Article
Electrochemistry
Yong Zheng, Qian Wang, Yongjun Zheng, Zhen Wang, Dayong Tian
Summary: In this study, a stable ionic liquid was used to dissolve aluminum in aluminum chloride solution, and the resulting mixture was used as a low-temperature electrolyte for the electrolytic recovery of pure aluminum. Experimental results showed that aluminum could be electrodeposited from the electrolyte, and impurity elements of the aluminum alloy could also be removed by the electrolytic method. Scanning electron microscopy observations revealed that smooth and adherent deposits were obtained at a specific voltage and temperature range, with high aluminum purity. This study may contribute to the application of ionic liquids in the low-temperature recycling of waste aluminum alloys.
INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE
(2022)
Article
Chemistry, Physical
Kana Ishisone, Guido Ori, Mauro Boero
Summary: This study provides a detailed insight into the structural and electronic interactions in the ionic liquid targeted for low-power electronics and optoelectronic devices. Through first principles dynamical simulations and long-lasting dynamical simulations, the nature of bonding and non-bonding interactions, conformational changes, induced dipole moments, and the mobilities of the ionic species are revealed. Additionally, the analysis of the electronic structure and charge distributions helps to understand the electrostatic interactions, hydrogen bonding properties, and the infra-red and dielectric response of the system.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Hiroshi Abe, Yuto Yoshiichi, Hiroaki Kishimura
Summary: Hydrogen/deuterium exchange in hydrophobic ionic liquid-propanol solutions was investigated by Raman spectroscopy. The study found that the type of ionic liquid and additives had an influence on the H/D exchange process.
Article
Electrochemistry
T. Taskovic, A. Eldesoky, C. P. Aiken, J. R. Dahn
Summary: By using low voltage operation, optimizing electrolyte salts and solvents, and improving the structure of the negative electrode, the cycle life and capacity retention of lithium-ion batteries can be significantly improved at high temperatures.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Thermodynamics
Rui-Jie Xu, Shang-Hao Liu, Ke-Fan Wu, Chang-Fei Yu
Summary: Coal spontaneous combustion endangers the safety of the coal industry and results in the emission of a large amount of carbon dioxide, which poses a threat to the ecological environment. This study demonstrates that ionic liquid can be used as a flame retardant to inhibit the spontaneous combustion of coal.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Thermodynamics
Xinmiao Liang, Huichun Jiang, Xuhai Pan, Min Hua, Juncheng Jiang
Summary: This study optimized the properties of NC as a propellant binder by introducing [Bmim][NTf2] as an additive, resulting in NC-NTf(2) with low onset decomposition temperature, low activation energy, and high energy release rate. The thermal degradation processes and essential thermodynamic parameters of NC-P, NC-NTf2, and NC-NTf2-eth were investigated to evaluate the overall performance of NC as a propellant binder.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Analytical
Zong Guo, Taiwei Chu
Summary: In this study, a separation and purification process of U(VI), Zr(IV) and I-2 from various fission products in nitric acid solution was investigated using 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C(4)mim][NTf2]) and dibutyl-3-(3-methylimidazolium)propylphosphoramide bis(trifluoromethanesulfonyl)imide-task specific ionic liquid (phosphoramide-TSIL). The phosphoramide-TSIL exhibited reduced ligand loss compared to dibutyl propylphosphoramidate, and successful stripping of U(VI), Zr(IV) and I-2 was achieved using different solutions. The phosphoramide-TSIL/[C(4)mim][NTf2] showed good irradiation stability and recyclability, and has potential for application in separation and purification in actual radioactive environments.
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Kallidanthiyil Chellappan Lethesh, Ahmed Bahaa, Mariam Abdullah, Musbaudeen O. Bamgbopa, Rahmat Agung Susantyoko
Summary: The electrochemical stability of 22 commercially available hydrophobic ionic liquids was systematically studied for their application as electrolytes in supercapacitors under harsh weather conditions. The study measured the stability at different temperatures and evaluated the influence of cations, anions, and functional groups on the observed stability window, which ranged from 4.1 to 6.1 V.
FRONTIERS IN CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Fabien Krebs, Oliver Hoefft, Frank Endres
Summary: The interface between ionic liquids (ILs) and metals, particularly in electrochemical deposition and nanoscale tribology applications, was studied. The interaction between [Py-1,Py-4]TFSI and [EMIm]TFSI ILs and platinum was found to be minimal, while strong interaction with the surface was observed in the case of [EMIm]TFSI. On the other hand, massive decomposition of both ILs occurred on the aluminum surface. The spectra revealed cleavage of C-F or N-S bonds in the [TFSI](-) anion and the appearance of various decomposition products at the interface.
Article
Chemistry, Physical
Aycan Altun, Osman Nuri Sara
Summary: In this study, the densities and viscosities of binary mixtures of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, [bmim][NTf2], and ethylene glycol (EG) were experimentally measured. A first-order polynomial and Vogel-FulcherTammann equation were used to estimate the densities and viscosities of the mixtures, respectively. The excess molar volume, viscosity, and Gibbs energy of activation for viscous flow were calculated and fitted to the Redlich-Kister equation. The thermal expansion coefficients and partial and apparent molar volumes of [bmim][NTf2] and EG in their binary mixtures were also investigated.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Polymer Science
Maxi Hoffmann, Ciprian Iacob, Gina Kaysan, Mira Simmler, Hermann Nirschl, Gisela Guthausen, Manfred Wilhelm
Summary: This study investigated the charge transport, diffusion properties, and glassy dynamics of blends of imidazolium-based ionic liquid and its corresponding polymer using PFG-NMR and rheo-BDS techniques. The results showed that the mechanical properties and ionic conductivity of the polymer blend were higher compared to the monomer, indicating substantial modifications of the mechanical properties. However, the charge transport was not significantly affected by the blending of components.
Article
Thermodynamics
Chan-Cheng Chen, Yi-Syuan Huang
Summary: It is important to evaluate the thermal stability of the ionic liquid [Bmim][NTf2] in air atmosphere when used as an electrolyte for supercapacitors. The study found that different crucible materials have an effect on the thermal behavior results of the ionic liquid. It is recommended to carefully consider the material effect of the container when using the TGA/DSC method to evaluate the thermal stability of the ionic liquid [Bmim][NTf2] in air atmosphere.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Chemistry, Physical
Chunhui Li, Hui He, Chenxi Hou, Mingjian He, Caishan Jiao, Qingjiang Pan, Meng Zhang
Summary: The complex behavior of extractants in ionic liquids has been studied through theoretical calculations and simulations, revealing that ion pairs are favored over separated ions and the interaction with the extractant is primarily driven by electrostatic forces. The concentration of the extractant greatly influences the local structures and interactions.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Engineering, Electrical & Electronic
R. M. L. L. Rathnayake, K. S. Perera, K. P. Vidanapathirana
Summary: An ionic liquid-based polymer electrolyte with high room temperature ionic conductivity and good mechanical properties was prepared using PVdF-co-HFP as the polymer, 1B3MITFSI as the IL, and ZnTf as the salt. The resulting electrolyte showed promising potential for applications in energy storage devices such as batteries.
JOURNAL OF ELECTRONIC MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Nilesh R. Dhumal, Kyung Seol, Dmitry Isaev, Michelle Helminen, Brooke Williams, Sherly Latortue
Summary: In this study, density functional theory calculations were used to analyze hydrogen-bonding interactions in dicationic ionic liquids, revealing that weak hydrogen bonding may lead to greater conformational equilibrium.
Article
Chemistry, Physical
Yusuke Morino, Hikaru Sano, Koji Kawamoto, Hiroyuki Higuchi, Noriyuki Yamamoto, Atsunori Matsuda, Ken-ichi Fukui, Atsushi Sakuda, Akitoshi Hayashi
Summary: Sulfide-based solid electrolytes have high lithium-ion conductivities, but react strongly with moisture, resulting in toxic gas generation and reduced conductivity. This study investigates the changes in a glass-ceramic sulfide-based solid electrolyte before and after exposure to moisture, focusing on surface chemical species and adsorbed water. Moisture exposure decreases lithium-ion conductivity due to water adsorption onto the electrolyte surface.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Shohei Kitano, Ichiro Tanabe, Nobutaka Shioya, Takeshi Hasegawa, Tsuyoshi Murata, Yasushi Morita, Ryotaro Tsuji, Ken-ichi Fukui
Summary: Voltammetric and in situ infrared (IR) spectroelectrochemical studies were conducted to investigate the electrochemical dynamics of a stable trioxotriangulene (TOT) organic neutral pi- radical on a graphite electrode surface. The formation and dissolution of upright columnar crystals (face-on alignment) of TOT neutral radical were observed in a low concentration electrolyte, while more flat-lying columnar crystals (edge-on alignment) were formed in a higher concentration electrolyte. In situ IR attenuated total reflectance spectroscopy analyses characterized the crystal alignment and electrochemical behaviors of TOT neutral radicals, shedding light on the irreversible redox reaction of TOT on the graphite electrode.
Article
Chemistry, Physical
Yusuke Morino, Hikaru Sano, Koji Kawamoto, Ken-ichi Fukui, Masato Takeuchi, Atsushi Sakuda, Akitoshi Hayashi
Summary: Sulfide-based solid electrolytes are promising for solid-state lithium batteries due to their high ionic conductivities, suitable mechanical properties, and wide electrochemical windows. However, the hygroscopic nature of sulfide in these materials leads to the generation of toxic H2S gas upon reacting with water, which reduces the lithium-ion conductivity. On the other hand, it has been observed that conducting performance can be partially recovered through suitable heat treatment. This study employed multiple spectroscopic analyses to investigate the degradation and recovery mechanisms of a sulfide solid electrolyte under moisture exposure and vacuum heat treatment.
SOLID STATE IONICS
(2023)
Article
Chemistry, Multidisciplinary
Rizka N. Fadilla, Febdian Rusydi, Roichatul Madinah, Hermawan K. Dipojono, Faozan Ahmad, Mudasir Mudasir, Ira Puspitasari, Yoshitada Morikawa
Summary: Enzymatic hydrolysis is the main method to deal with ACh depletion, but a recent study suggests that non-enzymatic hydrolysis may also contribute to the depletion. This study emphasizes the importance of considering possible conformers, discrete-continuum models, and dispersive effects in investigating the neutral hydrolysis of flexible molecules in aqueous solution. The results confirm the reactivity of high-energy ACh conformer towards neutral hydrolysis and propose conformational changes before hydrolysis. The calculated activation and reaction energy show that the discrete-continuum solvation model provides the closest result to experimental observations. Neglecting dispersive effects results in unreliable structures in the initial state and unreliable activation energy.
Article
Chemistry, Multidisciplinary
Pradeep R. Varadwaj, Van An Dinh, Yoshitada Morikawa, Ryoji Asahi
Summary: Titanium dioxide (TiO2) is an important functional material with diverse applications. This study investigated the effects of different projector augmented wave (PAW) potentials on the properties of TiO2 and its phases. The use of PBEsol level and standard PAW potential centered on Ti reproduced the experimental results well. The failure of soft potentials in predicting certain properties was discussed. Hybrid functionals slightly improved the accuracy at the expense of increased computation time. The influence of external hydrostatic pressure on the lattice was also highlighted.
Review
Chemistry, Multidisciplinary
Raymond A. A. Wong, Yasuyuki Yokota, Yousoo Kim
Summary: Electrochemistry plays a crucial role in addressing societal issues, and understanding the nature of electrode-electrolyte interfaces is a challenge due to the thick liquid electrolyte layer. However, combined ultrahigh vacuum-electrochemistry (UHV-EC) approaches provide a way to bridge electrochemistry with UHV-based techniques by removing the electrolyte layer for analysis.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Physical
Muhammad Rifqi Al Fauzan, Thanh Ngoc Pham, Harry Handoko Halim, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
Summary: In this study, the NO reduction reaction on different Cu surfaces was investigated at various temperatures. It was found that the reaction can occur through monomer dissociation and dimer-mediated dissociation pathways. During the cold start period, dimer-mediated dissociation is the predominant reaction, while at typical catalyst temperatures, monomer dissociation also takes place, leading to a decrease in NO conversion.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Yuzu Kobayashi, Yasuyuki Yokota, Yasufumi Takahashi, Jun Takeya, Yousoo Kim
Summary: Direct measurements at the solid-liquid interface on the nanometer scale provide valuable information for fundamental and applied research. In this study, a novel method was developed to fabricate an electrochemical scanning tunneling microscopy (EC-STM) probe with high reproducibility. By electrochemically depositing Au on a pyrolytic carbon formed within a glass nanopipette, a sufficient insulation was achieved, overcoming the challenges in previous EC-STM studies. The high-quality EC-STM images obtained using this probe will pave the way for advanced measurements at various solid-liquid interfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Kouji Inagaki, Akira Saito, Hideji Osuga, Yoshitada Morikawa, Yuji Kuwahara
Summary: Chiral recognition behavior leading to the formation of self-assembled zigzag chain structures of rac-[7]thiaheterohelicene on the Ag(111) surface was investigated using density functional theory (DFT) calculations and molecular dynamics (MD) simulations. DFT calculations showed weak interaction between the molecule and the Ag surface, suggesting physisorption of the molecule on the surface. MD simulations provided insight into the initial formation process of the ordered structures, supporting experimental observations. Heterochiral dimers, formed through pi-pi interaction, were identified as crucial building blocks for long-range zigzag chains with alternate arrangement of different enantiomers. The interaction among neighboring chains and the most preferable arrangement of 2D ordered structures were also elucidated.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Condensed Matter
Luong Thi Ta, Yoshitada Morikawa, Ikutaro Hamada
Summary: The electronic and optical properties of the hydrogen boride sheet were studied using the many-body perturbation theory with the perturbative GW (G(0)W(0)) approximation. It was found that the hydrogen boride sheet exhibits a semimetallic electronic structure, confirming previous theoretical studies. Additionally, the optical spectrum calculated based on quasiparticle energies agrees well with experimental results. This work suggests that the G(0)W(0) approximation may be valuable for predicting precise electronic and optical properties of the hydrogen boride sheet and its derivatives.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Physics, Condensed Matter
Harry H. Halim, Ryo Ueda, Yoshitada Morikawa
Summary: The formation of Cu clusters on the Cu(111) surface through adsorbate-induced surface transformation is investigated using molecular dynamics simulations driven by a machine-learning force-field. The simulations show that CO exposure is crucial for the formation of clusters, with no clusters formed on the clean Cu surface even at high temperature. The effect of temperature on cluster formation is also studied.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Multidisciplinary
Miwa Hikichi, Junpei Takeshita, Natsumi Noguchi, Shin-ichi Ito, Yukihiro Yasuda, Luong Thi Ta, Kurt Irvin M. Rojas, Iwao Matsuda, Satoshi Tominaka, Yoshitada Morikawa, Ikutaro Hamada, Masahiro Miyauchi, Takahiro Kondo
Summary: Hydrogen boride (HB), a freestanding 2D hydrogenated-borophene (borophane) polymorph, is synthesized via ion exchange. Control of the BHB/BH bond ratio in HB sheets is achieved by adjusting the volume of ion-exchange resin during synthesis. The ability to control the BHB/BH bond ratio provides new avenues for optimizing the properties of HB sheets for various applications.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Yuelin Wang, Thanh Ngoc Pham, Harry H. Halim, Likai Yan, Yoshitada Morikawa
Summary: Finding alternative electrocatalysts to replace expensive platinum for oxygen reduction reaction (ORR) is crucial for the development of fuel cells. Nitrogen-doped graphdiyne (GDY) has shown promising ORR electrocatalytic activity, but the roles of different nitrogen dopants in mediating the ORR are still unclear. In this study, we systematically investigated the ORR mechanism on nitrogen-doped GDY supported on graphene with solvation effect. Our results provide valuable insights into the reaction mechanisms of ORR at the solid/liquid interface on nitrogen-doped GDY surface.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Physical
HarryH. Halim, Yoshitada Morikawa
Summary: The formation process and structure of the Cu-Zn surface alloy on a Cu substrate were investigated using machine-learning molecular dynamics. The simulation revealed the atomistic details of the alloying process, highlighting the role of steps and kinks in the alloying. The rationalization of alloying behavior was performed based on statistics and barriers of various elementary events.
ACS PHYSICAL CHEMISTRY AU
(2022)
Article
Materials Science, Multidisciplinary
Yuelin Wang, Thanh Ngoc Pham, Likai Yan, Yoshitada Morikawa
Summary: The study investigates the mechanism of N-2 adsorption and fixation on B doped g-C9N10 material by density functional theory calculations. It is found that nitrogen reduction reaction can only proceed on B-N1 and BA due to their strong N-2 chemisorption ability. The optimal N2RR mechanism for B-N1 and BA doped g-C9N10 is the mix I mechanism, with H poisoning effect at BA doped g-C9N10 suppressing N2RR selectivity.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
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)
