Article
Chemistry, Multidisciplinary
Chenying Gao, Dandan Shi, Cheng Li, Xiaobo Yu, Xisha Zhang, Zitong Liu, Guanxin Zhang, Deqing Zhang
Summary: Introducing azide groups into conjugated polymers allows the fabrication of single component semiconducting photoresists, leading to more uniform patterned semiconductor thin films. This technology enables the formation of uniform patterns as small as 5 micrometers under mild UV irradiation conditions, without affecting inter-chain packing structures.
Article
Polymer Science
Ji Hye Lee, Jinhyo Hwang, Chai Won Kim, Amit Kumar Harit, Han Young Woo, Hyung Jong Kim, Yong Woo Kim, Dae Hyuk Choi, Min Ju Cho, Dong Hoon Choi
Summary: The two hole transport materials show promising potential in improving the performance of solution-processed organic light-emitting diodes, with higher efficiency and lower turn-on voltage compared to PVK-based devices.
Article
Chemistry, Multidisciplinary
Byoungwook Park, Juhyoung Jung, Dae-Hee Lim, Hanbee Lee, Sungjun Park, Minju Kyeong, Seo-Jin Ko, Seung Hun Eom, Seung-Hoon Lee, Changjin Lee, Sung Cheol Yoon
Summary: The research shows that the fluorinated alkyl side chain of conjugated polymers has a significant impact on the performance of organic photodetectors, reducing dark current density and increasing external quantum efficiency. Fluorination of side chains leads to a more ordered molecular structure, reducing trap density and energetic disorder, which in turn enhances charge carrier mobility and detectivity.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Pablo Durand, Huiyan Zeng, Till Biskup, Vishnu Vijayakumar, Viktoriia Untilova, Celine Kiefer, Benoit Heinrich, Laurent Herrmann, Martin Brinkmann, Nicolas Leclerc
Summary: Combining side chain engineering and controlled alignment of PBTTT can produce oriented thin films with improved thermoelectric performance when doped sequentially with F(6)TCNNQ. The substitution of linear alkyl side-chains with slightly polar n-C7OC4 leads to enhanced structural order and thermo-mechanical properties. The combination of improved alignment and random orientation of intercalated F(6)TCNNQ dopants helps reach a very high charge conductivity and a record power factor in the polymer chain direction.
ADVANCED ENERGY MATERIALS
(2022)
Review
Medicine, General & Internal
Birgid Gonska, Dominik Buckert, Johannes Moerike, Dominik Scharnbeck, Johannes Kersten, Cesare Cuspidi, Wolfang Rottbauer, Marijana Tadic
Summary: Aortic stenosis (AS) is the most common degenerative valvular disease in developed countries, with traditional diagnosis focusing on high gradients and reduced aortic valve area. However, recent evidence has shown that low gradient AS patients may also have severe AS, posing diagnostic challenges and requiring consideration of multiple parameters.
JOURNAL OF CLINICAL MEDICINE
(2022)
Article
Polymer Science
Renlong Li, Chong Zhang, Cheng-Xing Cui, Yuxia Hou, Hongying Niu, Ching-Hong Tan, Xiye Yang, Fei Huang, Jia-Xing Jiang, Yuping Zhang
Summary: In this study, a rational design strategy for enhancing the hydrogen evolution rate of conjugated polymers through modifying the surface chemistry with hydrophilic adenine group was demonstrated. The introduction of adenine groups improved the interactions between the polymer surface and water molecules, resulting in enhanced hydrophilicity and dispersity of the photocatalyst. Density functional theory calculations showed that the adenine-functionalized polymer exhibited significantly higher photocatalytic activity compared to alkyl-functionalized polymer, showcasing the effectiveness of side-chain engineering for organic photocatalysts.
Article
Polymer Science
Shiwei Ren, Yubing Ding, Wenqing Zhang, Zhuoer Wang, Sichun Wang, Zhengran Yi
Summary: Organic polymer semiconductor materials can be easily tuned by rational molecular structure design to modulate their material properties, which affects the device performance. By designing and synthesizing a series of terpolymer materials for organic thin-film transistor (OTFT) devices, we found that the structural difference of the materials leads to significantly different mobility behavior. This study provides a basis for designing semiconductor materials with higher carrier mobility.
Article
Nanoscience & Nanotechnology
Ibrahim Oladayo Raji, Shuguang Wen, Yonghai Li, Da Huang, Xiaoyan Shi, Aziz Saparbaev, Chuantao Gu, Chunming Yang, Xichang Bao
Summary: Alkylthio groups can modulate the energy levels and molecular packing of organic semiconductors, which is important for designing materials for organic solar cells. Introducing alkylthio side chains into donor or acceptor units can lead to materials with different energy levels, optimizing performance in organic solar cells.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Polymer Science
Soham Maity, Anjan Bedi, Satish Patil
Summary: Chiral all-pi-conjugated conducting polymers, specifically diketopyrrolopyrrole-based copolymers, exhibit intriguing chiroptical properties and supramolecular self-assembly, with a notable bimodal Cotton effect in D-A intramolecular charge transfer transition. Various characterization techniques were employed to understand the morphology and optical activity of these polymers.
JOURNAL OF POLYMER SCIENCE
(2021)
Article
Engineering, Chemical
Pin-Hsiang Chueh, Chih-Yuan Chang, Yen-Cheng Lin, Wen-Chang Chen, Chu-Chen Chueh
Summary: This study investigates the influence of asymmetric sidechain design on the mobility-stretchability properties of conjugated polymers and finds that the asymmetric SiO/Si sidechain combination can improve the mobility-stretchability property of the derived polymer.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Chemistry, Multidisciplinary
Xiaoyi Li, Yilin Li, Kasturi Sarang, Jodie Lutkenhaus, Rafael Verduzco
Summary: The study shows that by incorporating ethylene glycol side chains, the electrochemical performance of conjugated polymer electrodes can be significantly improved, especially in thick electrodes, demonstrating higher rate performance and capacity. This work provides a pathway for enhancing the rate of ion transport in conjugated polymers and improving the performance and capacity of conjugated-polymer-based electrodes.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Cultural Studies
Pierre Macherey
Summary: When translating the expression "Foucault's way out of Hegel," we are confronted with the question of whether it describes a connection or a disjunction between the past and the future, a line of descent or a rejection.
THEORY CULTURE & SOCIETY
(2023)
Article
Polymer Science
Ye Yuan, Fengsheng Zhao, Yafei Ding, Guobing Zhang, Xiaohong Wang, Longzhen Qiu
Summary: This study provides an efficient strategy for the design and synthesis of CPs with high carrier transport properties and mechanical stability by modifying the symmetry of the side chains. The silicon-carbon asymmetric side chains can enhance the aggregation degree of polymer chains while maintaining good mobility and mechanical performance. Additionally, the P(C-Si) polymer exhibits superior tensile properties even when highly stretched, retaining a majority of its properties.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Polymer Science
Jiale Zhang, He Cheng, Zihao Meng, Hao Zhang, Zhenyang Luo, Mohd. Muddassir, Xiang Li, Ye Sha
Summary: The controlled polymerization of the norbornene-functionaliz meta[6]cycloparaphenylene (m[6]CPP) monomer through ROMP is reported for the first time. The pendant m[6]CPP nanohoop is incorporated away from the main polymer backbone. The unique photophysical properties of m[6]CPP are retained in the polymer, demonstrating the convergence of precise organic synthesis and macromolecular chemistry for functional carbon-based materials.
Article
Materials Science, Multidisciplinary
Yeonhwa Cho, Taehoon Kim, Woongki Lee, Hwajeong Kim, Youngkyoo Kim
Summary: Here, we present the fabrication and characterization of ambipolar organic phototransistors (OPTRs) with sensing channel layers of a conjugated terpolymer, PDPP-8OBT-NDI. The OPTRs exhibited well-balanced ambipolar characteristics at a wide voltage range and showed high photosensitivity in the near-infrared (NIR) region. The devices also displayed stable and reproducible photocurrent responses under continuous NIR light illumination and optical on/off modulation.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Murali Gedda, Despoina Gkeka, Mohamad Insan Nugraha, Alberto D. Scaccabarozzi, Emre Yengel, Jafar Khan, Lain Hamilton, Yuanbao Lin, Marielle Deconinck, Yana Vaynzof, Frederic Laquai, Donal D. C. Bradley, Thomas D. Anthopoulos
Summary: This study reports highly efficient green PeLEDs based on blends of low-dimensional hybrid perovskite and organic semiconductor, which achieve greatly enhanced performance characteristics through the use of self-assembled monolayers as hole-injecting layers.
ADVANCED ENERGY MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Suman Mandal, Yanbei Hou, Mingqing Wang, Thomas D. Anthopoulos, Kwang Leong Choy
Summary: This study systematically investigated the effect of surface functionalization on TiO2 and BaTiO3 nanoparticles (NPs) to improve the dielectric permittivity of polyvinylidene fluoride (PVDF) nanocomposites (NCs). The dielectric permittivity of TiO2 and BaTiO3 NPs increased by 23% and 74% respectively, at a frequency of 1 kHz. A new hetero-phase filler-based approach was developed to further enhance the dielectric permittivity of PVDF/NPs-based NCs. A dielectric constant of 50.2, comparable to BaTiO3-based NCs, was achieved using a 1:3 mixing ratio of TiO2:BaTiO3 NPs. The highest dielectric constant of 76.1 at 1 kHz was obtained with a (3-aminopropyl)triethoxysilane (APTES)-modified hetero-phase-based PVDF composite at a volume concentration of 5%. This work is an important step towards inexpensive and easy-to-process high-k nanocomposite dielectrics.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Filip Anies, Mohamad I. Nugraha, Arona Fall, Julianna Panidi, Yuxi Zhao, Patrice Vanelle, Leonidas Tsetseris, Julie Broggi, Thomas D. Anthopoulos, Martin Heeney
Summary: Molecular doping using air-stable carboxylated dopant precursors has been developed to enhance the electronic properties of organic semiconductors (OSCs). The dopants can be easily generated in solution and applied to n-type organic field-effect transistors (OFETs). Experimental and computational studies reveal the decarboxylation and dimerization processes involved in the formation of active dopants. The successful improvement of device performance demonstrates the versatility of the dopants across different OSCs.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Hu Chen, Sang Young Jeong, Junfu Tian, Yadong Zhang, Dipti R. Naphade, Maryam Alsufyani, Weimin Zhang, Sophie Griggs, Hanlin Hu, Stephen Barlow, Han Young Woo, Seth R. Marder, Thomas D. Anthopoulos, Iain McCulloch, Yuanbao Lin
Summary: A nonfullerene acceptor isoIDITC with fibril-like morphology is utilized as a third component in organic photovoltaic devices, achieving a power conversion efficiency of 19%. The ternary blend shows an alloy model and a well-defined fibril-like network, enhancing crystallization and improving carrier mobility and lifetime compared to binary devices. The use of isoIDITC suppresses demixing and increases T80 lifetime, making it an important component for high-performance and stable ternary OPVs.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Polymer Science
Xiantao Hu, Aniruddha Basu, Martina Rimmele, Adam V. V. Marsh, Filip Anies, Qiao He, Thomas D. D. Anthopoulos, Martin Heeney
Summary: We report the synthesis and characterization of four novel n-type polymer semiconductors containing a 2-(1,3-dithiol-2-ylidene)malonitrile (DTYM) group as an acceptor and a 2,1,3-benzothiadiazole (BT) unit. The introduction of the DTYM group leads to backbone twisting and blue-shifted absorption, but increases the dipole moment and electron affinity. All polymers exhibit n-type semiconducting character in organic field-effect transistors (OFETs), with the fluorinated bithiophene donor demonstrating the best performance. This work highlights the influence of the DTYM group on polymer semiconductors and its potential as a functional group to enhance electron affinity.
Article
Chemistry, Multidisciplinary
Elisabeth A. Duijnstee, Benjamin M. Gallant, Philippe Holzhey, Dominik J. Kubicki, Silvia Collavini, Bernd K. Sturdza, Harry C. Sansom, Joel Smith, Matthias J. Gutmann, Santanu Saha, Murali Gedda, Mohamad I. Nugraha, Manuel Kober-Czerny, Chelsea Xia, Adam D. Wright, Yen-Hung Lin, Alexandra J. Ramadan, Andrew Matzen, Esther Y. -H. Hung, Seongrok Seo, Suer Zhou, Jongchul Lim, Thomas D. Anthopoulos, Marina R. Filip, Michael B. Johnston, Robin J. Nicholas, Juan Luis Delgado, Henry J. Snaith
Summary: By adding MDACl2 to FAPbI3, the ambient-phase stability of FAPbI3 can be enhanced and world-record photovoltaic efficiencies can be achieved. However, it is actually the rapid degradation of MDACl2 to HMTA in the solution that is responsible for the improved material stability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Polymer Science
Qiao He, Jessica Shaw, Yuliar Firdaus, Xiantao Hu, Bowen Ding, Adam V. Marsh, Alexandre S. Dumon, Yang Han, Zhuping Fei, Thomas D. Anthopoulos, Christopher R. McNeill, Martin Heeney
Summary: In this work, a new synthesis method for a key building block of the ring-expanded electron-deficient pentacyclic azepinedione (BTTA) was reported. Three copolymers of BTAA with different side chains were prepared and their performance in transistor and photovoltaic devices were studied. The best-performing polymers in transistor devices exhibited maximum saturation hole mobilities of 0.027 and 0.017 cm(2) V-1 s(-1), and the best photovoltaic efficiency achieved was 6.78% for pBDT-BTTA-3-based devices. The use of a low band gap non-fullerene acceptor (BTP-eC9) resulted in improved efficiency of up to 13.5%. These results demonstrate the versatile applications of the electron-deficient BTTA unit in organic electronics.
Article
Chemistry, Multidisciplinary
Swati Deswal, Rishukumar Panday, Dipti R. Naphade, Pierre-Andre Cazade, Sarah Guerin, Jan K. Zareba, Alexander Steiner, Satishchandra Ogale, Thomas D. Anthopoulos, Ramamoorthy Boomishankar
Summary: Cyclophosphazenes have been found to be a versatile platform for various functional systems, and this study reports the first supramolecular ferroelectric compound based on an organophosphazene. The compound exhibits multiaxial polarization and shows potential for piezoelectric energy harvesting applications. The high performance of the compound is attributed to the flexible layered supramolecular assembly, which allows for mechanical stress-induced distortions.
Review
Chemistry, Analytical
Masoud Negahdary, Abhinav Sharma, Thomas D. Anthopoulos, Lucio Angnes
Summary: Heart diseases, especially myocardial infarction (MI), are the leading cause of death. Electrochemical biosensors are cutting-edge diagnostic tools that can accurately measure cardiac biomarkers released during a heart attack, enabling rapid screening and treatment initiation. These biosensors, equipped with nano-materials, have improved diagnostic performance and sensitivity, facilitating reliable detection. Evaluating
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Konstantinos Rogdakis, Konstantinos Chatzimanolis, George Psaltakis, Nikolaos Tzoganakis, Dimitris Tsikritzis, Thomas D. Anthopoulos, Emmanuel Kymakis
Summary: In this study, a three-terminal mixed-halide perovskite memristive device with gate-tunable synaptic functions operating at low potentials is demonstrated. The device shows extended endurance and state retention, and the channel conductance can be modulated by applying a VG potential, reducing the operating electric field required.
ADVANCED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Supriya Sahoo, Premkumar Anil Kothavade, Dipti R. Naphade, Arun Torris, Balu Praveenkumar, Jan K. Zareba, Thomas D. Anthopoulos, Kadhiravan Shanmuganathan, Ramamoorthy Boomishankar
Summary: Three-dimensional printing is a novel technology used to fabricate complex structures for advanced flexible and wearable electronic devices. Researchers have developed a 3D-printed composite material consisting of a chiral ferroelectric organic salt with a biodegradable polymer, which serves as a highly efficient piezoelectric nanogenerator.
MATERIALS HORIZONS
(2023)
Article
Chemistry, Multidisciplinary
Neetu Prajesh, Dipti R. Naphade, Ashok Yadav, Vikash Kushwaha, Balu Praveenkumar, Jan K. Zareba, Thomas D. Anthopoulos, Ramamoorthy Boomishankar
Summary: The ferroelectric behavior of an octahedral cage material, denoted as 1, has been discovered with high remnant polarization. Clear domain structures and characteristic electromechanical responses have been demonstrated for a thin film of 1 using piezoresponsive force microscopy. Polymer composites of 1 have been employed as efficient piezoelectric nanogenerators due to their mechanical energy conversion capability.
CHEMICAL COMMUNICATIONS
(2023)
Article
Engineering, Electrical & Electronic
Emre Yarali, Jehad K. El-Demellawi, Hendrik Faber, Dipti Naphade, Yuanbao Lin, Kalaivanan Loganathan, Wejdan S. Alghamdi, Xiangming Xu, Atteq Ur Rehman, Erkan Aydin, Despoina Gkeka, Linqu Luo, Emre Yengel, Temur Maksudov, Stefaan De Wolf, Husam N. Alshareef, Thomas D. Anthopoulos
Summary: Printable large-area electronics are attracting increasing interest due to their potential for cost-efficient manufacturing. MXenes, a family of two-dimensional transition metal carbides/nitrides, hold promise as electrode materials for printed electronics. In this study, In2O3/ZnO heterojunction metal oxide thin-film transistors (TFTs) were developed using spray-coated Ti3C2Tx MXene. The fully spray-coated devices demonstrated electron mobility of 3 cm2 V-1 s-1 and an on/off ratio of >104, showing the possibility of replacing conventional metal contacts in large-area electronics.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Mohamad Insan Nugraha, Indriyati Indriyati, Indah Primadona, Murali Gedda, Gerald Ensang Timuda, Ferry Iskandar, Thomas D. Anthopoulos
Summary: This article reviews recent progress in the use of semiconducting colloidal quantum dots (CQDs) in emerging thin-film thermoelectrics. It outlines the fundamental concepts of thermoelectricity in nanostructured materials, provides an overview of popular synthetic methods for producing CQDs, and discusses their application in thin-film thermoelectric generators (TEGs). The current challenges and future perspectives for enhancing the performance of CQD-based thermoelectric materials are also discussed.
ADVANCED MATERIALS
(2023)
Review
Materials Science, Multidisciplinary
Abhinav Sharma, Hendrik Faber, Ajit Khosla, Thomas D. Anthopoulos
Summary: Portable, affordable, and miniaturized electrochemical sensors produced by 3D printing have revolutionized healthcare diagnostics in recent years. This article reviews the recent developments in 3D printing technology for electrochemical sensors and discusses the challenges and potential solutions for future biomedical applications.
MATERIALS SCIENCE & ENGINEERING R-REPORTS
(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)
