Article
Engineering, Environmental
Md Sohel Rana, Marcelo I. Guzman
Summary: The study investigates the reaction of nitrate radicals with substituted catechols, which are emitted to the atmosphere during wildfires and combustion processes. The results show that nitrocatechols, major constituents of atmospheric brown carbon, are rapidly generated through two proposed mechanisms. The findings explain the interfacial production of chromophoric nitrocatechols and their impact on the absorption properties of tropospheric particles, affecting the Earth's radiative forcing.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Environmental
Steven J. Campbell, Battist Utinger, Alexandre Barth, Suzanne E. Paulson, Markus Kalberer
Summary: The oxidative potential (OP) of particulate matter is a key metric for assessing atmospheric particle toxicity. This study used two novel online instruments to quantify particle OP and investigated the influence of Fe(II) and Cu(II) on the OP of secondary organic aerosol (SOA). Synergistic and antagonistic interactions were observed when Fe(II) and Cu(II) were mixed with representative biogenic and anthropogenic SOA. A kinetic model revealed important reactions among SOA components, transition metals, and ascorbate, impacting the OP.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Steven J. Campbell, Battist Utinger, Alexandre Barth, Suzanne E. Paulson, Markus Kalberer
Summary: This study presents a novel approach using two online instruments to quantitatively measure the oxidative potential (OP) of particulate matter. It investigates the influence of Fe(II) and Cu(II) on secondary organic aerosol (SOA) and reveals a range of synergistic and antagonistic interactions. The results provide new insights into the influence of metal and SOA interactions on particle OP.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Yi Zhu, Dongya Li, Shiyu Zuo, Zeyu Guan, Su Ding, Dongsheng Xia, Xiaohu Li
Summary: The novel Cu2O/CuO catalyst shows excellent catalytic activity and high stability in degrading organic pollutants through free radical/non-radical pathways, with active species of free radicals and non-free radicals. The system exhibits a great potential for degrading contaminants to less toxic or harmless small molecules, as demonstrated by UPLC/MS results and toxicity assessment data.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Environmental Sciences
D. Alba-Elena, M. T. Baeza-Romero, M. Antinolo, Eva Maria Espildora-Garcia, Edelmira Valero
Summary: A new iodometric-spectrophotometric method has been developed for the quantification of trace peroxides in laboratory-generated samples, based on microwave acceleration of the reaction with potassium iodide. The method has a linear range of at least 1-35 μM, with a detection limit of 1 μM without degasification and 0.25 μM with degasification. It is less time-consuming, applicable in the presence of oxygen, and has no sensitivity differences between different peroxide types. The method has been successfully applied to determine peroxides in secondary organic aerosols generated in the laboratory.
ATMOSPHERIC ENVIRONMENT
(2023)
Article
Environmental Sciences
Feng Cheng, Peng Zhou, Yang Liu, Xiaowei Huo, Jian Zhang, Yue Yuan, Heng Zhang, Bo Lai, Yongli Zhang
Summary: The study investigates the enhancement of graphene oxide (GO) on Fe(III)-mediated Fenton and photo-Fenton oxidation, confirming hydroxyl radicals (OH) as the major oxidant for chloramphenicol degradation. The formation of GO-Fe(III) complexes, the electron transfer from GO to Fe(III), and the promotion of H2O2-induced Fe(III) reduction by GO are discussed. The GO/Fe(III)/H2O2 system shows great potential for environmental remediation, with or without visible light irradiation.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Engineering, Environmental
Yangtao Wu, Weiqiu Zhang, Lingjun Bu, Shumin Zhu, Jue Wang, Shiqing Zhou
Summary: UV photolysis of CDMA activated HO center dot to degrade BPA, with inhibitive effects from pH, HCO3-/CO32-, Cl-, and natural organic matter. UV photolysis reduced NDMA formation at pH 8.0 but increased TCNM formation at pH 7.0 and 8.0, highlighting concerns about the formation of organic chloramines.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Physical
Jinping Liang, Ling Fu, Kai Gao, Xiaoguang Duan
Summary: This study investigates the activation mechanism of peroxymonosulfate (PMS) through the synthesis of Co-K-N-O-C composites. The results show that the low-valent cobalt species, especially Co0, greatly enhance the generation of radicals, thereby improving the degradation efficiency of recalcitrant contaminants.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Engineering, Environmental
He Ren, Jane A. Sedlak, Matthew J. Elrod
Summary: This study developed a method to study the reaction of sulfate radicals with various olefinic precursors, accurately controlling dissolved oxygen levels and using isomer-specific NMR to definitively identify and quantify the reaction products. Specific mechanisms for each precursor and a generalized mechanism for predicting sulfate radical reaction pathways were established, showing that carbon backbone fragmentation pathways dominate the mechanism. The observed organosulfate products in field observations of SOA indicate the potential relevance of this mechanism in the atmosphere.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2021)
Article
Multidisciplinary Sciences
Jiawei Zhang, Gangming Zeng, Shangqian Zhu, Haolan Tao, Yue Pan, Wenchuan Lai, Jun Bao, Cheng Lian, Dong Su, Minhua Shao, Hongwen Huang
Summary: Researchers have achieved selective and productive electroreduction of carbon dioxide into ethanol using a porous CuO catalyst. They found a volcano-shaped relationship between ethanol selectivity and nanocavity size of the catalyst and identified the confinement effect associated with the nanocavity size as a key factor in enhancing ethanol selectivity.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Engineering, Environmental
Yang Yang, Qi Zhang, Baiyang Chen, Liangchen Long, Guan Zhang
Summary: This study found that increasing dissolved oxygen in water enhances the production of oxidizing species, while increasing pH decreases the oxidative capacity of the UV/VUV/I- process. The treatability of the UV/VUV/I- process depends on the pH value, with better performance observed at pH 11.0 and below.
FRONTIERS OF ENVIRONMENTAL SCIENCE & ENGINEERING
(2022)
Article
Chemistry, Physical
Zhipeng Luo, Mingtao Liu, Diyong Tang, Yao Xu, Honghua Ran, Jing He, Ke Chen, Jie Sun
Summary: In this study, a facile self-sacrificial template route was used to synthesize heteroatom-doped porous biochar, which exhibited enhanced electrocatalytic activity for H2O2 production and Fe2+ regeneration. The biochar cathode achieved high H2O2 selectivity, efficient H2O2 activation rate, and effective degradation of various organic contaminants within a short time. The electro-Fenton system showed good stability and versatile applicability for organic pollutants remediation in different surface water matrices.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Multidisciplinary
Md. Sohel Rana, Marcelo I. Guzman
Summary: This study investigates the oxidative processing of phenolic aldehydes from biomass burning emissions in the atmosphere. The results show that the reactivity of the oxidation reactions increases with higher relative humidity. The findings provide valuable information for understanding the kinetics of oxidation reactions in atmospheric chemistry.
ACS EARTH AND SPACE CHEMISTRY
(2022)
Article
Engineering, Environmental
Yunhui Zhang, Yun Wang, Yong Li, Zuxin Xu, Huaizheng Li, Wei Jin
Summary: Dissolved effluent organic matter (EfOM) is crucial for the ozonation decomposition and hydroxyl radical (& BULL;OH) scavenging in the degradation of trace organic contaminants (TrOCs) in municipal secondary effluents. This study isolated EfOM into six fractions to understand their reaction kinetics and roles in & BULL;OH chain reactions. The results showed that hydrophilic fractions (HiF) had higher reaction rate constants (kEfOM-& BULL;OH) than hydrophobic fractions (HoF), with hydrophilic base (HiB) being the most important fraction in ozone decomposition and & BULL;OH reaction.
Article
Engineering, Environmental
Jinxing Zhang, Zhaoyu Zhou, Zhiyuan Feng, Hongying Zhao, Guohua Zhao
Summary: This study proposes a strategy for the fast generation of hydroxyl radicals through rerouting the electron transfer pathway. By modifying F-TiO2, the electrocatalytic reduction of oxygen to H2O2 with high selectivity is achieved, and an additional channel facilitates the generation of hydroxyl radicals. The proposed method shows fast kinetics for removing organic pollutants in wastewater treatment, and the degradation efficiency is less affected by the water source and pH value.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Chemical
Vahe J. Baboomian, Quanfu He, Julia Montoya-Aguilera, Nabila Ali, Lauren T. Fleming, Peng Lin, Alexander Laskin, Julia Laskin, Yinon Rudich, Sergey A. Nizkorodov
Summary: Secondary organic aerosol (SOA) from indole was produced under different relative humidity and with different oxidants. Chromophoric compounds, including nitroindole, were identified in the SOA. The density of the SOA particles generated in an oxidation flow reactor varied with the oxidant used. The refractive indices of the indole SOA were comparable to humic-like substances and had a strong dependence on relative humidity.
AEROSOL SCIENCE AND TECHNOLOGY
(2023)
Correction
Chemistry, Physical
Eva R. Kjaergaard, Emil Vogt, Kristian H. Moller, Ole John Nielsen, Henrik G. Kjaergaard
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Jing Chen, Joseph R. Lane, Henrik G. Kjaergaard
Summary: The atmospheric oxidation of dimethyl sulfide and other emitted sulfur species can lead to the formation of different sulfur-centered radicals. We performed computational investigations on the reactions of these radicals with peroxy radicals. The results show that certain sulfur-centered radicals form short-lived peroxide intermediates, while others form stable peroxide products. The valence of the sulfur atom plays a crucial role in determining the reaction outcome.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Jeppe Langeland, Nanna Falk Christensen, Emil Vogt, Christina Kjaer, Thomas Toft Lindkvist, Steen Brondsted Nielsen, Henrik G. Kjaergaard
Summary: This paper investigates the bioluminescence of fireflies, click beetles, and railroadworms, specifically focusing on the role of oxyluciferin in color variation. Experimental and theoretical study of the absorption and emission spectra of 5,5-dimethyl-oxyluciferin anion (keto form) at different temperatures is presented, along with fluorescence-based lifetime measurements. The results reveal the involvement of various vibrational modes in Franck-Condon progressions, with reduced spectral congestion at lower temperatures.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Jie Zhang, Manish Shrivastava, Alla Zelenyuk, Rahul A. Zaveri, Jason D. Surratt, Matthieu Riva, David Bell, Marianne Glasius
Summary: This study investigates the key parameters governing the formation of isoprene epoxydiol-derived secondary organic aerosol (IEPOX-SOA). The results show that reducing the reaction rate constants of 2-methyltetrol (tetrol) can bring the model predictions in agreement with experimental measurements of IEPOX-SOA under acidified aerosol conditions. Additionally, both the organosulfate (OS) and tetrol reaction rate constants need to be reduced for nonacidified aerosols to match the chamber observations. The study also reveals that the aerosol acidity significantly affects the oligomerization rate of tetrols.
ACS EARTH AND SPACE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Tran B. Nguyen, Kelvin H. Bates, Reina S. Buenconsejo, Sophia M. Charan, Eric E. Cavanna, David R. Cocker III, Douglas A. Day, Marla P. DeVault, Neil M. Donahue, Zachary Finewax, Luke F. Habib, Anne V. Handschy, Lea Hildebrandt Ruiz, Chung-Yi S. Hou, Jose L. Jimenez, Taekyu Joo, Alexandra L. Klodt, Weimeng Kong, Chen Le, Catherine G. Masoud, Matthew S. Mayernik, Nga L. Ng, Eric J. Nienhouse, Sergey A. Nizkorodov, John J. Orlando, Jeroen J. Post, Patrick O. Sturm, Bridget L. Thrasher, Geoffrey S. Tyndall, John H. Seinfeld, Steven J. Worley, Xuan Zhang, Paul J. Ziemann
Summary: ICARUS is an open access infrastructure for storing, sharing, discovering, and utilizing atmospheric chamber data. It supports the evaluation and revision of atmospheric model mechanisms, intercomparison of data and models, and the development of new model frameworks.
ACS EARTH AND SPACE CHEMISTRY
(2023)
Article
Engineering, Chemical
Ana C. Morales, Brianna N. Peterson, Steven A. L. Sharpe, Shelby M. Huston, Jay M. Tomlin, Felipe A. Rivera-Adorno, Ryan C. Moffet, Alla Zelenyuk, Alexander Laskin
Summary: This study presents an in-depth characterization of highly viscous particles using multiple single-particle measurement techniques. The results obtained through oil immersion flow microscopy, scanning electron microscopy, soft X-ray spectro-microscopy, and high-throughput single particle mass spectrometry provide comprehensive descriptions of the particles, including their size distributions, composition, and morphological metrics. This study is of great importance for the advancement of aerosol measurement science and technology.
AEROSOL SCIENCE AND TECHNOLOGY
(2023)
Article
Engineering, Chemical
Felipe A. Rivera-Adorno, Jay M. Tomlin, Matthew Fraund, Erick Morgan, Mikhail Laskin, Ryan Moffet, Alexander Laskin
Summary: Airborne particles have various impacts on climate, air visibility, atmospheric chemistry, and human health. Recent studies have discovered highly viscous organic aerosol particles. The viscosity of these particles affects heterogeneous chemistry, gas-particle partitioning, and ice nucleation. This research demonstrates a method to estimate the viscosity of particles using scanning electron microscopy and scanning transmission X-ray microscopy. The height-to-width ratios of deposited particles can be used to assess their viscosity.
AEROSOL SCIENCE AND TECHNOLOGY
(2023)
Article
Engineering, Chemical
Emily R. Halpern, Christopher P. West, Anusha P. S. Hettiyadura, Andrew Darmody, Jillian K. Johnson, Kuangnan Qian, Alexander Laskin
Summary: This study utilizes aerosol technology to characterize the components of bio-oil and identifies different types of compounds in various volatile fractions, which can guide the upgrading process of bio-oil.
AEROSOL SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Emil Vogt, Iren Simko, Attila G. Csaszar, Henrik G. Kjaergaard
Summary: This study calculated the intramolecular vibrational transition wavenumbers and intensities in different vibrational regions of the water dimer's spectrum, and computed the rotational-vibrational spectrum in the Delta v(OH) = 2 region. The calculated spectrum was obtained by combining results from a full-dimensional vibrational model and a reduced-dimensional vibrational-rotational-tunneling model. The Delta v(OH) = 2 spectral region is characterized by multiple vibrational-rotational-tunneling sub-bands, which contribute to the rich features in the spectrum.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Eva Kjaergaard, Kristian Moller, Henrik Kjaergaard
Summary: This study uses advanced theoretical methods to investigate the oxidation pathways and reaction rates of hydroperoxy amides in the atmosphere, and identifies the oxidation products of hydroperoxy amides under specific conditions. The results indicate that hydroperoxy amides predominantly form imides and have slow reaction rates due to structural constraints.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Eva R. Kjaergaard, Kristian H. Moller, Torsten Berndt, Henrik G. Kjaergaard
Summary: Autoxidation is an important oxidation pathway in the atmosphere for various compounds, including isoprene and monoterpenes. This study reveals that autoxidation also plays a dominant role in the oxidation of nonhydrocarbons like dimethyl sulfide and trimethylamine. The research focuses on the autoxidation of triethylamine and provides theoretical calculations and experimental evidence to support the efficient autoxidation in this compound.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Meteorology & Atmospheric Sciences
Katherine R. Travis, James. H. Crawford, Amber J. Soja, Emily M. Gargulinski, Richard H. Moore, Elizabeth B. Wiggins, Glenn S. Diskin, Joshua P. Digangi, John B. Nowak, Hannah Halliday, Robert J. Yokelson, Jessica L. Mccarty, Isobel J. Simpson, Donald R. Blake, Simone Meinardi, Rebecca S. Hornbrook, Eric C. Apel, Alan J. Hills, Carsten Warneke, Matthew M. Coggon, Andrew W. Rollins, Jessica B. Gilman, Caroline C. Womack, Michael A. Robinson, Joseph M. Katich, Jeff Peischl, Georgios I. Gkatzelis, Ilann Bourgeois, Pamela S. Rickly, Aaron Lamplugh, Jack E. Dibb, Jose L. Jimenez, Pedro Campuzano-Jost, Douglas A. Day, Hongyu Guo, Demetrios Pagonis, Paul O. Wennberg, John D. Crounse, Lu Xu, Thomas F. Hanisco, Glenn M. Wolfe, Jin Liao, Jason M. St. Clair, Benjamin A. Nault, Alan Fried, Anne E. Perring
Summary: Agricultural and prescribed burning activities emit significant amounts of trace gases and aerosols. This study presents emission factors and ratios based on the FIREX-AQ campaign in the eastern United States in 2019, focusing on burning of crop residues and prescribed fire fuels. The study shows the importance of specific factors such as combustion efficiency, fuel type, and meteorological conditions in determining the emissions.
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES
(2023)
Article
Environmental Sciences
Katherine S. S. Hopstock, Alexandra L. L. Klodt, Qiaorong Xie, Michael A. A. Alvarado, Alexander Laskin, Sergey A. A. Nizkorodov
Summary: Emissions from large-scale fires, particularly at the wildland-urban interface, significantly contribute to the presence of primary organic aerosols in the atmosphere. This study aims to understand the changes in light absorbing properties of particulate matter from wildland-urban interface fires after direct photolytic aging. Ten flammable urban materials commonly found in urban fires were pyrolyzed, and the resulting smoke particles were exposed to simulated solar radiation. The results show that WUI fires efficiently produce brown carbon that becomes increasingly light-absorbing in sunlight.
ENVIRONMENTAL SCIENCE-ATMOSPHERES
(2023)
Article
Environmental Sciences
Alexandra L. Klodt, Paige K. Aiona, Amanda C. MacMillan, Hyun Ji (Julie) Lee, Xiaolu Zhang, Taylor Helgestad, Gordon A. Novak, Peng Lin, Julia Laskin, Alexander Laskin, Timothy H. Bertram, Christopher D. Cappa, Sergey A. Nizkorodov
Summary: Light-absorbing organic aerosols, known as brown carbon (BrC), have significant climate effects. This study investigates the influence of NH3, NOx, and RH on the optical and molecular properties of naphthalene (NAP) photooxidation SOAs. The results show that RH has the greatest impact on the composition and optical properties, while NOx and NH3 affect the SOA in different ways. NH3 has a minor effect on the absorption coefficient, while NOx and RH control both molecular composition and optical properties.
ENVIRONMENTAL SCIENCE-ATMOSPHERES
(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)