Article
Engineering, Electrical & Electronic
S. Bharathkumar, M. Sakar, S. Balakumar
Summary: In this study, BiFeO3 cubes were synthesized using egg white as a metal complex-forming agent. The synthesized cubes exhibited improved photocatalytic efficiency and stability compared to particles, making them suitable for durable photocatalytic degradation applications.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Materials Science, Multidisciplinary
S. Bharathkumar, M. Sakar, M. Navaneethan, J. Archana
Summary: One-dimensional fiber and belt-like structures of bismuth ferrite synthesized using electrospinning process showed enhanced optical absorption and improved photocatalytic degradation of pollutants under sunlight irradiation, potentially due to the buckling instability caused by high electrical pressure during the process. These belt-like structures are perceived as a kind of 1D-2D hierarchical structure to understand their photocatalytic mechanism.
Article
Engineering, Electrical & Electronic
Babita Tripathi, Sunil Chauhan, Manoj Kumar, Mohit Sahni, Pankaj Gupta, Prakash Chand Sati, Satyendra Singh, Daksh Agarwal, R. C. Singh
Summary: This article studies the structural, magnetic, optical, and photocatalytic properties of Bi1-xCaxFe1-xNixO3 multiferroics synthesized by sol-gel method. The results showed that calcium and nickel doping enhanced the magnetic and photocatalytic activity of the material.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Environmental Sciences
S. Bharathkumar, M. Sakar, J. Archana, M. Navaneethan, S. Balakumar
Summary: 3D particulate and 1D fiber structures of multiferroic bismuth ferrite were successfully integrated with 2D graphene oxide via ultrasonic-assisted chemical reduction, leading to effective interfacial engineering and improved photophysical properties. The developed hetero-morphological composites demonstrated enhanced stability and superior photocatalytic activity, with efficient charge separation and recombination resistance.
Article
Materials Science, Multidisciplinary
Akshay Gaur, Moolchand Sharma, Vishal Singh Chauhan, Rahul Vaish
Summary: Bismuth ferrite (BiFeO3) is a potential material for removing industrial dyes from water through the photocatalysis process. Glass-ceramic with a composition of Bi2O3-Fe2O3-BaO-B2O3 was fabricated to utilize the BiFeO3 phase. The sample heat-treated at 480 degrees C for 2 hours showed the maximum degradation of Methylene Blue (MB) dye of -69% in 300 minutes. The stability of the fabricated samples was checked using XRD pattern and SEM micrographs, and MB dye degradation was calculated using RGB values obtained from a smartphone app.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Polymer Science
Farid Orudzhev, Dinara Sobola, Shikhgasan Ramazanov, Klara Castkova, Nikola Papez, Daud A. Selimov, Magomed Abdurakhmanov, Abdulatip Shuaibov, Alina Rabadanova, Rashid Gulakhmedov, Vladimir Holcman
Summary: The synthesis of hybrid polymer-inorganic nanocomposite fiber membranes based on PVDF and BFO can effectively solve the problem of decomposing organic dyes with high efficiency by combining the advantages of photoactive piezoelectric nanomaterials and ferroelectric polymers, collecting mechanical vibrations and light energy.
Article
Materials Science, Ceramics
Muhammad Shahid, Sheraz Bashir, Adeel Afzal, Sami M. Ibn Shamsah, Akmal Jamil
Summary: This study demonstrated the synthesis of gadolinium-doped bismuth ferrite nanoparticles and their incorporation into reduced graphene oxide to form a nanocomposite. The nanocomposite exhibited superior photocatalytic activity compared to pure bismuth ferrite and gadolinium-doped bismuth ferrite, with enhanced transient photocurrent response. The improved photocatalytic properties were attributed to the synergistic effect of gadolinium doping and reduced graphene oxide inclusion.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Applied
Jafar Hussain Shah, Anum Shahid Malik, Ahmed Mahmoud Idris, Saadia Rasheed, Hongxian Han, Can Li
Summary: In this study, particulate BFO and Mn-doped BiFeO3 were synthesized by the sol-gel method, demonstrating that Mn doping significantly enhances the oxygen evolution reaction (OER) activity under visible light irradiation. The bandgap of Mn-doped BFO could be reduced by varying the Mn doping amount, leading to improved absorption of visible light and decreased activation energy for water oxidation. Density functional theory (DFT) calculations suggested that surface Fe species are the active sites for water oxidation, with Mn doping leading to the lowest over-potential measured in this study. The synergistic effect of bandgap narrowing in Mn-doped BFO increases the photocatalytic water oxidation activity by inhibiting charge recombination and reducing activation energy.
CHINESE JOURNAL OF CATALYSIS
(2021)
Article
Materials Science, Ceramics
Suyao Man, Xueyang Leng, Jinlong Bai, Sihan Kan, Yanan Cui, Jiaxin Wang, Lingling Xu
Summary: Doping with trivalent samarium (Sm3+) ions is effective for improving the photoelectrochemical performance of bismuth ferrite (BiFeO3) photocathodes for water reduction. The doped samples exhibited significantly enhanced water reduction activity, with the Bi0.95Sm0.05FeO3 composition showing a maximum photocurrent density of 0.1061 mA cm(-2) at 0 V vs. RHE in 0.5 M Na2SO4, which was 5.6 times higher than that of the pristine BiFeO3. The high performance can be attributed to the rational Sm3+ doping, which improves visible light absorption ability, facilitates charge carrier transport kinetics, and hinders the recombination of photogenerated carriers.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Multidisciplinary
Lisha Liu, Kun Xu, Qian Li, Yu Huang, Liang Shu, Yue-Yu-Shan Cheng, Suwei Zhang, Jin Luo, Jing Zhu, Jing-Feng Li
Summary: This study focuses on the characteristics of head-to-head or tail-to-tail charged domain walls (DWs) and finds that they have enhanced conductivity compared to neutral DWs and are thicker. It also discovers ultrathin non-Ising charged DWs in self-assembled BiFeO3 nanocrystals and proposes an analytical model to explain the phenomenon.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Multidisciplinary Sciences
N. Asefi, M. Hasheminiasari, S. M. Masoudpanah
Summary: Highly pure BiFeO3 (BFO) powders were prepared using the solution combustion synthesis method. The powders exhibited microstructural characteristics, morphology, optical properties, and thermal analysis. The calcination process produced a nearly pure BFO phase and the combusted powders showed high photocatalytic activity.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Anton Tuluk, Tadhg Mahon, Sybrand van der Zwaag, Pim Groen
Summary: The study found that combining ceramic particles with a non-conductive polymer can improve the poling efficiency and piezoelectric constant values of BiFeO3, leading to higher piezoelectric performance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Astita Dubey, Alexander Schmitz, Vladimir V. Shvartsman, Gerd Bacher, Doru C. Lupascu, Marianela Escobar Castillo
Summary: The study reported the enhanced photocatalytic efficiency of Ba-doped BiFe0.95Mn0.05O3 (BFM) nanoparticles compared to BiFeO3 (BFO) nanoparticles for organic pollutant degradation under visible light absorption. Co-doping Ba and Mn in BFO nanoparticles up to 5 mol% increased specific surface area and photocatalytic efficiency, with 1 mol% Ba doped BFM NPs showing the highest efficiency for factors like increased light absorption ability and charge carrier separation. Optimal dopant concentrations for photocatalytic applications were found to be 1 mol% Ba and 5 mol% Mn co-incorporation.
NANOSCALE ADVANCES
(2021)
Article
Materials Science, Ceramics
D. Giraldo, P. Almodovar, M. L. Lopez, E. Rodriguez-Aguado, E. Rodriguez-Castellon, A. Galdamez, I. Alvarez-Serrano
Summary: In this study, BiFeO3-NaNbO3 electroceramics synthesized by the ceramic method were investigated for their defined thermistor response and magnetic behavior. Compositional heterogeneity was found to lead to a cluster-type scenario in the samples, influencing the material's unique properties. Impedance spectroscopy data showed the development of a PTCR thermistor response near room temperature for certain compositions, making the x = 0.9 ceramic a promising multifunctional material for device applications.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Julia Izua Natasya Joaspizi, Nor Atilia Athira Zaahari, Suresh Sagadevan, Takaomi Kobayashi, Rohana Adnan, Saifullahi Shehu Imam, Mohd Amirul Ramlan
Summary: A photocatalyst composite film comprising cellulose acetate (CA)-supported bismuth ferrite (CA-BFO) was successfully fabricated using a phase-inversion technique. The composite showed high removal efficiency for a mixture of crystal violet (CV) and indigo carmine (IC) dyes under direct sunlight. The optimal pH for removing both types of dyes was found to be 6.0. A catalyst loading of 0.04 g/L of BiFeO3 distributed in the cellulose acetate membrane was able to degrade up to 100 ppm of mixed dyes and remained efficient over a wide pH range. The composite exhibited preferential adsorption to IC and higher photocatalytic affinity for CV, suggesting a synergistic mode of dye removal.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Thermodynamics
K. V. Yatish, B. R. Omkaresh, Veeranna R. Kattimani, H. S. Lalithamba, M. Sakar, R. Geetha Balakrishna
Summary: In this study, a solar energy-assisted reactor was developed for biodiesel production from Butea monosperma oil. The optimized conditions resulted in a high yield of Butea monosperma methyl ester (BMME) and the fuel properties of BMME were evaluated. Kinetic studies and thermodynamic analysis were conducted to understand the reaction mechanism and system characteristics. The sustainability indicators for BMME production were also evaluated using green chemistry metrics.
Article
Energy & Fuels
Vishnu Nair Gopalakrishnan, Jorge Becerra, Sakar Mohan, Jason M. E. Ahad, Francois Beland, Do Trong-On
Summary: Photocatalytic conversion of CO2 into beneficial raw chemicals has attracted much attention in recent years due to its potential for solving energy scarcity and global warming. However, the successful conversion of CO2 has remained a challenge. This study presents the synthesis of a hollow nanospherical keto-enamine TpPa-1 covalent organic framework (COF) integrated with single-atom Co-1T-MoS2, which significantly improves the CO2 photoreduction efficiency under visible light. The TpPa-1/Co-1T-MoS2 composite demonstrates an impressive selectivity of 93% and a high CO2 reduction efficiency.
Article
Engineering, Chemical
Karthikeyarajan Vinothkumar, Lavanya Chandra, Sakar Mohan, R. Geetha Balakrishna
Summary: Rapid urbanization and industrialization have made wastewater treatment more complex, especially due to the presence of nonsegregated organic and aqueous phases. Therefore, the technology to remove such mixed-phase pollutants is essential.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Chemistry, Physical
P. C. Nethravathi, M. V. Manjula, S. Devaraja, M. Sakar, D. Suresh
Summary: This study demonstrates the successful synthesis of Bi2O3, Ag-Bi2O3, and Ag-Bi2O3-rGO nanocomposites using a green combustion method with lemon as fuel. The Ag-Bi2O3-rGO composite showed improved photocatalytic and electrochemical properties, as well as potential antiradical activity.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
K. Sathiyamoorthy, A. Silambarasan, S. Bharathkumar, J. Archana, M. Navaneethan, S. Harish
Summary: A series of La1-xBixCoO3 perovskite nanostructures were synthesized via sol-gel route and their photocatalytic activity was evaluated using methylene blue (MB) and crystal violet (CV) as model pollutants.
MATERIALS RESEARCH BULLETIN
(2023)
Article
Energy & Fuels
Kanmani Moorthi, Johnbosco Yesuraj, Kibum Kim, Sakar Mohan
Summary: Mixed transition-metal oxides (MTMOs) have been widely studied as battery-type electrodes for their high electrical conductivity and structural stability. However, capacity degradation has limited their practical use. In this study, nitrogen-doped carbon dots (NCDs) integrated bismuth molybdenum oxide (Bi2MoO6; BMO) composites were successfully synthesized using a hydrothermal method. The composites showed rod-like morphology and exhibited enhanced specific capacity and cyclic stability. The results demonstrate that the NCD/BMO composite is a promising electrode material for supercapacitor applications.
Article
Chemistry, Physical
Vishnu Nair Gopalakrishnan, Toan-Anh Quach, Jorge Becerra, Sakar Mohan, Jason M. E. Ahad, Francois Beland, Trong-On Do
Summary: In recent decades, there has been growing interest in using visible light-driven photo catalysts to photoreduce carbon dioxide (CO2) into fuels. However, achieving efficient conversion of CO2 with high selectivity has remained a challenge. In this study, researchers developed a hybrid plasmonic covalent organic framework (COF) by combining a hollow porphyrin-based COF with a cobalt (Co) single atom decorated with plasmonic Au nanoparticles (COF-366-Co(H)/Au) to greatly enhance the photoreduction of CO2. This hybrid system showed excellent activity, producing CO with a selectivity of approximately 98% at a rate of up to 1200 mu mol g-1 h-1. The COF-366-Co(H)/Au also exhibited a notable AQY of 0.5% at 420 nm. This research demonstrates the potential of using hollow COFs in combination with single atoms and plasmonic nanoparticles for solar-to-fuel conversion.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Jesna K. George, K. Gayathri, Altaf Pasha, Sakar Mohan, R. Geetha Balakrishna
Summary: CsPbBr3 perovskite nanocrystals (CNCs) have emerged as promising candidates for optoelectronics. In this study, a stable MOF:CNC composite is formed by binding CNCs to the metal-organic framework MOF-5, providing more stability to both the MOFs and CNCs in a water medium. This water-resistant MOF:CNC probe is successfully validated for the detection of Cd2+ and exhibits high stability and photoefficiency.
ACS APPLIED NANO MATERIALS
(2023)
Article
Engineering, Environmental
Basir Maleki, Yatish Kalanakoppal Venkatesh, S. Siamak Ashraf Talesh, Hossein Esmaeili, Sakar Mohan, Geetha R. Balakrishna
Summary: Biomass-derived activated carbon (AC) with zinc oxide/nickel oxide (AC@ZnO/NiO) nanocatalyst was used for the production of biodiesel from dairy waste scum oil (DWSO). The reaction conditions were optimized using response surface methodology, and a maximum yield of 97.81% was achieved. The AC@ZnO/NiO catalyst showed good catalytic strength and could be reused for up to seven cycles. The kinetic study revealed a pseudo-first-order reaction with an activation energy of 50.88 kJ/mol. The thermodynamic analysis and fuel property evaluation showed positive results. Additionally, the influence of adding DWSOME to diesel on engine performance and emissions was found to be acceptable.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Chemistry, Multidisciplinary
Yatish Kalanakoppal Venkatesh, Mithun Prakash Ravikumar, Shwetharani Ramu, Chandan Hunsur Ravikumar, Sakar Mohan, R. Geetha Balakrishna
Summary: Biodiesel is a biodegradable, environmentally friendly, and renewable alternative to fossil fuels. This review explores the potential and challenges of homogeneous and heterogeneous catalysts in biodiesel production, with a focus on alkali analogues, alkaline earth metal oxides, and titania-based catalysts. The study finds that alkaline earth metal oxides, particularly lithium, calcium, and strontium, combined with titanium-based catalysts, exhibit superior catalytic activity due to their strong basicity.
Article
Thermodynamics
Joseph V. L. Ruatpuia, Gopinath Halder, Sakar Mohan, Baskar Gurunathan, Hui Li, Fang Chai, Sanjay Basumatary, Samuel Lalthazuala Rokhum
Summary: In this study, a novel, high surface area, and recyclable nano-size solid basic catalyst, CaO/ZnO derived from ZIF-8 MOF, was developed for the transesterification of soybean oil to biodiesel. The catalyst was characterized by various techniques to determine its composition, texture, and morphology. Kinetic and thermodynamic analyses were conducted, and response surface methodology was used to optimize the biodiesel yield. The catalyst exhibited good reusability and the estimated price of the produced biodiesel showed high commercial applicability.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Environmental Sciences
Mithun Prakash Ravikumar, Toan-Anh Quach, Bharagav Urupalli, Mamatha Kumari Murikinati, Shankar Muthukonda Venkatakrishnan, Trong-On Do, Sakar Mohan
Summary: This study synthesizes titanium oxynitride (TiOxNy) through controlled step-annealing of commercial titanium nitride (TiN) powders in normal ambience. The resulting TiOxNy system inherits the surface plasmonic resonance (SPR) property of TiN, as confirmed by various analysis techniques. The TiOxNy system exhibits desirable prerequisites for enhanced photocatalytic activity, such as reduced band gap energy and enhanced carrier-lifetime. Under solar light irradiation, the TiOxNy photocatalyst shows efficient degradation of rhodamine B dye and production of H-2. The TiOxNy system functions via a plasmonic Ohmic interface due to its amalgamated band structures.
ENVIRONMENTAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Mithun Prakash Ravikumar, Toan-Anh Quach, Bharagav Urupalli, Sanath Kumar, Yen-Pei Fu, Mamatha Kumari Murikinati, Shankar Muthukonda Venkatakrishnan, Trong-On Do, Sakar Mohan
Summary: In this study, a phase engineering strategy was explored to form a titanium oxynitride phase by nitriding a sol-gel-derived TiO2-based precursor in an ammonia gas environment. The physicochemical properties of the oxynitride phase were investigated and compared with the oxide and nitride phases. The oxynitride phase showed improved optical absorption, band gap energy, and photocatalytic performance compared to the oxide and nitride phases. The improved photocatalytic efficiency of the oxynitride phase was attributed to the synergy of oxide-nitride phases and the effective charge carrier transfer.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Mithun Prakash Ravikumar, Toan-Anh Quach, Bharagav Urupalli, Krishtappa Manjunatha, Mamatha Kumari Murikinati, Shankar Muthukonda Venkatakrishnan, Sheng Yun Wu, Trong-On Do, Sakar Mohan
Summary: In addition to metal oxides, materials with different anionic setups, such as metal chalcogenides and metal oxyhalides, have been widely studied for photocatalytic applications. The development of the oxynitride phase from conventional metal oxides has gained significant interest in photocatalysis research. This study focuses on the synthesis and characterization of an iron oxynitride system, demonstrating its superior photocatalytic properties compared to bare iron oxide and nitride systems.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Sahariya Priya, Adhigan Murali, Sakar Mohan, A. Lakshminarayanan, S. Sekar, R. Ramesh, M. Devendiran, Sung Soo Han
Summary: In this study, a phenoxyaniline-based macroinitiator was used for the first time to produce phenoxyaniline-block-poly(methyl methacrylate) composites through single electron transfer-living radical polymerization. The structural, thermal, surface and morphological properties of the prepared block copolymer nanocomposites were characterized using various techniques. The developed polymeric nanocomposites exhibited excellent anticancer properties and were successfully applied in the treatment of prostate adenocarcinoma and lung cancer.
NANOSCALE ADVANCES
(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)
