Article
Chemistry, Physical
Renan A. P. Ribeiro, Marisa C. Oliveira, Elson Longo, Sergio R. de Lazaro, R. Nikam, P. S. Goyal, S. Radha, S. Rayaprol
Summary: Experimental analysis and first-principles calculations were conducted to investigate the magnetic ground state of Fe-doped Mn2O3. Results showed that magnetic properties can be tuned with Fe concentration, as indicated by changes in hysteresis, magnetization, and magnetic susceptibility. The agreement between experimental and computational approaches further confirmed the impact of Fe doping on magnetic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Shradha Roy, Mritunjoy Prasad Ghosh, Samrat Mukherjee
Summary: This study establishes the proper correlation among the microstructural, optical, and magnetic responses of Fe-doped ZnO nanoparticles. By introducing Fe ions, a decent ferromagnetic signature was observed in non-magnetic ZnO nanoparticles at room temperature, demonstrating the successful manipulation of their magnetic properties.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Materials Science, Ceramics
M. Rocha, Francisca P. Araujo, S. Castro-Lopes, Idglan S. de Lima, Edson Cavalcanti Silva-Filho, Josy Anteveli Osajima, Carla S. Oliveira, Bartolomeu C. Viana, Luciano C. Almeida, Y. Guerra, R. Pena-Garcia
Summary: In this study, the influence of Fe and Pr addition on the structural, optical, and antibacterial properties of spherical ZnO nanoparticles synthesized via sol gel method was investigated. The lattice constants values increased while the average crystallite size decreased with varying Pr concentration. Raman and FTIR spectroscopies confirmed the single-phase formation of ZnO and the presence of oxygen vacancies. The samples exhibited agglomerated spherical morphology and the textural properties were affected by the inclusion of Fe. The synthesized materials showed promising antimicrobial activity against Escherichia coli and Staphylococcus aureus due to nanomaterial-bacteria interactions.
CERAMICS INTERNATIONAL
(2023)
Article
Chemistry, Physical
K. Chandramouli, B. Suryanarayana, T. Anil Babu, Vemuri Raghavendra, D. Parajuli, N. Murali, Venkaiah Malapati, Tulu Wegayehu Mammo, P. S. Shanmukhi, Umesh Reddy Gudla
Summary: The structure, particle size, and antibiotic nature of synthesized ZnO nanoparticles were studied using XRD, TEM, and FTIR, revealing spherical particles with a single wurtzite hexagonal crystal structure. The correlation between defect and antibiotic properties of ZnO was identified.
SURFACES AND INTERFACES
(2021)
Article
Environmental Sciences
Jinglu Hu, Wei Ma, Yuzhen Pan, Zihong Cheng, Shuangen Yu, Jian Gao, Zhe Zhang, Chunxiang Wan, Chenxi Qiu
Summary: This study investigates the tribo-catalysis ability of zinc oxide (ZnO) in controlling T-EPS in water, with Fe doping improving charge separation and catalytic efficiency. Experimental and theoretical calculations were used to characterize the catalytic process, showing the potential of Fe-ZnO in microbial inhibition in water.
Article
Chemistry, Physical
Achraf Sadier, Sebastien Paul, Eric Marceau, Robert Wojcieszak
Summary: This study investigates the performance differences between Ni-Fe/SiO2 and Ni/SiO2 catalysts in the aqueous phase hydrogenation of maltose through kinetic studies. Under the experimental conditions, Ni-Fe/SiO2 exhibits higher activity, selectivity, and stability compared to Ni/SiO2, indicating a stronger interaction with maltose and significant coverage differences on the bimetallic surface.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Engineering, Environmental
Zhuo-Yu Li, Yu-Lei Liu, Pei-Nan He, Xin Zhang, Lu Wang, Hai-Teng Gu, Hao-Chen Zhang, Jun Ma
Summary: Hydroxylamine has been found to transform Fe(IV) into radicals (SO4 center dot- and center dot OH) during potential pollutants oxidation in Fe(II)/hydroxylamine/PDS system. Experimental results indicate that hydroxylamine promotes the production of SO4 center dot- significantly, while inhibiting the production of Fe(IV) as its concentration increases from 0.2 to 1.4 mM.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Physics, Applied
Gonzalo dos Santos, Robert Meyer, Romina Aparicio, Julien Tranchida, Eduardo M. Bringa, Herbert M. Urbassek
Summary: It has been shown that introducing variable magnetic moments can provide a better description of experimental data for the magnetization of small Fe nanoparticles. By dividing atoms into a surface-near shell and a core with bulk properties, adjustments to both the magnitude of the shell magnetic moment and the exchange interactions are necessary to fairly represent the experimental data.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Jiban Ghosh, Anwesha Sengupta, Prolay Halder, Swarupa Ojha, Goutam Kr Panda, Sanjib Bhattacharya
Summary: The development of glassy nanocomposites and the exploration of their microstructures and electrical conduction mechanism are of great importance. The presence of various nanophases and the decrease in nanocrystallite size with increased Fe content were observed. The increase in lattice strain due to Fe content resulted in an unstable system, favorable for electrical transport through polaron hopping. The study analyzed the electrical conductivity using different models and determined that both optical photon and acoustical phonon transitions contribute to the conduction process. A schematic model was proposed to explain the conduction mechanism in the glassy system.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
M. Cabrera-Baez, E. Padron-Hernandez, M. Joao Soares, F. E. P. Santos, Y. Guerra, R. Pena-Garcia
Summary: This study investigated the effects of Y3+ inclusion in Fe3+ doped ZnO nanoparticles, revealing changes in linewidth, resonance field, lattice strain, and spin Hamiltonian parameters. Y3+ inclusion was found to enhance structural defects, alter lattice strain, and affect the crystal structure of ZnO, providing insights for potential applications in spintronic devices.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Environmental Sciences
Pramod Jadhav, Zaied Bin Khalid, A. W. Zularisam, Santhana Krishnan, Mohd Nasrullah
Summary: The use of iron-based nanoparticles (Fe-NPs) is considered an effective approach to enhance methanogenesis and biogas yield in the anaerobic digestion (AD) process. Iron-based NPs can enhance microbial activity, minimize inhibition effects, and promote direct interspecies electron transfer, ultimately improving CH4 production rates in AD. Further studies are needed to explore effective and optimized NPs-based methods in the methanogenesis stage.
ENVIRONMENTAL RESEARCH
(2022)
Review
Plant Sciences
Zoltan Molnar, Wogene Solomon, Lamnganbi Mutum, Tibor Janda
Summary: One of the main constraints on agricultural productivity is the low availability of iron in the soil, which affects plant development and physiology. The concentration of iron accessible to plants and microbes in cultivated soil is limited, mainly due to the properties of the soil and the solubility of iron. Plants and soil microorganisms employ active strategies to enhance soil iron availability, such as acidification, chelation, and reduction. Understanding the dynamics of iron in the rhizosphere is crucial for improving plant growth and health.
Article
Chemistry, Physical
O. Volnianska
Summary: Copper-doped ZnO quantum dots were studied for their electronic structure, optical, and magnetic properties using the GGA+U approximation. Cu defect energy levels were found to be strongly localized, with atomic displacements and average bond lengths affecting the electronic properties of Cu. Ferromagnetic interaction between ions was observed for all configurations investigated, with an increase in ferromagnetism for positive charge defects due to strong hybridization of d(Cu) and p(O) states.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Stephan Muessig, Bjoern Kuttich, Florian Fidler, Daniel Haddad, Susanne Wintzheimer, Tobias Kraus, Karl Mandel
Summary: Controlled agglomeration of superparamagnetic iron oxide nanoparticles can rapidly switch their magnetic properties. Changes in temperature induced reversible switching of magnetic properties, with non-linear correlation between magnetization amplitude and agglomeration degree indicating the impact of agglomerates' size distribution on magnetic properties.
NANOSCALE ADVANCES
(2021)
Article
Chemistry, Physical
Gharam A. Alharshan, Abdelaziz Mohamed Aboraia, Mohamed A. M. Uosif, Ibrahim M. Sharaf, Essam R. Shaaban, Mohamed Saad, Hussain ALMohiy, Mohamed M. Elsenety
Summary: Iron-doped zinc oxide nanoparticles were synthesized using the sol-gel combustion method. The effects of iron doping on the structural, optical, and photocatalytic properties of ZnO composites were investigated. XRD analysis confirmed the single hexagonal phase of all samples, while TEM analysis revealed the morphology and particle size. Density functional theory calculations were performed to compare the band structure, density of states, and charge distributions between ZnO and iron-doped ZnO. The results showed that iron concentration influenced the band gap and enhanced the photocatalytic performance of ZnO.
Article
Chemistry, Physical
J. J. Beltran, C. A. Barrero, A. Punnoose
JOURNAL OF PHYSICAL CHEMISTRY C
(2016)
Article
Chemistry, Inorganic & Nuclear
J. J. Beltran, C. A. Barrero, A. Punnoose
JOURNAL OF SOLID STATE CHEMISTRY
(2016)
Article
Materials Science, Multidisciplinary
L. A. Morales, G. Sierra-Gallego, C. A. Barrero, O. Arnache
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2016)
Article
Engineering, Chemical
H. Salazar-Tamayo, M. A. Marquez, C. A. Barrero
Article
Materials Science, Multidisciplinary
L. A. Morales, G. Sierra-Gallego, C. A. Barrero, O. Arnache
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2016)
Article
Materials Science, Multidisciplinary
H. Salazar-Tamayo, K. E. Garcia, C. A. Barrero
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2019)
Article
Materials Science, Multidisciplinary
Carlos Andres Palacio Gomez, Cesar Augusto Barrero Meneses, Arnaldo Matute
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2018)
Article
Materials Science, Multidisciplinary
Carlos Andres Palacio Gomez, Csar Augusto Barrero Meneses, Juan Antonio Jaen
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2020)
Proceedings Paper
Physics, Atomic, Molecular & Chemical
E. Giraldo, A. A. Ruales, L. F. Ramirez, J. E. Tobon, J. H. Lopez, C. A. Barrero
HYPERFINE INTERACTIONS
(2020)
Article
Chemistry, Multidisciplinary
Veronica Villacorta, Cesar Augusto Barrero, Maria-Belen Turrion, Francisco Lafuente, Jean-Marc Greneche, Karen Edilma Garcia
Article
Materials Science, Multidisciplinary
Harrison Salazar-Tamayo, Karen Edilma Garcia Tellez, Cesar Augusto Barrero Meneses
MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS
(2019)
Article
Chemistry, Multidisciplinary
VerOnica Villacorta, Karen Edilma Garcia, Jean-Marc Greneche, Cesar Augusto Barrero
Article
Chemistry, Physical
Jailes J. Beltran, Cesar A. Barrero, Alex Punnoose
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Proceedings Paper
Physics, Atomic, Molecular & Chemical
P. I. Arredondo S, C. A. Barrero, K. E. Garcia, J. M. Greneche
HYPERFINE INTERACTIONS
(2017)
Proceedings Paper
Physics, Atomic, Molecular & Chemical
J. H. Lopez, J. Restrepo, C. A. Barrero, J. E. Tobon, L. F. Ramirez, J. Jaramillo
HYPERFINE INTERACTIONS
(2017)
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)