Article
Chemistry, Multidisciplinary
Shayan Louie, Yu Zhong, Si Tong Bao, Cedric Schaack, Alvaro Montoya, Zexin Jin, Nicholas M. Orchanian, Yang Liu, Wenrui Lei, Kelsey Harrison, James Hone, Alexander Angerhofer, Austin M. Evans, Colin P. Nuckolls
Summary: This study describes the synthesis of hexameric macrocyclic aniline (MA[6]) and its assembly into conductive organic wires. The electrical conductivity of ESMA[6] is high and responsive to acid-base conditions. The crystal structure of ES-MA[6] reveals the formation of trimeric units and nanotubes with regular channels, providing a potential route for synthetic nanotubes used in ion or small molecule transport. Spectroscopic analysis further demonstrates the interconversion between acidic and basic forms of the macrocycles and how charge carriers are formed through protonation, resulting in high electrical conductivity.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Guodong Liu, Zijian Wang, Jianing Wang, Hanbin Liu, Zhijian Li
Summary: This study investigates the combination of multicolor switchable polyaniline (PANI) electrode and 1-methyl-4,4'-bipyridyl iodide (MBI), which demonstrates superior optical properties in visible and near-infrared light modulation, as well as excellent electrochemical performances. This combination can be used to develop novel electrochromic devices for applications in smart packaging, smart labels, and flexible smart windows.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Xin Liu, Zhiyue Gao, Die Wang, Fengjie Yu, Baoshuai Du, Ivan Gitsov
Summary: Organic coatings are an effective way to improve the corrosion resistance of metals. This study presents a feasible method of preparing modified halloysite nanotubes and using them as multifunctional anticorrosion additives for environmentally friendly coatings. The incorporation of a corrosion inhibitor enhances the corrosion resistance and self-healing potential of the coatings.
Article
Engineering, Environmental
Hifza Nawaz, Muhammad Umar, Iqra Nawaz, Qasim Zia, Madeeha Tabassum, Humaira Razzaq, Hugh Gong, Xiubo Zhao, Xuqing Liu
Summary: The PVDF-PANI-TNT nanocomposite membranes were synthesized through phase inversion method and characterized by various analytical techniques, showing excellent photocatalytic activity and pollutant removal efficiency.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Haiming Lv, Shuo Yang, Chuan Li, Cuiping Han, Yongchao Tang, Xuejin Li, Wenlong Wang, Hongfei Li, Chunyi Zhi
Summary: This study presents a hybrid electrolyte based on Al(TOF)(3) and H3PO4 for aqueous aluminum ion batteries (AIBs) which exhibits superior stability and a record-breaking lifespan of 3850 cycles. The Al//PANI battery with this electrolyte shows high reversibility and stability during the charging/discharging process, and delivers a higher coloration efficiency of 84 cm(2) C-1 at a wavelength of 630 nm.
ENERGY STORAGE MATERIALS
(2021)
Article
Chemistry, Physical
Karan Gulati, Mateusz Czerwinski, Marta Michalska-Domanska, Ruben Del Olmo Martinez
Summary: This review discusses and details the influence of electrolyte aging in Ti anodization on the fabrication of controlled nanostructures, as well as its impact on the morphology, chemistry, stability, and application-specific performance of nanostructures.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Shahkar Falak, Bo Kyoung Shin, Do Sung Huh
Summary: In this study, PCL films with different structures were fabricated using simple solvent evaporation and the breath figure method, and PANI was coated on the film surface. The effect of chemical modification of PANI by sulfuric acid was also investigated. The results showed that the PANI coating and chemically modified PANI increased the conductivity and antibacterial activity of the films. Among them, the H2SO4-treated HCP film exhibited the best antibacterial activity.
Article
Materials Science, Multidisciplinary
Yanling Zhuang, Jianming Li, Mingye Zhu, Feiyang Li, Shujuan Liu, Qiang Zhao
Summary: In this study, a color/emission dual-switchable viologen derivative (Phen-vio) was designed and synthesized, which exhibited reversible and rich color and fluorescence color changes under electrical stimulus. Large-area and patterned electrochromic/electrofluorochromic devices were fabricated using Phen-vio as the active material, showing high color contrast ratio and consistent driving voltages regardless of the device area, suggesting great potential for applications in smart windows and tags.
ADVANCED MATERIALS TECHNOLOGIES
(2023)
Article
Chemistry, Multidisciplinary
Ermelinda Falletta, Anna Bruni, Marta Sartirana, Daria C. Boffito, Giuseppina Cerrato, Alessia Giordana, Ridha Djellabi, Erfan S. Khatibi, Claudia L. Bianchi
Summary: The development of innovative polyurethane-polyaniline/TiO2 modified floating materials for sorption and photodegradation of rhodamine B from water matrix under solar light irradiation was reported. The materials were fabricated with inexpensive and easy approaches and characterized properly. The photoactive floating PANI/TiO2 composites were found to be useful alternatives to common powder photocatalysts for the degradation of cationic dyes.
Article
Materials Science, Multidisciplinary
Xiangyun Gao, Yanhui Sun, Hui Li, Jie Dong, Zhipeng Huang, Chi Zhang
Summary: Electrochemical treatment can control the third-order nonlinear absorption of polyaniline, with the nonlinear absorption coefficient changing depending on the external voltage. The saturation absorption is attributed to Pauli blocking associated with polaron levels in the band gap.
Article
Chemistry, Multidisciplinary
Chengbin Kang, Zhicong Zhou, Jonathan E. Halpert, Abhishek K. Srivastava
Summary: This study proposes a new ink composition using oleylamine and hexylphosphonic acid ligands in combination with a liquid crystal monomer, forming a superior solution for an inkjet-printed color conversion layer. This work provides a simple technique for preparing high-quality perovskite pixels for high-performance displays.
Article
Materials Science, Multidisciplinary
Xiangyu Huang, Jie Chen, Hongjie Xie, Feixiang Zhao, Suna Fan, Yaopeng Zhang
Summary: This study presents inkjet-printed, flexible, and patterned electrochromic devices (ECDs) based on two-dimensional polyaniline (PANI) sheets. The fabricated PANI electrode shows high optical contrast, good coloration efficiency, and short coloration/bleaching time, while maintaining pseudocapacitance and mechanical flexibility. Additionally, the 2D lamellar PANI ink developed in this study allows for the creation of various designed patterns for electrochemically controlled, addressable electrochromic displays.
SCIENCE CHINA-MATERIALS
(2022)
Article
Chemistry, Physical
Kai Chen, Guodong Zhang, Liangping Xiao, Pengwei Li, Wanli Li, Qingchi Xu, Jun Xu
Summary: By synthesizing the VOH@PANI-PP multi-functional separator, this study effectively suppresses polysulfide shuttling and improves the cycling stability of Li-S batteries.
Article
Chemistry, Physical
P. Cheranmadevi, K. Saranya, P. Agilan, N. Rajendran
Summary: The corrosion resistance and high strength-to-density ratio of titanium and its alloys make them ideal materials for orthopedic implants. In this study, a combinational treatment of titanium was conducted to improve its corrosion resistance and promote osseointegration. The results showed that gadolinium-coated titanium nanotubes exhibited better corrosion resistance and enhanced cell viability compared to bare titanium. The findings suggest that gadolinium-coated titanium nanotubes have potential applications in the treatment of bone-related disorders.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Jifei Feng, Yi Luo, Xinyi Wang, Guofa Cai, Rong Cao
Summary: In this study, a large area patterned hydrogen-bonded organic framework (HOF) film was successfully fabricated on unmodified conductive substrates using an efficient and low-cost electrostatic spray deposition (ESD) method. By combining ESD with a template method, various patterns of HOF films, including deer and horse shapes, were easily produced. The obtained films showed excellent electrochromic performance and could change color quickly. Based on these films, a large-area patterned EC device was constructed, demonstrating practical potential application. The presented ESD method can be extended to other HOF materials, providing a feasible path for the construction of large-area patterned HOF films for optoelectronic applications.
Article
Chemistry, Multidisciplinary
Yongchao Tang, Xuejin Li, Haiming Lv, Wenlong Wang, Qi Yang, Chunyi Zhi, Hongfei Li
Summary: By enhancing the electrochemistry and compensating for the carrier-hosting potential, researchers have successfully achieved high-energy Mg2+/Na+ hybrid batteries, significantly increasing the reversible capacity to over 1.75 times that of conventional aqueous batteries. Mechanism studies have revealed an unusual phase transformation of FVO and the pseudocapacitive (de)intercalation chemistry of MVCP.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Xuejin Li, Yongchao Tang, Jiaxiong Zhu, Haiming Lv, Yan Xu, Wenlong Wang, Chunyi Zhi, Hongfei Li
Summary: This study successfully demonstrates a stable aqueous fluoride-ion battery with superior cycling stability and high rate capability through rational design, paving the way for a more practical fluoride-ion storage system.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Donghong Wang, Haiming Lv, Tanveer Hussain, Qi Yang, Guojin Liang, Yuwei Zhao, Longtao Ma, Qing Li, Hongfei Li, Binbin Dong, Thanayut Kaewmaraya, Chunyi Zhi
Summary: The study focused on addressing the poor rate capability and limited cycle life issues of aqueous Al-ion batteries by designing a defective manganese hexacyanoferrate (MnFe-PBA) cathode with enlarged ion transportation tunnels and activated metal sites, leading to improved rate capability and cycling stability. Furthermore, the use of nanofibrillated cellulose/polyacrylamide hydrogel electrolytes successfully prolonged the cycling life of the batteries to 200 cycles, demonstrating stable output under various deformations.
Article
Chemistry, Physical
Shuo Yang, Chuan Li, Haiming Lv, Xun Guo, Yanbo Wang, Cuiping Han, Chunyi Zhi, Hongfei Li
Summary: A new conversion-type cathode material for rechargeable aqueous aluminum-ion batteries, based on iodine embedded in N-doped microporous carbon polyhedrons derived from MOF, shows high reversibility, superior specific capacity, and high rate performance. The reversible reaction mechanism between I-2 and I- in the battery has been confirmed through experimental analysis. Additionally, a flexible Al-I-2 battery using solid-state hydrogel electrolyte demonstrates comparable performance to those using liquid electrolyte and is suitable for powering wearable devices.
Article
Chemistry, Physical
Xuejin Li, Yongchao Tang, Chuan Li, Haiming Lv, Haodong Fan, Wenlong Wang, Tonghui Cai, Yongpeng Cui, Wei Xing, Zifeng Yan, Chunyi Zhi, Hongfei Li
Summary: This study explores the use of an AlCl3/LiTFSI electrolyte for rechargeable aqueous aluminum-ion batteries (AAIBs). The addition of an appropriate concentration of LiTFSI effectively inhibits hydrogen evolution and corrosion of Al anodes. The full AAIB, composed of a vanadium potassium cathode and Al anode, exhibits high capacity, superior rate capability, and outstanding cycling stability in this electrolyte. The soft-packed AAIB also shows good cycling stability and desirable flexibility. The findings of this study may contribute to the development of rechargeable aluminum-ion batteries with aqueous electrolytes.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Review
Chemistry, Multidisciplinary
Shuo Yang, Xun Guo, Haiming Lv, Cuiping Han, Ao Chen, Zijie Tang, Xinliang Li, Chunyi Zhi, Hongfei Li
Summary: This review provides a comprehensive overview of the fundamental chemistry of rechargeable iodine batteries (RIBs), discussing their physicochemical properties, conversion mechanism, and existing issues. It further refines optimization strategies for high-performance RIBs and compares the pros and cons of various RIBs. Ultimately, remaining challenges and perspectives for the construction of next-generation RIBs are concluded.
Article
Chemistry, Multidisciplinary
Shuo Yang, Haiming Lv, Yanbo Wang, Xun Guo, Lingzhi Zhao, Hongfei Li, Chunyi Zhi
Summary: This study proposes a crystal-facet engineering approach to improve the performance of MOF-based electrodes for rechargeable batteries. The authors found that thermally modifying the MOF can regulate the dominant exposed facet, leading to enhanced electrochemical performance. Density functional theory calculations also support the impact of regulated exposed facets on the battery performance.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Yilun Lin, Huilin Cui, Chao Liu, Ran Li, Shipeng Wang, Guangmeng Qu, Zhiquan Wei, Yihan Yang, Yaxin Wang, Zijie Tang, Hongfei Li, Haiyan Zhang, Chunyi Zhi, Haiming Lv
Summary: This study reports a covalent organic framework containing pyrazine (C=N) and phenylimino (-NH-) groups (HPP-COF) as a long-cycle and high-rate anode for both acidic and alkaline batteries. The HPP-COF shows improved acid-alkaline co-tolerance due to its robust covalent linkage and hydrogen bond network. The hydrogen bond network also promotes the rapid transport of H+/OH- ions, leading to a superior capacity and cycle stability of HPP-COF.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Chuan Li, Shuo Yang, Ying Guo, Haiming Lv, Pei Li, Xiaofang Bai, Xuejin Li, Chunyi Zhi, Hongfei Li
Summary: In this study, a poly(acrylamide(3)-co-(sulfobetaine methacrylate)(1))@polyacrylamide (P(A(3)-co-S-1)@PAM) hydrogel electrolyte with a dual crosslinking network (DN) was successfully fabricated. This hydrogel electrolyte showed excellent tolerance to different pHs and improved mechanical durability for energy storage devices.
Article
Chemistry, Multidisciplinary
Xuejin Li, Yongchao Tang, Cuiping Han, Zhiquan Wei, Haodong Fan, Haiming Lv, Tonghui Cai, Yongpeng Cui, Wei Xing, Zifeng Yan, Chunyi Zhi, Hongfei Li
Summary: In this study, an aqueous Sn-Mn full battery was established in acidic electrolytes by utilizing a Sn anode with high deposition efficiency and stability, and a stabilized Mn2+/Mn3+ redox couple in the cathode. The reversible conversion between Mn2+ and Mn3+ ions was achieved on the graphite surface through the help of H+ and a complexing agent. A protective layer formed by a pyrophosphate ligand effectively prevented Mn3+ from disproportionation and uncontrolled diffusion. The designed battery demonstrated excellent electrochemical performance, including a large capacity, high discharge plateau voltage, excellent rate capability, and superior cycling stability.
Article
Chemistry, Multidisciplinary
Shipeng Wang, Yuwei Zhao, Haiming Lv, Xuanhe Hu, Jun He, Chunyi Zhi, Hongfei Li
Summary: The power density and lifespan of Zn metal batteries are limited by uncontrolled zinc electrodeposition and side reactions. This study demonstrates the multi-level interface adjustment effect using low-concentration redox-electrolyte (0.2 m KI) additives. Iodide ions adsorbed on the zinc surface suppress water-induced side reactions, enhance zinc deposition kinetics, and guide the deposition of zinc ions. As a result, the Zn||Zn symmetric cell shows excellent cycling stability (>3000 h at 1 mA cm(-2), 1 mAh cm(-2)) with uniform deposition and fast reaction kinetics. The Zn||AC cell, combined with an activated carbon cathode, also demonstrates high-capacity retention (81.64% after 2000 cycles at 4 A g(-1)).
Article
Multidisciplinary Sciences
Haiming Lv, Zhiquan Wei, Cuiping Han, Xiaolong Yang, Zijie Tang, Yantu Zhang, Chunyi Zhi, Hongfei Li
Summary: Aqueous iron batteries have the potential for large-scale energy storage due to their safety and low cost. However, their long-term cycling stability is inadequate. In this study, cross-linked polyaniline (C-PANI) is proposed as a positive electrode active material to improve the electronical conductivity and electrochemical stability. The C-PANI, when combined with Fe metal negative electrode and Fe(TOF)(2) electrolyte, shows good specific capacity and discharge voltage after a high number of cycles. Mechanistic studies suggest that the bonding of Fe2+ ions to TOF- anions plays a role in the storage of charge.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Yuwei Zhao, Hu Hong, Leheng Zhong, Jiaxiong Zhu, Yue Hou, Shipeng Wang, Haiming Lv, Peng Liang, Ying Guo, Donghong Wang, Pei Li, Yaxin Wang, Qing Li, Shan Cecilia Cao, Hongfei Li, Chunyi Zhi
Summary: Due to their high abundance, low cost, and high safety, zinc-based batteries offer promising opportunities for large-scale energy storage. However, the stability, lifetime, and reversibility of these batteries are affected by passivation and dendrite growth on the zinc anode. In this study, the researchers introduced an iodine post-functionalized zeolitic imidazolate framework-90 (ZIF-90-I) additive to address this challenge. The additive was able to regulate the formation of the solid-electrolyte interphase (SEI) and promote uniform deposition of Zn2+ ions, while the I-3(-)/I- redox reaction rejuvenated the dead Zn and inhibited dendrite growth. The results showed improved cycling stability and high utilization rate of the zinc anode.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Chunfang Wang, Ran Li, Yuchao Zhu, Yaxin Wang, Yilun Lin, Leheng Zhong, Hui Chen, Zijie Tang, Hongfei Li, Feng Liu, Chunyi Zhi, Haiming Lv
Summary: This study utilizes a covalent organic framework as the anode material for aqueous calcium-ion batteries, showing an ultralow potential plateau, exceptional rate performance, prolonged cycling, and maintained capacity. This research holds significance in advancing organic anodes to achieve higher battery voltages and mitigate the limitations of calcium-ion batteries.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Haiming Lv, Shuo Yang, Chuan Li, Cuiping Han, Yongchao Tang, Xuejin Li, Wenlong Wang, Hongfei Li, Chunyi Zhi
Summary: This study presents a hybrid electrolyte based on Al(TOF)(3) and H3PO4 for aqueous aluminum ion batteries (AIBs) which exhibits superior stability and a record-breaking lifespan of 3850 cycles. The Al//PANI battery with this electrolyte shows high reversibility and stability during the charging/discharging process, and delivers a higher coloration efficiency of 84 cm(2) C-1 at a wavelength of 630 nm.
ENERGY STORAGE MATERIALS
(2021)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
