Article
Physics, Applied
I. Othmani, Y. Regaieg, F. Ayadi, W. Cheikhrouhou-Koubaa, M. Koubaa, V. Nachbaur, M. Abdelhedi, A. Cheikhrouhou
Summary: The structural, magnetic, and magnetocaloric properties of -La0.7Sr0.3-xLixMnO3 samples (0 <= x <= 0.15) synthesized using the sol-gel technique at low temperature were investigated. The compounds crystallize in a rhombohedral system with R $(3) over bar $c space group. The samples display a paramagnetic-ferromagnetic transition with decreasing temperature and the Curie temperature decreases with increasing Li content. The maximum magnetic entropy change and relative cooling power increase with Li content.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2023)
Article
Materials Science, Multidisciplinary
Piotr Gebara
Summary: The aim of this study was to investigate the large magnetocaloric effect in LaFe11.35Co0.6Si1.05 alloy. X-ray diffraction and Mossbauer spectroscopy confirmed the coexistence of La(Fe,Si)(13)-type and alpha-Fe(Co,Si) phases. The magnetic entropy change and phase transition were analyzed using thermomagnetic Maxwell relation, Landau theory, and universal scaling curve.
Article
Chemistry, Physical
A. Bouzayen, A. Elghoul, A. Krichene, N. Chniba Boudjada, W. Boujelben
Summary: This study investigates the structural, magnetic properties, and the influence of sintering temperature on the magnetocaloric properties of La0.75Eu0.05Sr0.2MnO3 manganese. X-ray diffraction analysis reveals the coexistence of rhombohedral and orthorhombic structural phases. Reducing the sintering temperature leads to a decrease in grain size and a slight shift in Curie temperature. The magnetic behavior is explained by the core-shell structure, and decreasing the sintering temperature broadens the magnetic transition. The sample sintered at 800 degrees C exhibits the highest relative cooling power, suggesting its potential for magnetic refrigeration at room temperature.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Physics, Condensed Matter
Meenakshi, Priyanka Bisht, Arpit Gaur, Rabindra Nath Mahato
Summary: Cobalt doping has a significant impact on the magnetic and electrical properties of the La0.7Te0.3Mn1-xCoxO3 samples, enhancing the magnetocaloric effect and magnetoresistance, making the samples suitable for multifunctional device applications.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Materials Science, Multidisciplinary
Amit Kumar, Piyush K. Patel, K. L. Yadav, Yogendra Singh, Naveen Kumar, Abdullah, G. Sharma, Satyendra Singh
Summary: The effect of grain boundary resistance (G(BR)) and grain resistance (G(R)) on the magnetoelectric coupling in multiferroic composite thick films of BiFeO3 (BFO) nanocrystalline powder and poly vinylidene-fluoride (PVDF) polymer is significant. The study shows that grain boundary resistance plays an important role in strengthening the magnetoelectric effect in the BFO-PVDF system, with the BFO50 sample demonstrating promising results for device and sensor applications.
MATERIALS RESEARCH BULLETIN
(2022)
Article
Materials Science, Multidisciplinary
Tomasz Tolinski, Zbigniew S. Piskula, Waldemar Nowicki
Summary: This study presents systematic research on a series of manganite compounds and finds that La0.65Ca0.35MnO3 shows the best performance in adjusting the magnetocaloric effect. By characterizing various properties of the samples, a path for obtaining materials with reasonable magnetocaloric performance at temperatures close to room temperature is revealed.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Physical
V Poojitha, S. Mahalakshmi, K. Santhi, S. Nithyanatham
Summary: In this study, multiferroic bismuth ferrite was prepared using the sol-gel method and its structural and optical characteristics were examined. X-ray diffraction and Fourier transform infrared analysis were used to study the structure, while field emission scanning electron microscopy was used to observe the morphology. The research found that bismuth ferrite has potential importance in applications such as high dielectric constant capacitors and hard disc components.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
Joshua P. Smith, Kurt E. Sickafus, Claudia J. Rawn, Cordell Delzer, Ching-Fong Chen, Charles Melcher
Summary: Li-containing garnet compounds have potential as transparent ceramic dual-mode scintillators, with Li5La3Ta2O12 showing promise due to its properties. This study focused on establishing thermal processing conditions for a sol-gel method and consolidating powders to form high-density ceramics. The experiments showed the presence of two cubic Li5La3Ta2O12 garnet phases with different lattice parameters, indicating a remaining excess of Li in the ceramics.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Biochemistry & Molecular Biology
Albena Bachvarova-Nedelcheva, Stancho Yordanov, Reni Iordanova, Irina Stambolova, Angelina Stoyanova, Nelly Georgieva, Veronica Nemska
Summary: TiO2 nanopowders modified by Nd and Sm were prepared using the sol-gel technique. Samples containing Sm were amorphous up to 300 degrees C, while those with Nd preserved a mixed organic-inorganic amorphous structure at higher temperatures. Samples heated at 500 degrees Celsius showed photocatalytic activity under UV irradiation and exhibited good antimicrobial activity against E. coli K12 and B. subtilis.
Article
Physics, Condensed Matter
Muhammad Zain Yar, Muhammad Khalid, Muhammad Yasin, Kiran Naz, Muhammad Gul Bahar Ashiq, Muhammad Younas, Thamraa Alshahrani, Khaild I. Hussein, Khizar Bin Hassan, Bilal Ahmed, M. Mohamed Javid
Summary: The manganese-substituted nickel-rich lithium-cobalt oxide Li2Ni6MnxCo2-xO10 was successfully synthesized using the sol-gel autocombustion method. The structure and morphology of the material were characterized by XRD and SEM techniques, respectively. The prepared nanomaterial exhibited a hexagonal structure with a secondary phase. The average crystallite size was determined to be between 12 and 27 nm using different methods. SEM analysis showed the surface morphology and particle size distribution. The dielectric characteristics of the material were frequency-dependent, indicating suitability for high-frequency devices. Magnetic measurements revealed variations in saturation magnetization and coercivity with increasing Mn concentration. The obtained dielectric properties suggest potential applications in energy storage.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Multidisciplinary
Sukhmanbir Kaur, Vishal Kumar Chalotra, Rohit Jasrotia, Venuka Bhasin, Sanjay Suman, Swati Kumari, Sanjay Thakur, Jahangeer Ahmed, Amir Mehtab, Tokeer Ahmad, Ranjit Singh, Sachin Kumar Godara
Summary: In this study, Cr-substituted cobalt nanoferrites were successfully prepared using sol-gel auto-combustion technique, exhibiting high saturation magnetization and coercivity for applications in data recording and EMI shielding. Raman spectroscopy showed crystal straining, and antibacterial testing indicated inhibition against both gram-negative and gram-positive bacteria.
Article
Chemistry, Multidisciplinary
V. Dolezal, V. Jakes, J. Petrasek, P. Ctibor, O. Jankovsky, K. Rubesova, D. Sedmidubsky
Summary: The perovskite-type phase CaCu3Ti4O12 has promising dielectric properties, but the phenomenon of giant permittivity in this material has not been fully explained. In this study, Europium with similar electronegativity and ionic radius as Calcium was tested as a partial or complete substitute. A series of materials, including CaCu3Ti4O12, Eu0.4Ca0.6Cu3Ti4O12, and EuCu3Ti4O12, were prepared using a sol-gel method and sintering. The influence of microstructure and phase composition on the dielectric properties of the samples, as well as the effect of sintering temperature, was investigated. Secondary phases and microstructure were found to play a significant role in improving the permittivity values, which were found to be giant at higher frequencies but significantly different for specific compositions.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Nurul Afifah Mahmud, Lidyayatty Abdul Malik, Nurul Waheeda Mazlan, Nur Syafkeena Mohd Affandi, Shazana Mohd Senari, Nafisah Osman, Abdul Mutalib Md Jani
Summary: A functionalized activated carbon derived from palm oil empty fruit bunches is utilized as a dispersing agent to synthesize BCZY powder, which is used as a composite anode. The modified powder has a smaller particle size and less agglomeration than the pristine powder, showing lower ohmic and polarization resistances in the composite anode of the single cell.
MATERIALS RESEARCH BULLETIN
(2021)
Article
Materials Science, Multidisciplinary
Anchal Sharma, Puneet Negi, Ruhit Jyoti Konwar, Hemaunt Kumar, Yogita Verma, Shailja, Prakash Chandra Sati, Bhargav Rajyaguru, Himanshu Dadhich, N. A. Shah, P. S. Solanki
Summary: Pure and doped derivatives of TiO2 with nitrogen and cobalt as dopants were synthesized using auto-combustion sol-gel technique. The doping effects on the structural, optical, and electrical properties were investigated. The results showed that doping can tune the band gap of TiO2, making it suitable for photocatalytic and photovoltaic applications.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Condensed Matter
Shuohai Fang, Peiqi Chen, Wei He, Xi Yu, Yunxiang Yang, Qian Wang, Hui Luo, Tonghan Yang
Summary: This paper investigates the influence of A-site ionic disorder (sigma(2)) on the structure, magnetic, and magnetocaloric properties in La0.85-xNdxAg0.15-yKyMnO3. The results show that increasing sigma(2) leads to a change in the crystal structure and a decrease in ferromagnetic double exchange interaction, resulting in a linear decrease in Curie temperature (T-C). Additionally, the existence of the Griffiths phase is observed in a specific sample with sigma(2) = 0.004.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Ceramics
Y. Moualhi, Muaffaq M. Nofal, R. M'nassri, H. Rahmouni, A. Selmi, M. Gassoumi, K. Khirouni, A. Cheikrouhou
CERAMICS INTERNATIONAL
(2020)
Article
Engineering, Electrical & Electronic
Saoussen Mahjoub, Rafik M'nassri, Mohamed Baazaoui, Muaffaq M. Nofal, Elham M. A. Dannoun, E. K. Hlil, Mohamed Oumezzine
Summary: The critical behavior and magnetic field dependence of magnetic entropy changes for ferromagnetic La0.65Nd0.05Ba0.3Mn1-xCrxO3 (0 <= x <= 0.15) ceramics were investigated. The results show that Curie temperature, magnetic entropy changes, and critical exponents are influenced by Cr doping. The field dependence of magnetic entropy changes confirms a second-order magnetic transition.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2021)
Article
Physics, Condensed Matter
S. Chihaoui, N. Kharrat, M. A. Wederni, M. Koubaa, W. Cheikhrouhou-Koubaa, L. Sicard, A. Cheikhrouhou, K. Khirouni
Summary: The study found that Ni doping affects the morphological, electrical, and dielectric properties of YMn0.4Fe0.6O3 samples, leading to an increase in grain size and changes in conductivity. The conduction mechanism can be explained by the small polaron tunneling model.
PHYSICA B-CONDENSED MATTER
(2021)
Article
Materials Science, Multidisciplinary
I. Ouni, H. Ben Khlifa, R. M'nassri, Muaffaq. M. Nofal, Elham M. A. Dannoun, H. Rahmouni, K. Khirouni, A. Cheikhrouhou
Summary: The study investigates the effects of substituting sodium with potassium on the electrical and dielectric properties of GdFeO3-type manganites. The introduction of potassium led to a metal-semiconductor transition in the samples, reducing resistivity while not affecting the metal-semiconductor temperature transition. The materials show potential for specific applications, with significant temperature coefficient of resistance values.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2021)
Article
Chemistry, Physical
R. Thaljaoui, Muaffaq M. Nofal, R. M'nassri
Summary: Magnetic measurements identified the magnetic ordering and critical exponents of Pr0.6Sr0.35Ag0.05MnO3 (x = 0.05) and Pr0.6Sr0.3Ag0.1MnO3 (x = 0.1) ceramics, showing a second-order phase transition and potential as candidates for magnetic refrigeration. The determined exponents follow a mean-field model with long-range ferromagnetic interaction, and the reliability was tested using the universal scaling hypothesis. Temperature variation in effective exponents beta eff and gamma eff resemble those for disordered ferromagnetic materials, and universal curves for Delta SM(T) were constructed based on critical exponents.
Article
Engineering, Biomedical
A. Gharbi, S. Ayadi, N. Jouini, F. Schoenstein, H. Oudadess, H. El Feki, W. Cheikhrouhou-Koubaa
Summary: This study successfully consolidated alkali borated bioactive glasses powders at low temperature using Spark Plasma Sintering (SPS), achieving high density and fully amorphous structure. Increasing the sintering temperature resulted in crystallization and higher density, making it suitable for repairing defects in non-load bearing bones and improving bone/implant bioactivity. The mechanical properties of the glasses decreased with increasing boron content, approaching those of natural materials.
JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS
(2022)
Article
Engineering, Electrical & Electronic
R. M'nassri, Muaffaq M. Nofal, Elham M. A. Dannoun, H. Rahmouni
Summary: The objective of this study is to investigate the field dependence of the electrocaloric effect in KTa0.57Nb0.43O3 and analyze its entropy change and temperature change under different electric fields. The artificial neural network is used to predict the performance and temperature range of the compound operating near room temperature. The compound shows a large electrocaloric effect, high relative cooling power, and is a promising candidate for cooling devices near room temperature.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Physics, Applied
Olfa Khemakhem, Jamila Ben Naceur, Firas Ayadi, Wissem Cheikhrouhou-Koubaa, Mohamed Koubaa, Virginie Nachbaur, Radhouane Chtourou, Abdelwaheb Cheikhrouhou
Summary: Hard hexagonal barium ferrite and core-shell structure barium ferrite-TiO2 composite nanoparticles were successfully prepared, showing good photocatalytic activity and recyclability.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2022)
Article
Materials Science, Multidisciplinary
R. M'nassri, Muaffaq M. Nofal, Elham M. A. Dannoun, H. Rahmouni
Summary: The experimental data of BaHf0.11Ti0.89O3 bulk ceramic was evaluated using an artificial neural network, showing promising performance in electrocaloric effects and potential application in green cooling devices. The field dependence of increment S and increment T was thoroughly investigated, confirming the second-order character of the electric phase transition of the sample.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Chemistry, Physical
H. Salhi, A. Mleiki, R. M'nassri, H. Rahmouni, L. Ajili, K. Khirouni
Summary: In this study, the La0.4Bi0.3Sr0.2Ba0.1MnO3 compound was synthesized by the sol-gel method, and its structural and electrical properties were investigated. The compound showed a rhombohedral crystalline phase and exhibited semiconductor behavior in the explored temperature range. The electrical conductivity followed different mechanisms at different temperatures.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Engineering, Electrical & Electronic
R. M'nassri, Elham M. A. Dannoun, Muaffaq M. Nofal
Summary: In this work, the magnetic entropy changes (Delta S) of Mn5-xCoxGe3 intermetallic compounds were investigated as magnetocaloric materials near room temperature. The characteristic of second-order transition was distinguished using a quantitative criterion derived from the local exponent (N) and the phenomenological universal behavior. The universal curves of the Mn5-xCoxGe3 samples collapse onto a single curve, indicating a universal behavior of the system.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Analytical
Amina Gharbi, Ahmed Yahia Kallel, Olfa Kanoun, Wissem Cheikhrouhou-Koubaa, Christopher H. H. Contag, Iulian Antoniac, Nabil Derbel, Nureddin Ashammakhi
Summary: Monitoring changes in intracranial pressure caused by edema is crucial for improving outcomes in trauma or surgery. Implantable sensors have been explored, but the risk of brain tissue injury during their removal remains. In this study, we demonstrate a bioactive glass-based hydration sensor that can effectively monitor brain edema and provide an alert for increased intracranial pressure.
Article
Materials Science, Ceramics
Amina Gharbi, Hassane Oudadesse, Nureddin Ashammakhi, Wissem Cheikhrouhou-Koubaa, Andreas Blaeser, Julietta V. Rau, Iulian Antoniac, Nabil Derbel, Hafedh El Feki
Summary: This study synthesized bioactive fluorosilicate glasses (BaG-Fx) through melting method to increase the fluoride content in derived Hench bioactive glass (BaG). Different physico-chemical analyses were conducted to characterize the glasses. The addition of calcium fluoride (CaF2) induced significant physico-chemical changes, as proven by X-ray diffraction and infrared spectroscopy. The morphological changes of the glass powders were observed with the increase of CaF2 content, and the thermal analysis demonstrated the impact of fluoride ions on the structural dynamics and thermodynamic properties of the glasses.
CERAMICS INTERNATIONAL
(2023)
Article
Physics, Applied
I. Othmani, Y. Regaieg, F. Ayadi, W. Cheikhrouhou-Koubaa, M. Koubaa, V. Nachbaur, M. Abdelhedi, A. Cheikhrouhou
Summary: The structural, magnetic, and magnetocaloric properties of -La0.7Sr0.3-xLixMnO3 samples (0 <= x <= 0.15) synthesized using the sol-gel technique at low temperature were investigated. The compounds crystallize in a rhombohedral system with R $(3) over bar $c space group. The samples display a paramagnetic-ferromagnetic transition with decreasing temperature and the Curie temperature decreases with increasing Li content. The maximum magnetic entropy change and relative cooling power increase with Li content.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2023)
Article
Engineering, Biomedical
Amina Gharbi, Hassane Oudadesse, Hafedh el Feki, Wissem Cheikhrouhou-Koubaa, Xanthippi Chatzistavrou, Julietta Rau, Jyrki Heinamaki, Iulian Antoniac, Nureddin Ashammakhi, Nabil Derbel
Summary: In this work, derived Hench bioactive glass containing boron (BaG-B-x) was fabricated using the sol-gel process. A high boron content of 20 wt.% in BaG was achieved for the first time, while maintaining bioactivity and biodegradability. The BaG-B-x showed enhanced bioactivity and chemical stability, with improved crystallization rate and quality of the newly formed hydroxyapatite (HAp) layer on the surface. The presence of boron also accelerated the degradation of BaGs in simulated body fluid (SBF). Therefore, BaG-B-x can be a potential material for bone regeneration, especially in children.
JOURNAL OF FUNCTIONAL BIOMATERIALS
(2023)
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)