Article
Chemistry, Organic
Guanghui Ouyang, David Bialas, Frank Wuerthner
Summary: A new type of PBI cyclophane with an azobenzene bridge was synthesized, allowing for regulation of fluorescence lifetime and quantum yield of PBI units. Controlled fluorescence modulation and reversible intensity switching were achieved through interactions between PBI chromophores.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Multidisciplinary
Duo Wei, Yaozheng Yu, Lingling Ge, Zhifeng Wang, Chong Chen, Rong Guo
Summary: This study utilizes synthesized oligopeptide-perylene diimides (AUPDIs) to generate beta-sheet strands, forming a diversity of morphologies in supramolecular polymers in aqueous media. Complex morphology transitions can be controlled by adjusting the water volume fraction, leading to efficient electronic sensing capabilities.
Article
Chemistry, Multidisciplinary
Kevin Bold, Matthias Stolte, Kazutaka Shoyama, Marco Holzapfel, Alexander Schmiedel, Christoph Lambert, Frank Wuerthner
Summary: Two macrocyclic architectures comprising oligothiophene strands that connect the imide positions of a perylene biscimide (PBI) dye have been synthesized via a platinum-mediated cross-coupling strategy. The crystal structure of the double bridged PBI reveals all syn-arranged thiophene units enclosed a planar PBI chromophore via a 12-membered macrocycle. The target structures exhibit ultrafast Forster Resonance Energy Transfer and photoinduced electron transfer, resulting in extremely low fluorescence quantum yields even in the lowest polarity cyclohexane solvent.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Tim Voelzer, Alina Schubert, Erik von der Oelsnitz, Julian Schroeer, Ingo Barke, Rico Schwartz, Kenji Watanabe, Takashi Taniguchi, Sylvia Speller, Tobias Korn, Stefan Lochbrunner
Summary: This study investigates the charge or energy transfer-related quenching of perylene orange (PO) dye fluorescence when brought onto monolayer TMDCs via thermal vapor deposition. The results show a significant intensity drop in PO fluorescence and a relative growth of trion versus exciton contribution in TMDC emission. Fluorescence imaging lifetime microscopy confirms the intensity quenching to be around 10^3-fold and a drastic reduction in lifetime. Analysis suggests a time constant of several picoseconds at most, indicating efficient charge separation suitable for optoelectronic devices.
NANOSCALE ADVANCES
(2023)
Article
Nanoscience & Nanotechnology
Arindam Mukhopadhyay, Kaixuan Liu, Victor Paulino, Carrie L. Donley, Jean-Hubert Olivier
Summary: Functionalization of silicon electrode surfaces with monolayers derived from perylene bisimide (PBI) nanoaggregates can achieve a reversible stabilization effect through redox control. The magnitude of this effect is dictated by the structure-function relationships of the PBI nanoaggregates used to construct the monolayers on Si electrodes.
ACS APPLIED NANO MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Markus Hecht, Frank Wurthner
Summary: The discovery of the self-assembly of cyanine dyes into J-aggregates had a significant impact on dye chemistry, leading to the emergence of new useful properties. Despite a good theoretical understanding of their structure-property relationships, examples of J-aggregates remained scarce due to the lack of supramolecular designs to guide their formation. The use of nature's supramolecular blueprint in the development of J-aggregates of perylene bisimides (PBIs) has shown promise in various applications, such as high-performance color pigments and organic semiconductors.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Jie Liu, Si-Yu Gao, Xin-Yi Zhang, Yakai Feng, Han-Chun Wu, Zhijian Chen, Maxim Bermeshev, Xiang-Kui Ren
Summary: In this study, a POSS-containing polynorbornene was synthesized and its supramolecular structure and photoluminescence properties were investigated. The experimental results demonstrated that the introduction of POSS cages led to a unique structure and enhanced photoluminescence properties. These findings are of great significance for understanding the structure-property relationship of optical polymers and designing polymer materials with controllable supramolecular structure and tunable luminescence properties.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Multidisciplinary Sciences
Ningning Tang, Jiadong Zhou, Liangxuan Wang, Matthias Stolte, Guojing Xie, Xinbo Wen, Linlin Liu, Frank Wuethner, Johannes Gierschner, Zengqi Xie
Summary: Nano-sized PBI dyes achieve deep-red emission and avoid common quenching pathways by tuning the dihedral angle between the aromatic and alkoxy groups.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Analytical
Gohar Soufi, Habib Bagheri, Mohammadjavad Karimi, Majid Karimi, Sirous Jamali
Summary: This paper discloses the design and synthesis of a polymer polyhedral oligomeric silsesquioxane (POSS) substituted perylene diimide and fully characterizes it using various techniques. The compound exhibits an unusual cubic morphology and effectively prevents the quenching of perylene's fluorescence by introducing bulky POSS units. Further experiments demonstrate that the sensor prepared on quartz can selectively and reversibly detect two important biomarkers for lung cancer.
ANALYTICA CHIMICA ACTA
(2023)
Article
Chemistry, Physical
Jeanne Heintz, Francesca Legittimo, Sebastien Bidault
Summary: This article proposes using the high local curvatures at the tips of plasmonic nanocubes to achieve strong coupling at visible frequencies. It highlights a trade-off between coupling strength and emission yield in gold nanocube dimers, while silver nanocube dimers exhibit similar coupling strength but higher emission yield, providing design rules for efficient strongly coupled hybrid nanostructures at room temperature.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Asia R. Y. Almuhana, Philipp Langer, Sarah L. Griffin, Rhys W. Lodge, Graham A. Rance, Neil R. Champness
Summary: The synthesis of nanodiamond-perylene diimide composites involves reacting hydroxyl-functionalised perylene diimides with carboxylic acid functionalised nanodiamonds through ester formation. The nanocomposite materials retain the core of nanodiamonds and interesting dye properties of perylene diimides, as confirmed by various techniques including fluorescence measurements. This approach provides a simple mechanism for maintaining the solution-phase properties of perylene diimides in solid-state materials.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Xinyu Gou, Zhaolong Wang, Qiyuan Shi, Ke Liu, Qingwei Jiang, Simin Lin, Rong Miao, Yu Fang
Summary: Elaborately designed pi-stacked molecular aggregates can modulate the photophysical properties of polycyclic aromatic hydrocarbons (PAHs). In this study, a double hydrogen-bond trussed di(pyridyl)pyrrole-perylene bisimide (HDPP-PBI) was designed and its dimerization behavior was studied. It was found that HDPP-PBI tends to form a quadruple PBI stack through synergistic intramolecular double hydrogen-bond formation and intermolecular pi-pi stacking. The dimerization can be promoted by the addition of CF3COOH and can be reversed to monomer by removing CF3COOH. The dimerized and monomeric HDPP-PBI were used to prepare fluorescent films with different properties. The less-emissive PBI quadruple stack-based film exhibited a turn on response to acetone vapor, while the highly emissive HDPP-PBI-based film showed fluorescence quenching upon exposure to triethylamine vapor. It is believed that the discovered synergistic effect in PBI aggregates could inspire the design of new PAH aggregates with defined structures.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Qingwei Jiang, Zhaolong Wang, Gang Wang, Ke Liu, Wenjun Xu, Congdi Shang, Xinyu Gou, Taihong Liu, Yu Fang
Summary: A new PBI derivative was synthesized to develop a fluorescent film sensor for evaluating fish freshness, showing rapid response, high sensitivity, and good reusability. The sensor accurately predicts fish freshness, demonstrating great potential for real-life applications.
CHINESE JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
David T. Hogan, Todd C. Sutherland
Summary: This case study presents evidence of the existence of multiple aggregation forms of a single organic dye in the solid state, resulting from its packing polymorphs. Each aggregate can be matched to a specific polymorph through spectroscopy, allowing for nanoscopic structural information even without conventional H- or J-type aggregation spectral features. The conversion from one polymorphic aggregate to another supports Ostwald's rule of stages in organic aggregates suspended in solution. Mechanistically, the dye molecules dissociate from one aggregate and reassemble into a more stable aggregate form, providing the first demonstration of aggregation-induced emission in an organic dye.
Article
Spectroscopy
Prajna Moharana, G. Santosh
Summary: The self-assembly behavior of a newly synthesized amphiphilic thioester attached with carboxylic acid functionalized perylene diimide derivative was investigated in different solvents. Hemispherical aggregates were formed in THF solution and selectively bound to Fe3+ and Ba2+ ions. The binding of two equivalents of Fe3+ ions to the hemispherical aggregates resulted in supramolecular polymerization. Ba2+ ions quenched the fluorescence intensity of the aggregates, indicating the heavy atom effect.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Multidisciplinary Sciences
Manuel Weh, Kazutaka Shoyama, Frank Wuerthner
Summary: The discrimination of enantiomers by natural receptors is a well-established phenomenon, but the number of synthetic receptors with enantioselective molecular recognition capability is limited. In this study, a cyclophane composed of homochiral perylene bisimide (PBI) units was shown to preferentially bind [5]helicene of opposite helicity compared to the PBI units of the host. The enantio-differentiation of this molecular receptor for heterochiral guests can be utilized for the enrichment of specific bimolecular complex. The design of synthetic supramolecular receptors capable of enantioselective molecular recognition is challenging, and this study presents a novel approach using perylene bisimide-based receptors.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Felix Brust, Oliver Nagler, Kazutaka Shoyama, Matthias Stolte, Frank Wuerthner
Summary: Light-weight di-tert-butylsilyl groups are introduced to bridge 1,12-dihydroxy and 1,6,7,12-tetrahydroxy PBIs, resulting in sublimable dyes for vacuum-processed optoelectronic devices. The substituted PBIs exhibit twisted and shielded structures with well-resolved absorption and emission spectra, and demonstrate strong fluorescence in both solution and solid states. These dyes are proven to be useful in organic light-emitting diodes (OLEDs) with monomer-like emission spectra and high maximum external quantum efficiency (EQE(max)) values.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Energy & Fuels
Kaan Menekse, Magnus Mahl, Julius Albert, M. A. Niyas, Kazutaka Shoyama, Matthias Stolte, Frank Wuerthner
Summary: A series of new imide-functionalized C-64 nanographenes are studied as acceptor components in organic solar cells (OSCs) with donor polymer PM6. These electron-poor molecules can exist as monomers or self-assemble into dimers in the OSC active layer depending on the chosen imide substituents. This allows for the controlled stacking of electron-poor and electron-rich pi-scaffolds to create a novel class of non-fullerene acceptor materials and tailor the bulk-heterojunction morphology of the OSCs. The best performance is achieved by derivatives that can self-assemble into dimers, with power conversion efficiencies reaching up to 7.1%.
Article
Chemistry, Multidisciplinary
M. A. Niyas, Kazutaka Shoyama, Frank Wuerthner
Summary: A supramolecular host-guest strategy using C-64 nanographene tetraimide (1) was employed to dissolve phthalocyanines into solution. The host molecule binds two free base/zinc/copper phthalocyanines in a 1:2 stoichiometry, leading to their solubilization. This strategy provides a potential solution for the limitations of phthalocyanine solubility, enabling their applications in dye, pigment, photovoltaic, and photodynamic therapy research.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Manuel Weh, Asja A. Kroeger, Kazutaka Shoyama, Matthias Gruene, Amir Karton, Frank Wuerthner
Summary: Enzymes catalyze reactions through transition state stabilization and ground state destabilization, achieving enantioselectivity with chiral binding sites. This study presents a supramolecular model system that uses these principles to catalyze the enantiomerization of [5]helicene. The catalysis is mediated by p-p catalysis from a curved aromatic framework of a chiral perylene bisimide (PBI) cyclophane, which offers a binding pocket complementary to the enantiomerization transition structure. The catalytic effect is lost when the configurational inversion occurs in one PBI moiety, emphasizing the importance of precise recognition of transition structure in supramolecular enzyme mimics.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Yvonne Vonhausen, Frank Wuerthner
Summary: Mathematical models are derived to analyze self-assembly equilibria based on concentration, temperature, and solvent dependencies. The models were applied to UV/Vis absorption data for dimerization of a dipolar dye in 1,4-dioxane. Isothermal titration calorimetry dilution experiments were conducted as a reference. Concentration-dependent analysis was found to be the most reliable method, while temperature-dependent evaluation can also provide accurate results. However, solvent-dependent evaluation was affected by the solvatochromism of the dye.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Daniel Fersch, Pavel Maly, Jessica Ruhe, Victor Lisinetskii, Matthias Hensen, Frank Wurthner, Tobias Brixner
Summary: We introduce fluorescence-detected pump-probe microscopy, which combines a wavelength-tunable ultrafast laser with a confocal scanning fluorescence microscope, allowing access to femtosecond timescales on a micrometer spatial scale. We demonstrate this approach on a model system of a terrylene bisimide dye embedded in a PMMA matrix, obtaining both the linear excitation spectrum and time-dependent pump-probe spectra simultaneously. By analyzing the statistical distribution of excitation spectra from single molecules, we investigate the effect of the molecular environment on excited-state energy.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Lara Kleine-Kleffmann, Vladimir Stepanenko, Kazutaka Shoyama, Marius Wehner, Frank Wuerthner
Summary: Molecular chaperones are proteins that help in the folding and assembly of other structures. In this study, a chaperone-like two-component system was used to control supramolecular polymerization. A new kinetic trapping method was developed to retard self-assembly, which could be regulated with a cofactor. The system was characterized using various techniques and demonstrated the possibility for effective control over supramolecular polymerization processes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Bernhard Mahlmeister, Tim Schembri, Vladimir Stepanenko, Kazutaka Shoyama, Matthias Stolte, Frank Wuerthner
Summary: Chiralpolycyclic aromatic hydrocarbons have potential as next-generation photonic materials, and their molecular and supramolecular architectures can be carefully designed to enhance their chiroptical response. In this study, a quaterrylene bisimide derivative with a conformationally stable twisted pi-backbone was developed, and its chiral arrangement was achieved by self-assembly in low polarity solvents. The resulting solid-state aggregate exhibited strong J-type excitonic coupling in the near infrared region, confirmed by atomic force microscopy and single-crystal X-ray analysis.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Maciej Gryszel, Tim Schlossarek, Frank Wuerthner, Mirco Natali, Eric Daniel Glowacki
Summary: Photocatalytic organic dyes based on water-soluble perylene diimide molecules have been developed as true molecular catalysts for converting dissolved oxygen to hydrogen peroxide under light irradiation. Factors such as variable electron donors, oxygen partial pressure, pH, and molecular catalyst structure have been explored to improve efficiency and stability. The result is a perylene diimide derivative with unprecedented peroxide evolution performance using a broad range of organic donor molecules and operating in a wide pH range.
Article
Chemistry, Organic
Emely Freytag, Lasse Kreimendahl, Marco Holzapfel, Jens Petersen, Heiko Lackinger, Matthias Stolte, Frank Wuerthner, Roland Mitric, Christoph Lambert
Summary: Five chiral squaraine dimers were synthesized by fusing chiral indolenine semisquaraines with three different benzobisthiazole bridges. The resulting dimers exhibited strong splitting of the lowest energy absorption bands due to exciton coupling. The electric circular dichroism spectra of the dimers showed intense Cotton effects whose sign depended on the used squaraine chromophores. TD-DFT calculations revealed that the electric-magnetic coupling was the dominant contribution to the rotational strength.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Jorge Labella, Kazutaka Shoyama, David Guzman, Tim Schembri, Matthias Stolte, Tomas Torres, Frank Wuerthner
Summary: Imide-fused porphyrinoid compounds with naphthalimide were synthesized as NIR-absorbing n-type organic semiconductors. Two different synthetic routes were used, including an annulation reaction between a boronic ester and dibromo-NMI, and a cyclotrimerization of NMI-fused phthalonitrile. The N-alkyl substituted derivative was utilized as a nonfullerene acceptor in organic solar cells, achieving a highest power conversion efficiency of 7.0%.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Physical
Jeswin Sunny, Ebin Sebastian, Suvarna Sujilkumar, Frank Wuerthner, Bernd Engels, Mahesh Hariharan
Summary: This study reports the unprecedented population of triplet excited states in a series of nitrogen-annulated perylene bisimide chromophores. Ultrafast intersystem crossing is found in Br-NPBI, leading to enhanced triplet population. The quantum chemical calculations reveal the important role of nitrogen annulation in tuning the excited state energy levels to favor intersystem crossing.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Jonas Spengler, Chongwei Zhu, Kazutaka Shoyama, Frank Wuerthner
Summary: This study reports the synthesis of a series of non-alternant aromatic dicarboximides through twofold Pd-catalyzed [5+2] annulation. The experimental results demonstrate the unique optoelectronic properties of these compounds.
Article
Chemistry, Multidisciplinary
Simon Soldner, Olga Anhalt, Menyhart B. Sarosi, Matthias Stolte, Frank Wuerthner
Summary: This study investigates the self-assembly and complexation of perylene bisimides (PBIs) with polycyclic aromatic hydrocarbon (PAH) guest molecules. The introduction of bulky imide substituents in PBIs guides their self-assembly into dimer aggregates with specific structures. The properties of the complexes formed between PBIs and PAH guests were studied experimentally, and their optical properties were elucidated.
CHEMICAL COMMUNICATIONS
(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)