Article
Materials Science, Multidisciplinary
Matias J. Alonso-Navarro, Alexandra Harbuzaru, Raul Gonzalez-Nunez, M. Mar Ramos, Jose L. Segura, Rocio Ponce Ortiz
Summary: In order to obtain novel functional semiconducting materials for use in organic electronics, combining strong donor moieties with electron-withdrawing units is a useful strategy. However, a precise design of new functional materials is still challenging. Therefore, in this work, we present a new synthetic approach for achieving redox amphoteric organic semiconductors by tuning their opto-electrochemical properties via rational chemical modifications.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Pawel Nitschke, Bozena Jarzabek, Andra-Elena Bejan, Mariana-Dana Damaceanu
Summary: This study focuses on the effect of trifluoroacetic acid protonation on polyazomethines in the presence and elongation of alkoxy side chains, as well as the influence of environmental dielectric constants on the doping process. The presence of alkoxy side chains is necessary for protonation, with shorter methoxy side chains reacting faster than longer octyloxy side chains, especially in low-polar media. Acid doping results in a distinct bathochromic shift of absorption band, while electrochemical studies indicate better p-type behavior post-protonation in acetonitrile.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Multidisciplinary
Shailesh S. Birajdar, Samya Naqvi, Kerba S. More, Avinash L. Puyad, Rachana Kumar, Sidhanath V. Bhosale, Sheshanath V. Bhosale
Summary: A series of naphthalenediimide derivatives with varying numbers of 2-ethyl-hexylamine chains were synthesized and their photophysical, electrochemical properties, and film morphology changes were investigated. The electron mobility of these derivatives after thermal treatment showed a significant dependence on the number of 2-ethyl-hexylamine chains and thin-film morphology alterations.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Witold Waliszewski, Zachary S. Parr, Agnieszka Michalska, Roman Halaksa, Hanna Zajaczkowska, Piotr Sleczkowski, Marios Neophytou, Beata Luszczynska, Paul W. M. Blom, Christian B. Nielsen, Tomasz Marszalek, Wojciech Pisula
Summary: In this study, the impact of end group polarity on the thin film morphology, crystallinity and charge carrier transport of PTTPs was investigated. The results showed that increasing the substrate temperature improves the effective charge carrier mobility by promoting higher film crystallinity and larger grains. The polarity of the end groups also influences the effective mobility, with higher polar groups leading to lower mobility. Additionally, the reliability factor differs for different end groups. The insights gained from this study are important for the implementation of PTTP derivatives in various organic electronic devices.
ORGANIC ELECTRONICS
(2022)
Article
Engineering, Chemical
Mario C. Vebber, Benjamin King, Callum French, Mathieu Tousignant, Bahar Ronnasi, Chloe Dindault, Guillaume Wantz, Lionel Hirsch, Jaclyn Brusso, Benoit H. Lessard
Summary: Silicon phthalocyanines (R-2-SiPcs) are tunable materials for organic electronic applications with promising properties. In this study, we synthesized fluorinated SiPcs and investigated the effect of fluorination on optical and electronic properties. The degree of fluorination impacted the electron affinity and frontier orbital levels of the compounds. The fluorinated SiPcs were successfully used in organic photovoltaics, photodetectors, and organic thin-film transistors (OTFTs) with different conduction behaviors.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Yang Liu, Bin Zhao, Jingyu Liu, Zhongli Wang, Ziqi Liang, Weijia Dong, Chenhui Xu, Bin Wang, Zhuping Fei, Yang Han
Summary: This study investigated the doping effect of various Lewis acid dopants on the conjugated polymer IDT-BT, and found that the oxonium-based dopant had the best air-stability, forming a stable Lewis acid-base adduct. By adjusting the quantity of the dopant, the performance of the (C6H15O)+BF4--doped IDT-BT thin-film transistors was optimized, with improved mobility, reduced threshold voltage, higher on/off ratio, and excellent air-stability due to the additional carriers produced by the stable Lewis acid-base adduct. Notably, the (C6H15O)+BF4--doped device exhibited almost no loss of performance when processed in air. This study demonstrates that increasing the acidity of the dopant can enhance the performance and air stability of Lewis acid-doped polymer and transistor devices.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Tran Thi Thu Huong, Nguyen Thu Loan, Le Van Long, Tran Dinh Phong, Thuy Ung Thi Dieu, Nguyen Quang Liem
Summary: This article presents the high yield solvothermal syntheses of AgInS2 (AIS) core nanocrystals (NCs) and AIS/ZnS core/shell NCs that emit stably strong luminescence peaking around 665 nm. Increasing the thickness of the ZnS shell enhances the stability and luminescence of AIS/ZnS core/shell NCs. Time-resolved PL spectra show a longer emission delay in AIS/ZnS core/shell NCs.
Article
Chemistry, Physical
Vishal Kotha, Imran Karajagi, Prakash C. Ghosh, Leela S. Panchakarla
Summary: In this study, we developed a low-temperature hydrothermal strategy to produce a perovskite oxide-based catalyst with excellent oxygen reduction and oxygen evolution reaction performance in alkaline environment. Furthermore, this catalyst exhibited unprecedented stability in zinc-air batteries.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Irene E. Park, Samantha Brixi, Mark Martell, Michael U. Ocheje, Richard D. Pettipas, Dylan H. Harris, Benjamin S. Gelfand, Simon Rondeau-Gagne, Benoit H. Lessard, Gregory C. Welch
Summary: The synthesis and characterization of a novel 6,11-bis-cyano N-H functionalized perylene diimide is reported, demonstrating the development of solution-processed, air-stable organic field-effect transistors using this material.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
Hyuna Lee, Jun Hyuk Park, Ki Joon Yang, Soon Jae Hwang, Ramanaskanda Braveenth, Tae Hoon Ha, Min Han, Chil Won Lee, Jang Hyuk Kwon
Summary: Two novel CN-substituted OTP core based bipolar type host materials were designed and synthesized for blue TADF devices, showing impressive photophysical properties and charge carrier transporting abilities. When combined with a stable blue TADF dopant, the host materials led to enhanced device efficiencies, showcasing excellent current and external quantum efficiencies.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Engineering, Electrical & Electronic
Roger Bujaldon, Anna Vilche, Joaquim Puigdollers, Cristina Puigjaner, Xavier Alcobe, Dolores Velasco
Summary: This study presents the synthesis of five diindolo[3,2-b:2 ',3 '-h]carbazole derivatives and their application in organic thin-film transistors. The single-crystal structures of these compounds were elucidated by powder X-ray diffraction analysis, providing insight into the intermolecular arrangement. By fine-tuning the length of alkyl chains and the type of passivation layer, a range of mobility values from 10(-6) to 10(-3) cm(2) V-1 s(-1) was achieved. Remarkably, these devices exhibited excellent temporal and air stability with a shelf lifetime of up to several years, confirming the potential of this research.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Jinpeng Li, Junhao Jiang, Qilin Cheng, Zhongkai Cui, Xiaoyun Liu, Peiyuan Zuo, Qixin Zhuang
Summary: Poly(p-phenylene benzobisoxazole) (PBO) with excellent thermal stability was synthesized by the precursor method and prepared via solution casting, and one-dimensional Al2O3@NaNbO3 was introduced to improve the dielectric properties and breakdown strength. The nanocomposite with 3 vol% Al2O3@NaNbO3 showed the highest breakdown strength, increased energy density, and excellent thermal stability.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Engineering, Electrical & Electronic
Yulong Cui, Xinyu Ye, Jing Shi, Wei Huang, Zhiyue Zhou, Meng Wang, Zilun Chen, Zefeng Wang
Summary: This study investigates the stable and efficient coupling of a high-power continuous-wave fiber laser with anti-resonant hollow-core fibers spliced with end caps. By optimizing the splicing process, a maximum laser power of 460 W was injected and 356.5 W was outputted under uncooled conditions, realizing a total transmission efficiency of approximately 77.5%. The study opens new opportunities for stable and highly efficient coupling of high-power lasers with hollow-core fibers, which is significant for their applications in various fields.
IEEE PHOTONICS JOURNAL
(2022)
Article
Physics, Multidisciplinary
Jun-Gu Park, Jun-Woo Park, Kang-Jun Baeg
Summary: Air-stable ambipolar organic field-effect transistors (OFETs) with superior charge transport characteristics and high stability were fabricated from pi-conjugated polymer and elastomer composites. Directional printing techniques were used to control semiconductor film morphology, enabling the fabrication of high-performance and air-stable complementary-like electronic circuits.
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
(2021)
Article
Geosciences, Multidisciplinary
Aymeric P. M. Servettaz, Anais J. Orsi, Mark A. J. Curran, Andrew D. Moy, Amaelle Landais, Joseph R. McConnell, Trevor J. Popp, Emmanuel Le Meur, Xavier Fain, Jerome Chappellaz
Summary: The temperature of the Earth is a crucial climate parameter. Proxy records of past climate changes, particularly temperature, are important tools for studying internal climate processes and natural climate forcings. This study presents temperature reconstructions for the past 2000 years using two independent methods and highlights the importance of using multiple sources for comprehensive paleoclimate reconstructions.
CLIMATE OF THE PAST
(2023)
Article
Electrochemistry
Bianca Elena Stoica, Ana-Mihaela Gavrila, Andrei Sarbu, Horia Iovu, Hugues Brisset, Andreea Miron, Tanta-Verona Iordache
Summary: This pioneering study describes the fabrication of screen-printed carbon electrodes modified with polymers molecularly imprinted with lipopolysaccharide to detect endotoxins derived from specific Gram-negative bacteria. The biosensors detected lipopolysaccharides derived from Pseudomonas Aeruginosa with high specificity, while the response to the same endotoxin derived from Escherichia coli was quite different compared to control sensors.
ELECTROCHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Claudia Caddeo, Alessio Filippetti, Andrea Bosin, Christine Videlot-Ackermann, Jorg Ackermann, Alessandro Mattoni
Summary: The study investigates the miscibility of three different polymers with a fullerene acceptor in ternary organic photovoltaics through atomistic simulations. Results show that, under specific conditions of fullerene weight ratios and dense blends, the sensitizer is likely located in the host polymer phase for optimal solar cell performance. This work demonstrates the potential for selecting specific morphologies in ternary organic blends based on weight ratios and density.
Article
Chemistry, Multidisciplinary
Yatzil Alejandra Avalos-Quiroz, Olivier Bardagot, Yann Kervella, Cyril Aumaitre, Lydia Cabau, Agnes Rivaton, Olivier Margeat, Christine Videlot-Ackermann, Uyxing Vongsaysy, Jorg Ackermann, Renaud Demadrille
Summary: Four non-fullerene acceptors (NFAs) with extended electron-donating cores and varying solubilizing groups and fluorine atoms were synthesized. The solubilizing groups had minimal impact on optoelectronic properties but influenced organization in the solid state, while the presence of fluorine atoms enhanced optoelectronics properties and increased photo-stability in thin films. Compared to a reference material, the NFAs showed improved absorption across the visible range and higher energy levels. With PM6 as the donating polymer, the NFAs achieved high power conversion efficiencies in solar cells without the need for thermal post-treatment or halogenated additives, making them suitable for industrial applications.
Review
Chemistry, Multidisciplinary
Elora Vedie, Hugues Brisset, Jean-Francois Briand, Christine Bressy
Summary: Marine biofouling is the accumulation of biological matter on submerged surfaces, posing economic burdens on navy, commercial ships, and civil structures. Various parameters such as mechanical properties, wettability, and surface topography impact the settlement, attachment, and growth of marine organisms. Techniques for creating bioinspired textures show promise in combating marine biofouling.
ADVANCED MATERIALS INTERFACES
(2021)
Article
Chemistry, Organic
Bruno Salgues, Rudraditya Sarkar, Muhammad Luthfi Fajri, Yatzil Alejandra Avalos-Quiroz, Anne-Doriane Manick, Michel Giorgi, Nicolas Vanthuyne, Yannick Carissan, Christine Videlot-Ackermann, Jorg Ackermann, Gabriel Canard, Jean-Luc Parrain, Boris Le Guennic, Denis Jacquemin, Muriel Amatore, Laurent Commeiras, Elena Zaborova, Frederic Fages
Summary: The novel di(benz[f]indenone)-fused tetraazaanthracene derivative synthesized in this study showed strong electron-accepting character, making it attractive for the generation of n-channel semiconducting materials. It exhibited electron transport in organic field effect transistors and demonstrated potential as an electron acceptor material in organic solar cells.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Alexander J. Gillett, Claire Tonnele, Giacomo Londi, Gaetano Ricci, Manon Catherin, Darcy M. L. Unson, David Casanova, Frederic Castet, Yoann Olivier, Weimin M. Chen, Elena Zaborova, Emrys W. Evans, Bluebell H. Drummond, Patrick J. Conaghan, Lin-Song Cui, Neil C. Greenham, Yuttapoom Puttisong, Frederic Fages, David Beljonne, Richard H. Friend
Summary: The study shows that access to inter-CT states in BF2, even at low doping concentrations of 4 wt%, resolves the conflicting requirements of fast radiative emission and low Delta E-ST in organic DF emitters.
NATURE COMMUNICATIONS
(2021)
Article
Nanoscience & Nanotechnology
Yatzil Alejandra Avalos Quiroz, Tomoyuki Koganezawa, Pavlo Perkhun, Elena Barulina, Carmen M. Ruiz, Jorg Ackermann, Noriyuki Yoshimoto, Christine Videlot-Ackermann
Summary: The continuous enhancement in power conversion efficiency of organic solar cells is attributable to the emergence of novel nonfullerene acceptors, highlighting the significance of understanding electron transport properties for improving performance.
ADVANCED ELECTRONIC MATERIALS
(2022)
Article
Engineering, Mechanical
Lucas Grilli, Fabrice Casset, Christine Bressy, Hugues Brisset, Jean-Francois Briand, Raphaelle Barry-Martinet, Mikael Colin
Summary: This paper presents the development and experimentation of transparent vibrating piezoelectric micromembranes for protecting immersed measurement instruments from marine biofouling. Laboratory bioassays showed great potential against bacterial adhesion, while in situ tests confirmed their antifouling effect. However, in situ experimentations revealed issues with the piezo driver actuating the vibrating membranes, indicating a need for further improvements.
Review
Chemistry, Analytical
Alexandre Sala, Hugues Brisset, Andre Margaillan, Jean-Ulrich Mullot, Catherine Branger
Summary: This article provides an overview of the current state of research on electrochemical sensors based on ion-imprinted polymers (IIPECS) for quantifying metal ions. The potential of IIPECS in quantifying metal ions with high sensitivity and selectivity is demonstrated through numerous application examples.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Applied
Claire Tonnele, Manon Catherin, Michel Giorgi, Gabriel Canard, David Casanova, Frederic Castet, Elena Zaborova, Frederic Fages
Summary: This study describes the synthesis and spectroscopic study of a bichromophoric molecule, DA-meso. It was found that the molecule could self-assemble in solution and exhibit significant changes in its optical properties. Experimental and theoretical analysis showed that DA-meso formed a dimer composed of four BF2-curcuminoid units. The spectral features of the DA-meso dimer were rationalized by considering the formation of a non-fluorescent J-aggregate.
Article
Biochemistry & Molecular Biology
Elora Vedie, Raphaelle Barry-Martinet, Vincent Senez, Mattias Berglin, Patrik Stenlund, Hugues Brisset, Christine Bressy, Jean-Francois Briand
Summary: This article examines the influence of surface characteristics and seawater parameters on the settlement of marine micro- and macroorganisms. It is found that mechanical properties and non-evolutive wettability do not have a major impact on biofouling abundance and diversity, while evolutive wetting properties can strongly reduce macrofouler colonization.
MACROMOLECULAR BIOSCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Kyu-Ri Choi, Dae Hyeon Kim, Yeon Ui Lee, Virginie Placide, Steven Huynh, Dandan Yao, Gabriel Canard, Elena Zaborova, Fabrice Mathevet, Loic Mager, Benoit Heinrich, Jean-Charles Ribierre, Jeong Weon Wu, Frederic Fages, Anthony D'Aleo
Summary: This study investigates the ENZ properties of organic films such as cyanine and squaraine, and their correlation with polymethine family members. By designing Curc derivatives, it is demonstrated that an increase in polymethine character and donor strength leads to the appearance or enhancement of ENZ properties in the visible spectrum range from 500 to 670 nm.
Article
Materials Science, Multidisciplinary
Thomas Leoni, Laurent Nony, Elena Zaborova, Sylvain Clair, Frederic Fages, Franck Para, Alain Ranguis, Conrad Becker, Christian Loppacher
Summary: The study reveals that the adsorption of molecules on different substrates is similar, with the on-surface condensation of molecules into supramolecular assemblies being mainly influenced by molecule-substrate and intra-molecular interactions. Density functional theory calculations suggest an epitaxial molecular structure on the KCl surface. Optical spectroscopy and differential reflectance spectroscopy measurements show changes in molecular absorption properties in the condensed phase.
Article
Green & Sustainable Science & Technology
Pavlo Perkhun, Wolfgang Koentges, Florent Pourcin, Daniel Esteoulle, Elena Barulina, Noriyuki Yoshimoto, Pascal Pierron, Olivier Margeat, Christine Videlot-Ackermann, Anil Kumar Bharwal, David Duche, Carmen Ruiz Herrero, Cedric Gonzales, Antonio Guerrero, Juan Bisquert, Rasmus R. Schroeder, Martin Pfannmoeller, Sadok Ben Dkhil, Jean-Jacques Simon, Jorg Ackermann
Summary: The study demonstrates that using ITIC derivatives and non-halogenated solvents as non-fullerene acceptors for inkjet printing of polymer solar cells is crucial for forming stable inks in o-xylene. The use of tetralin as a co-solvent improves ink performance and drying behavior of the blend layer, resulting in blends with homogeneous micro- and nanoscale morphology. The resulting solar cells have a maximum efficiency of 10.1% and show significant changes in the nanoscale and microscale morphology, making them promising for industrial applications.
ADVANCED ENERGY AND SUSTAINABILITY RESEARCH
(2021)
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)