Article
Chemistry, Physical
Izumi Umegaki, Kazuki Ohishi, Takehito Nakano, Shoichiro Nishimura, Soshi Takeshita, Akihiro Koda, Kazuhiko Ninomiya, M. Kenya Kubo, Jun Sugiyama
Summary: In this study, the intrinsic self-diffusion coefficient of Li+ in a battery anode material was investigated using negative and positive muon spin rotation and relaxation spectra. The results showed that muonic oxygen is immobile until the spinel decomposition temperature, while the mu(+) at an interstitial site diffuses at high temperatures. By analyzing the temperature dependence of the field fluctuation rate, it was confirmed that Li+ diffusion is responsible for the fluctuation in the internal nuclear magnetic field. The diffusion coefficient was estimated to be 8(2) x 10(-1)2 cm(2)/s at 300 K.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Innes McClelland, Samuel G. Booth, Hany El-Shinawi, Beth I. J. Johnston, Jasmin Clough, Weimin Guo, Edmund J. Cussen, Peter J. Baker, Serena A. Corr
Summary: In situ muon spin relaxation is used to study ionic diffusion processes in a NASICON-type all-solid-state battery. Lattice matching of the cathode and electrolyte crystal structures enhances Li+ diffusion to minimize interfacial resistance. This technique allows for simultaneous observation of intrinsic ionic dynamics and electrochemical behavior in a nondestructive manner.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Kazuki Ohishi, Daisuke Igarashi, Ryoichi Tatara, Izumi Umegaki, Akihiro Koda, Shinichi Komaba, Jun Sugiyama
Summary: The self-diffusion coefficient of Li+ ions in LixCoO2 was determined using a positive muon spin rotation and relaxation technique. The results showed that DLiJ increased as the Li content decreased and exhibited two small minima at x≈2/3 and x≈1/2. Furthermore, DLiJ showed a similar trend to the self-diffusion coefficient estimated using electrochemical techniques.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Yang Chen, Shujian Liu, Shaokai Cheng, Shuyu Gao, Jingchao Chai, Qiuyue Jiang, Zhihong Liu, Xueqing Liu, Jiyan Liu, Ming Xie, Wubin Dai
Summary: Polyacrylonitrile (PAN) binder shows excellent performance in high-voltage LiCoO2 (HV-LCO) electrode, with high cycling stability and rate capability, and high tolerance to moisture. Furthermore, PAN binder suppresses the decomposition of liquid electrolyte by forming uniform coating on the surface of LiCoO2 and acting as an artificial cathode-electrolyte interphase layer.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
Kazuki Ohishi, Daisuke Igarashi, Ryoichi Tatara, Izumi Umegaki, Jumpei. G. G. Nakamura, Akihiro Koda, Martin Mansson, Shinichi Komaba, Jun Sugiyama
Summary: In this study, the self-diffusion coefficient of Na+ in P2-NaxCoO2 was measured using an operando muon spin rotation and relaxation (mu+ SR) technique. The results showed that DNaJ ranged from 7 x 10(-12) to 2 x 10(-11) cm2/s, decreasing with decreasing Na content x. However, the electrochemical technique determined a higher apparent self-diffusion coefficient (D-Na(J),app) than DNaJ, except at x = 1/2, 2/3, and approx. 0.72. The mu+ SR measurements also revealed a strong temperature dependence of Na dynamics near room temperature.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Jonghyeok Yun, Janghyuk Moon, Gwang Hyeon Eom, Janghyuk moon, Jung Ho Kim, Min-Sik Park, Jong-Won Lee, Shi Xue Dou
Summary: In this study, reversible Li metal storage in carbon hosts is demonstrated, with the aid of metal-organic frameworks (MOFs) and galvanically displaced Ag. The spatial distribution of Ag plays a crucial role in controlling Li storage behavior and reversibility. Atomic Ag clusters trigger stable battery cycling, while surface-anchored Ag nanoparticles result in a performance drop.
Article
Electrochemistry
Yeon Tae Jeong, Hong Rim Shin, Jinhong Lee, Myung-Hyun Ryu, Sinho Choi, Hansung Kim, Kyu-Nam Jung, Jong-Won Lee
Summary: In recent years, significant efforts have been made to find a fast-charging method for lithium-ion batteries (LIBs), which can be widely used in electric vehicles. The research focuses on suppressing lithium (Li) plating on the graphite anode, as it causes capacity deterioration and safety issues under fast-charging conditions. This study presents mechanistic insights into pulse-current-based fast-charging, which effectively inhibits Li plating on the anode by redistributing Li+ species at the electrolyte/anode interface periodically.
ELECTROCHIMICA ACTA
(2023)
Article
Electrochemistry
Srikanth Ponnada, Demudu Babu Gorle, Rapaka S. Chandra Bose, Maryam Sadat Kiai, Meghali Devi, Chikkili Venkateswara Raju, Nilgun Baydogan, Karuna Kar Nanda, Frank Marken, Rakesh K. Sharma
Summary: Compared to traditional lithium-ion batteries, all-solid-state batteries offer improved safety and higher energy and power density. However, the limitations of solid electrolytes and the lack of suitable electrolytes hinder their practical applications. In recent years, 3D printing techniques have played a vital role in constructing solid-state batteries, enhancing their performance and addressing existing challenges and limitations.
BATTERIES & SUPERCAPS
(2022)
Review
Electrochemistry
Lingchen Kong, Yu Li, Wei Feng
Summary: As global energy policy shifts towards renewable energy, lithium batteries have become a focus due to their advantages over other batteries. Safety promotion is urgent as energy density increases. Various strategies such as design and modification of battery components are discussed in this review to suppress thermal runaway and improve safety.
ELECTROCHEMICAL ENERGY REVIEWS
(2021)
Article
Engineering, Environmental
Wei Wang, Shuhang Xia, Wenying Xue, Jin Wang, Xiaofei Wang, Huilan Li, Shiru Lin, Yu Zhao, Lina Wang, Yonggang Wang
Summary: Sulfurized polyacrylonitrile (SPAN) is a promising cathode material with high energy density, but it easily triggers irreversible shuttling effect in ether electrolytes. This study reveals the morphological and structural roles responsible for the compatibility of SPAN with ether electrolytes. By controlling molecular rearrangement and protecting SPAN fragments, stable cycling of electrodes and improved recharge ability can be achieved, offering new insights into cathode design of Li-S batteries.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Tao Yang, Yan Song, Xiaodong Tian, Shijie Wu, Zhanjun Liu
Summary: The difference in composition of pitch plays a crucial role in determining the porosity of pitch-based activated carbons. Different fractions of porous carbons exhibit different reactivity, with the TS fraction typically showing better electrochemical performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Multidisciplinary
Jinsoo Park, Jin-Jian Zhou, Yao Luo, Marco Bernardi
Summary: Developing a microscopic understanding of spin decoherence is crucial for advancing quantum technologies. In this study, the authors present a computational approach that unifies the modeling of two main sources of phonon-induced spin decoherence and enables accurate predictions of spin relaxation and precession in semiconductors. Their findings highlight the significant role of vertex correction in the electron spin dynamics in solids, providing insights for the development of spin-based quantum technologies.
PHYSICAL REVIEW LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Eric M. Kenney, Mitchell M. Bordelon, Chennan Wang, Hubertus Luetkens, Stephen D. Wilson, Michael J. Graf
Summary: We report complementary magnetic measurements of the stretched diamond lattice material LiYbO2 using the local-probe technique of muon spin relaxation. We observe two magnetic transitions and persistent magnetic fluctuations at different temperature ranges, indicating complex magnetic properties in this material.
Article
Green & Sustainable Science & Technology
Yi Ji, Chad T. Jafvert, Nadezhda N. Zyaykina, Fu Zhao
Summary: The increasing demand for electric vehicles and the rapid consumption of rechargeable lithium-ion batteries call for the recycling of spent cathode active materials (CAMs) to reduce hazardous wastes and provide raw materials for battery production. Traditional methods such as direct calcination of polyvinylidene fluoride (PVDF) binder have drawbacks of high energy consumption and toxic gas release. This study explores an environmentally friendly and effective alternative using different lithium salts, and achieves high peel-off efficiency with LiOAc and LiNO3. The mechanism of PVDF decomposition is proposed.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Nanoscience & Nanotechnology
Yabin Shen, Yingqiang Wu, Hongjin Xue, Shaohua Wang, Dongming Yin, Limin Wang, Yong Cheng
Summary: The nucleation and growth process of spherical Ni0.6Co0.2Mn0.2(OH)(2) agglomerates using the hydroxide coprecipitation method in the presence of ammonia was studied. The concentration ratio of Me(NH3)(n)(2+) and OH- in the solution is crucial for obtaining high-quality materials. Experimentally, the HCP reaction was divided into three parts, and a prediction formula for the optimal synthesis conditions based on the optimal ratio was proposed.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Muhammad Fiaz, Muhammad Kashif, Jafar Hussain Shah, Muhammad Naeem Ashiq, D. H. Gregory, Syeda Rabia Batool, Muhammad Athar
Summary: The study involved the preparation of a composite MnO2@MOF-5 by incorporating pre-synthesized MnO2 nanoparticles into MOF-5 during synthesis. The composite showed better durability and the ability to generate a current density of 10 mAcm(-2) at lower overpotential with a Tafel slope of 71 mVdec(-1) compared to previous Mn-based catalysts. The stability of the electrodes was confirmed through various electrochemical tests, including 6000 s chronoamperometric studies under visible light and 100 cycles of continuous CV sweeps in 1.0 M NaOH.
Review
Chemistry, Inorganic & Nuclear
Aleksandra Scigala, Edward Szlyka, Liliana Dobrzanska, Duncan H. Gregory, Robert Szczesny
Summary: This review summarizes the current knowledge on the chemistry of binary copper(I) nitride, Cu3N and its multinary derivatives, and discusses various synthesis methods and potential applications, with a particular focus on the importance of chemical synthetic methods in semiconductor preparation and the discovery of related compounds.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Biochemistry & Molecular Biology
Robert Szczesny, Tuan K. A. Hoang, Liliana Dobrzanska, Duncan H. Gregory
Summary: In this study, an alternative strategy for preparing nanoscale Cu3N was described. Copper(II) oxide/hydroxide nanopowder precursors were successfully fabricated by solution methods. Cu3N particles with diverse morphologies were synthesized from oxygen-containing precursors in two-step processes, demonstrating the potential for preparing Cu3N/SiO2 nanocomposites.
Article
Engineering, Electrical & Electronic
Saima Qureshi, Duncan H. Gregory, Asif Ali Tahir, Safeer Ahmed
Summary: The alpha phase of hematite, produced through aerosol-assisted chemical vapor deposition (AACVD) at 525 degrees C, showed the best quality thin films with stable water oxidation current density in photoelectrochemical (PEC) water splitting. The optimized film exhibited good photocurrent stability and efficient charge transfer kinetics.
JOURNAL OF ELECTRONIC MATERIALS
(2022)
Article
Engineering, Environmental
Saira Attique, Madeeha Batool, Oliver Goerke, Ghayoor Abbas, Faraz Ahmad Saeed, Muhammad Imran Din, Irfan Jalees, Irfan Ahmad, Duncan H. Gregory, Asma Tufail Shah
Summary: This article investigates the catalytic cracking of low-density polyethylene using Fe-POM/attapulgite clay composite materials, and finds that the prepared catalysts can significantly improve the yield of liquid fuel and lower the pyrolysis temperature, indicating great potential for application.
WASTE MANAGEMENT & RESEARCH
(2022)
Article
Energy & Fuels
Warda Hassan, Mujahid Mustaqeem, Umar Farooq, Sajida Noureen, Duncan H. Gregory, Tawfik A. Saleh
Summary: This study investigated the use of unmodified and modified Haloxylon recurvum plant stems (HRS) as sorbents for the removal of Acid Blue 25 dye (AB25) from synthesized dye solutions. The modified biomass showed great potential for binding AB25 at a low pH, and the AB25 sorption behavior varied with the modification technique.
BIOMASS CONVERSION AND BIOREFINERY
(2022)
Review
Chemistry, Multidisciplinary
Nagaraj Nandihalli, Duncan H. Gregory, Takao Mori
Summary: The pillars of Green Chemistry involve the development of new chemical methodologies and processes that can benefit chemical synthesis in terms of energy efficiency, resource conservation, and health, safety, and environmental impact. Implementing green principles can promote the growth of sustainable scientific technologies. This review focuses on the production of energy conversion materials, specifically the energy-efficient synthesis of thermoelectric nanomaterials, highlighting soft chemistry techniques as sustainable alternatives.
Article
Engineering, Chemical
Rasu Muruganantham, Cheng-Yi Lin, Hsin-Wei Wu, Duncan H. Gregory, Wei-Ren Liu
Summary: In this study, a Li7P3S11 solid electrolyte was fabricated and optimized for all-solid-state rechargeable batteries. The study revealed optimal synthesis conditions for the material, which exhibits high ionic conductivity and a higher composition of P2S74-. The use of a composite electrode Li/Li7P3S11 showed lower interfacial resistance and improved cycle capability compared to symmetric cells.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Chemistry, Inorganic & Nuclear
Asmaa Zaraq, Brahim Orayech, Josu M. M. Igartua, Abdeslam El Bouari, Duncan H. H. Gregory, Thorsten M. M. Gesing
Summary: Polycrystalline double perovskite-type Sr-2(Co1-xFex)TeO6 with different compositions were synthesized and their crystal structures and phase transitions were investigated using X-ray powder diffraction. The structures were found to transition from monoclinic to tetragonal to cubic with increasing temperature. Raman spectroscopy confirmed the temperature-dependent vibrational features of the octahedral sites. The presence of two iron sites and the effect of Co and Fe on the optical band-gap were confirmed using room-temperature Mossbauer spectroscopy.
DALTON TRANSACTIONS
(2023)
Review
Physics, Applied
He Zhang, Cunyin Zhang, Duncan H. Gregory, Zhanxiang Yin, Yaqiang Wang, Pan He, Xin Guo
Summary: Pressure is a fundamental thermodynamic variable that has led to prosperous progress in multiple fields by creating exotic materials and modulating transport properties. In the context of inorganic thermoelectric materials, pressure is essential for preparing solid-state materials with specific properties. However, the additional influence of pressure on thermoelectric performance is often underestimated. This review summarizes recent progress in understanding the effects of pressure on crystal structure, electrical transport properties, microstructure, and thermal conductivity in thermoelectrics, and proposes perspectives and strategies for improving thermoelectric performance through pressure modulation.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Asmaa Zaraq, Duncan H. Gregory, Brahim Orayech, Josu M. Igartua, Abdeslam El Bouari, James D. Eales, Paul A. Bingham, Thorsten M. Gesing
Summary: The double-perovskite series Sr-2(Fe1-xNix)TeO6 has been synthesized and studied for its crystal structure, optical characteristics, and magnetic properties. The results show correlations between crystal structures and physical properties, and the doped materials may exhibit spin glass or magnetically ordered states.
DALTON TRANSACTIONS
(2022)
Article
Materials Science, Multidisciplinary
Zhen Fan, Siobhan C. Stevenson, Alexander Mungall, Akira Nishio, Robert Szczesny, Yan-Gu Lin, Mark Chen, Wei-Ren Liu, Shigeto Okada, Duncan H. Gregory
Summary: This study achieved rapid reduction of GeO2 to Mg2Ge within 80 seconds via microwave-induced-metal-plasma method. The obtained Ge nanostructures with excellent porosity and coral-like structures exhibited remarkable mechanical and electrochemical properties as anodes in lithium-ion batteries.
MATERIALS ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Zhen Fan, Hsi-Nien Ho, Robert Szczesny, Wei-Ren Liu, Duncan H. Gregory
Summary: In this study, polycrystalline magnesium silicide (Mg2Si) and magnesium germanide (Mg2Ge) were successfully synthesized for the first time using the microwave-induced-metal-plasma (MIMP) approach. The ultrafast reaction kinetics in these preparations were attributed to the formation of reactive Mg plasma facilitated by the high-frequency electromagnetic field. Characterization techniques such as PXRD, SEM combined with EDX, and XPS confirmed the high purity of the products. The MIMP method not only enables the sustainable synthesis of Mg2X materials but also allows for the production of intermetallics and Zintl phases of prescribed morphology.
Article
Chemistry, Physical
Nicolas Flores-Gonzalez, Marti Lopez, Nicolo Minafra, Jan Bohnenberger, Francesc Vines, Svemir Rudic, Ingo Krossing, Wolfgang G. Zeier, Francesc Illas, Duncan H. Gregory
Summary: Establishing links between the structure and physical properties of solid-state ionic conductors is important for understanding their fundamental nature and accelerating the discovery of new materials. In this study, the interplay between lattice dynamics, electronic structure, and electrochemical properties in the isostructural family of lithium tetrahaloaluminates LiAlX4 (X = Cl, Br, I) was explored. Experimental methods and theoretical calculations were used to demonstrate that softer lattices provide lower activation energies for lithium ion migration. However, the relationship between polarisability and lithium ion conductivity is not straightforward and requires further investigation.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Zhen Fan, Gytis Baranovas, Holly A. Yu, Robert Szczesny, Wei-Ren Liu, Duncan H. Gregory
Summary: Phase-pure MgCu2 and high-purity Mg2Cu were synthesized rapidly from elemental powders using the microwave-induced metal plasma (MIMP) approach, followed by the formation of nanoporous Cu through de-alloying. The resulting nanoporous Cu electrodes showed reliable linear non-enzymatic sensing properties for glucose concentrations with high confidence levels. This study offers a facile and energy-efficient method for preparing functional nanoporous Cu with diverse structures, which could be applied to other metals as well.
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)