging depth of two-photon excitation microscopy using correlated ultrafast intensity fluctuations within pulses. Experimental demonstration shows local control of two-photon excitation can be achieved by harnessing ultrafast intensity cross-correlation generated by high-gain parametric down-conversion. It is expected that background photons' influence can be suppressed by applying this technique to the two-photon excitation microscopy.
APPLIED PHYSICS EXPRESS
(2021)
Article
Engineering, Manufacturing
Shuai Zhang, Shanggeng Li, Xiangyu Wan, Jiajun Ma, Ning Li, Jing Li, Qiang Yin
Summary: This study synthesized a series of photo initiators for additive manufacturing and investigated their performance and the relationship between structure and property. The experimental results showed that benzophenone-based photoinitiators have higher manufacturing speed and broader applicable processing windows, potentially improving manufacturing efficiency.
ADDITIVE MANUFACTURING
(2021)
Article
Multidisciplinary Sciences
Guanqun Han, Guodong Li, Jie Huang, Chuang Han, Claudia Turro, Yujie Sun
Summary: The study presents a group of ruthenium polypyridyl complexes with two-photon absorption capabilities, active with lower-energy (740 nm) light.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Applied
Elif Akhuseyin Yildiz, Gokhan Sevinc, Sezen Tekin, Ahmet Karatay, Mustafa Hayvali, Ayhan Elmali
Summary: A novel BODIPY compound with triphenylamine moieties was designed and synthesized to enhance two photon absorption (TPA) property, showing intramolecular charge transfer characteristics and higher TPA cross section values compared to reference compounds. The compound has potential applications in photodynamic therapy and bio-imaging due to its high TPCS value and free heavy atom nature.
Article
Multidisciplinary Sciences
Guanghan Meng, Jian Zhong, Qinrong Zhang, Justin S. J. Wong, Jianglai Wu, Kevin K. Tsia, Na Ji
Summary: Understanding blood flow dynamics is crucial for studying the function of blood vessels. Current methods lack the resolution to monitor blood flow at a cellular level in large vessels. However, using a fast line-scanning module, researchers were able to achieve high-resolution imaging of blood flow in the cortex of awake mice. This breakthrough allowed them to measure cerebral blood flow and observe pulsatile blood flow patterns.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Substance Abuse
Agnieszka Agas, Arun Reddy Ravula, Xiaotang Ma, Yiming Cheng, Kevin D. Belfield, James Haorah
Summary: Hemorrhage is a significant aspect of traumatic brain injury (TBI), and alcohol consumption prior to TBI can alter iron regulation, exacerbate TBI-induced microglia activation, and sustain the expression of regulatory proteins for several days post-injury. Additionally, microglia may play a role in iron management through red blood cell clearance. This study provides valuable insights into the relationship between alcohol and TBI, as well as the importance of iron management in brain injury recovery.
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, 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, 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
Chemistry, Multidisciplinary
Yevgeniy O. Shaydyuk, Nataliia V. Bashmakova, George V. Klishevich, Andriy M. Dmytruk, Olexiy D. Kachkovsky, Iaroslav B. Kuziv, Igor Ya. Dubey, Kevin D. Belfield, Mykhailo V. Bondar
Summary: In this research, the properties of coumarin derivatives in terms of their photophysics, photochemistry, fast vibronic relaxations, and two-photon absorption were comprehensively analyzed. The results revealed their unique characteristics such as large Stokes shifts, specific solvatochromic behavior, weak electronic pi -> pi* transitions, and adherence to Kasha's rule. The study also investigated the stability and optical gain potential of the derivatives, as well as their two-photon absorption properties. Quantum-chemical calculations were performed to analyze the electronic nature of these coumarins, which showed agreement with experimental data.
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
Chemistry, Multidisciplinary
Brunella Bardi, Davide Giavazzi, Elena Ferrari, Alessandro Iagatti, Mariangela Di Donato, D. K. Andrea Phan Huu, Francesco Di Maiolo, Cristina Sissa, Matteo Masino, Andrea Lapini, Anna Painelli
Summary: The design of efficient organic electronic devices relies on optimizing relevant materials, often consisting of an active dye embedded in a matrix. This study provides an extensive investigation on how the matrix affects the properties of the dye, shedding light on this controversial topic. The results show that the spectral properties of the dye at equilibrium are not affected by the matrix, while the emission spectra depend on the matrix polarity and dynamics.
MATERIALS HORIZONS
(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)
