Article
Materials Science, Multidisciplinary
Liqin Su, Yifei Yu, Linyou Cao, Yong Zhang
Summary: This study systematically characterized the inhomogeneity of strain, doping, and defects in CVD-grown WS2 monolayers and revealed the effects of different regions on the properties. It was found that the inhomogeneity substantially diminished in continuous films.
SCIENCE CHINA-MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Ashok Ande, M. Prasad
Summary: The effects of samarium-doped silver nanoparticles on the luminescence intensity of borate glasses were studied. The material was found to be amorphous through XRD analysis, while TEM examination provided information on the average size distribution of the nanoparticles. FTIR, Raman spectra, and DTA thermograms were used to determine vibrational and structural units, as well as transition temperatures. XPS analysis allowed for the identification of chemical shifts. The study concluded that the system could be used as a red luminous glass matrix in photonic device implementations.
Article
Chemistry, Physical
Victor Atuchin, Alexey Subanakov, Aleksandr Aleksandrovsky, Bair Bazarov, Jibzema Bazarova, Alexander Krylov, Maxim Molokeev, Aleksandr Oreshonkov, Alexey Pugachev
Summary: A new noncentrosymmetric alkali rare-earth double borate, Rb3SmB6O12, was discovered in the ternary system Rb2O-Sm2O3-B2O3. It has a three-dimensional framework structure with [B5O10](5-) groups linked to Sm-O polyhedra and SmO6 octahedra. Rb3SmB6O12 exhibits good thermal stability and nonlinear optical response.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Prathvi, S. Asha Bhandarkar, Akshayakumar Kompa, Dhananjaya Kekuda, M. S. Murari, Maksim P. Telenkov, K. K. Nagaraja, K. Mohan Rao
Summary: The study found that with increasing Zn2+ concentration, the crystallite size of anatase phase in the thin films decreased, light absorption increased, and the bandgap narrowed. FESEM revealed a homogeneous distribution of grains in the films.
SURFACES AND INTERFACES
(2021)
Article
Nanoscience & Nanotechnology
Jundong Zhang, Baojun Pan, Weitao Su, Lijie Zhang, Fei Chen, Hong-Wei Lu
Summary: This study successfully transformed α-Sb2O3 into α-Sb2O4 using a near field heating effect, achieved rapid transformation of flakes with thicknesses of 4-42 nm, and enabled laser patterning on the flakes. These findings enrich the understanding of this novel 2D dielectric material and provide a new avenue for its application in atomic-scale electronic devices.
ACS APPLIED NANO MATERIALS
(2022)
Article
Optics
Dongjie Liu, Guogang Li, Peipei Dang, Qianqian Zhang, Yi Wei, Lei Qiu, Maxim S. Molokeev, Hongzhou Lian, Mengmeng Shang, Jun Lin
Summary: Fe3+-activated Sr2-yCay(InSb)(1-z)Sn2zO6 phosphors with long-wavelength near-infrared emission were reported. The overall emission tuning was achieved through crystallographic site engineering. These phosphors exhibited high internal quantum efficiency and showed great potential for near-infrared spectroscopy detection.
LIGHT-SCIENCE & APPLICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
F. Belkhiria, F. I. H. Rhouma, H. Gammoudi, M. Amlouk, R. Chtourou
Summary: This work presents the preparation and characterization of LaGaO3 perovskite material using the sol-gel based Pechini method at low temperatures. The material exhibited a pure orthorhombic phase, a band gap energy of 3.64 eV, and two blue bands in the photoluminescence spectra. The temperature dependence of the photoluminescence analysis showed an S-shape behavior.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Materials Science, Ceramics
Indrani Coondoo, Neeraj Panwar, Svetlana Krylova, Alexander Krylov, Denis Alikin, Suresh Kumar Jakka, Anton Turygin, Vladimir Ya. Shur, Andrei L. Kholkin
Summary: This study investigates the phase transitions and domain structure evolution in BCZT ceramics through detailed temperature-dependent X-ray diffraction, Raman scattering, domain configuration, and photoluminescence analysis. The presence of disorder and self-trapped excitons in PL spectra is also revealed, indicating potential applications in optoelectronic devices.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Analytical
Hao He, Maofeng Cao, Xiaxia Yue, Mengxi Xu, Lei Wang, Bin Ren
Summary: A collaborative low-rank matrix approximation method was developed for fast hyperspectral Raman imaging and TERS imaging, demonstrating high signal-to-noise ratio and improved performance in signal extraction. The method significantly reduces noise, accelerates data acquisition, and provides a promising tool for fast TERS and conventional Raman imaging.
ANALYTICAL CHEMISTRY
(2021)
Article
Materials Science, Ceramics
Shagufta Gulbadan, Muhammad Azhar Khan, Ghulam Abbas Ashraf, Khalid Mahmood, Muhammad Shahid, M. Irfan, Abrar Ahmad
Summary: Ba0.6Sr0.4-xYbxFe12-yCoyO19 M-type hexaferrite was synthesized using the auto combustion sol-gel process and sintered in a muffle furnace. XRD, FTIR, Raman, and Photoluminescence spectroscopies were used to analyze the samples. The XRD patterns confirmed the single phase of the synthesized samples. Changes in Yb-Co concentration affected lattice parameters and unit cell volume. FTIR spectroscopy revealed the formation of multiple absorption bands. Raman spectra showed strain in the unit cell. PL spectra exhibited emissions in the range of 630 nm-700 nm. The substitution improved dielectric losses and AC conductivity. The findings suggest that samples with appropriate cationic substitution can be used for microwave and high-frequency applications.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Pooja, Y. Dwivedi
Summary: In this study, the synthesis of Tb(Sal)(3)Phen complex and the fabrication of polymeric nanofibres were reported. It was found that Tb3+ ions emitted brighter light in PVA nanofibres compared to PAN nanofibres, and the PAN nanofibres had a smoother surface. Additionally, a delay in the relaxation channels of salicylic acid was observed in the nanofibres.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Food Science & Technology
Emigdio Chavez-Angel, Blanca Puertas, Martin Kreuzer, Robert Soliva Fortuny, Ryan C. Ng, Alejandro Castro-Alvarez, Clivia M. Sotomayor Torres
Summary: This study presents a comparative analysis of different characterization techniques, including Raman and infrared spectroscopies, photoluminescence, and thermal-conductivity measurements, for detecting adulteration in olive oils. The combination of these techniques provides a holistic approach to validate the purity and authenticity of olive oils.
Article
Chemistry, Physical
Sefa Celik, Sevim Akyuz, Aysen E. Ozel
Summary: Cepharanthine, a natural alkaloid with various pharmacological properties, has been widely used for the treatment of diseases. This study investigated its molecular structure, pharmacological mechanisms, and antiviral properties through molecular docking simulations and interaction studies.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Engineering, Electrical & Electronic
Sahana Nagappa Moger, M. G. Mahesha
Summary: The present research focuses on the properties of p-Si/ ZnSxSe1-x heterojunctions in photodetector applications. The heterostructures were fabricated by depositing ZnSSe on Si wafer using thermal co-evaporation technique. GIXRD study showed that the films were in cubic phase and the prominent peak shifted with composition x. Photoluminescence confirmed the presence of point defects and emission related to higher Zn content in the films. Temperature-dependent Raman analysis revealed the shift of longitudinal optical phonon modes with decreasing temperature, which described the variation of lattice parameters. The photoresponse of p-Si/ ZnSxSe1-x heterostructures was investigated and found that the sample with x = 0.8 exhibited high photosensitivity and is suitable for photodetector applications.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Materials Science, Ceramics
Ashok Ande, J. Bhemarajam, Venkanna Kanneboina, Swapna, M. Prasad
Summary: Silver nanoparticles were synthesized in Dy3+ doped lithium zinc borate glasses by conventional melt quenching method. The impact of silver nanoparticles on the luminescence properties of the glasses was investigated, and the structural characteristics of the glasses were confirmed through XRD measurements as well as Raman and Fourier transform infrared spectra.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Materials Science, Coatings & Films
M. Tyagi, S. K. Ghosh, R. Tewari
SURFACE ENGINEERING
(2020)
Article
Materials Science, Ceramics
Pushpendra, Ravi K. Kunchala, Rimple Kalia, Boddu S. Naidu
CERAMICS INTERNATIONAL
(2020)
Article
Materials Science, Biomaterials
Kamaljit Kaur, Pulkit Bindra, Sanjit Mondal, Wei-Peng Li, Sandeep Sharma, Bandana Kumari Sahu, Boddu S. Naidu, Chen-Sheng Yeh, Ujjal K. Gautam, Vijayakumar Shanmugam
Summary: The study utilized a disk containing upconversion nanoparticles to convert near-infrared radiation into UV radiation, resulting in enhanced conversion of vitamin D-2 by approximately 2.5 times.
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Pushpendra, Indranil Suryawanshi, Saumya Srinidhi, Sarabjot Singh, Rimple Kalia, Ravi K. Kunchala, Shyam Lal Mudavath, Boddu S. Naidu
Summary: This study reports the synthesis of dual-mode emitting GdPO4 nanorods and explores their crystal structure and optical properties. The nanomaterial can be applied to luminescent security ink for printing various security patterns, effectively combating counterfeiting activities.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Pushpendra, Sarabjot Singh, Saumya Srinidhi, Ravi K. Kunchala, Rimple Kalia, Srungarpu N. Achary, Boddu S. Naidu
Summary: Lanthanide-doped luminescent nanomaterials have been widely used in various fields, and this study focused on the synthesis of Bi0.95-xGdxEu0.05PO4 solid solutions for anticounterfeiting applications. The samples showed excellent photoluminescence properties and emitted different colors under UV illumination. By replacing Bi3+ ions with Gd3+, the luminescent intensity was enhanced, with optimum properties observed in the Bi0.50Gd0.45Eu0.05PO4 sample for anticounterfeiting purposes.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Rimple Kalia, Pushpendra, Ravi K. Kunchalaa, S. N. Achary, Boddu S. Naidua
Summary: This study reported high photocatalytic hydrogen evolution activity of nano-structured ZnFe2-xGaxO4 (0 <= x <= 2) solid solutions synthesized by citrate-gel method, with increasing Ga concentration leading to higher catalytic activity. Co-loading of co-catalyst significantly enhanced the activity of the solid solution samples for photocatalytic hydrogen evolution from water.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Dinesh K. Patel, K. G. Girija, Boddu S. Naidu, B. Vishwanadh, Farheen N. Sayed, R. K. Vatsa, V. Sudarsan, S. K. Kulshreshtha
Summary: The influence of In3+ doping on the structural and luminescence properties of ZnGa2O4 nanoparticles was investigated. Different Ga3+ structural units were identified, leading to tuning of emission wavelength from the nanoparticles upon UV excitation. Alternating current powder electroluminescence was demonstrated for both undoped and In3+ doped ZnGa2O4 nanoparticles.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Hari Krishna Mishra, Dipanjan Sengupta, Anand Babu, Bilal Masood Pirzada, Ranjini Sarkar, Boddu S. Naidu, Tarun Kumar Kundu, Dipankar Mandal
Summary: This study reports the synthesis of a PVDF/Ag2CO3 nanocomposite with high dielectric constant and mechanical energy harvesting applications. The fabricated flexible piezoelectric nanogenerator (FPNG) shows excellent electrical output response, mechano-sensitivity, and degradation of organic dye.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Chemistry, Physical
Ravi K. Kunchala, Pushpendra, Rimple Kalia, Boddu S. Naidu
Summary: Artificial photosynthesis requires efficient water oxidation catalysts. Manganese oxides, although abundant and inexpensive, exhibit lower efficiency compared to other metal oxides. Researchers have demonstrated remarkable photochemical water oxidation activity by synthesizing high surface area, porous MnO2 nanostructures.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Chemistry, Applied
Pushpendra, Indranil Suryawanshi, Rimple Kalia, Ravi K. Kunchala, Shyam Lal Mudavath, Boddu S. Naidu
Summary: This study reports the use of Gd0.95Eu0.05PO4 nanorods for latent fingerprint visualization under 395 nm light. The nanorods exhibit excellent photoluminescence properties and strong fuchsia emission. They have been successfully employed for developing clear and well-defined latent fingerprints on various substrates.
JOURNAL OF RARE EARTHS
(2022)
Article
Chemistry, Physical
Ravi K. Kunchala, Dipti Bhatt, Rimple Kalia, Satish Kumar Samal, Jyoti Yadav, Boddu S. Naidu
Summary: The water oxidation activity of La1-xCaxMnO3 solid solutions was systematically observed by tuning the valence of Mn ion. It was found that the water oxidation activity increases up to x = 0.5 and then decreases with increasing Ca concentration. This is due to the double exchange mechanism caused by the mixed-valence of Mn, which enhances the electrical conduction and electron transfer rate, leading to enhanced oxygen evolution activity. This finding provides useful insights for designing and developing efficient water oxidation catalysts.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Rimple Kalia, Bilal Masood Pirzada, Ravi K. Kunchala, Boddu S. Naidu
Summary: In this study, a TaON/CdS semiconductor heterojunction photocatalyst was synthesized by a simple precipitation method. The band positions of the two semiconductors were optimized to achieve maximum hydrogen evolution. The formation of a heterojunction between the semiconductors was confirmed by XRD, XPS, and TEM analysis. Among the synthesized catalysts, the 3% TaON/CdS heterostructure showed the highest hydrogen evolution activity under both natural solar light and visible light generated by a xenon lamp without the addition of a noble metal co-catalyst.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Ravi K. Kunchala, Dipti Bhatt, Rimple Kalia, Boddu S. Naidu
Summary: We found that exchanging Na+ with H+ in sodium-based metal oxides can enhance their ability to efficiently perform water oxidation, due to the increased surface area, super hydrophilicity, and coexistence of Co4+ and Co3+.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Materials Science, Ceramics
Satish Kumar Samal, Pushpendra, Jyoti Yadav, Boddu S. Naidu
Summary: Rare earth ions doped upconversion materials with exceptional luminescence properties were synthesized through a conventional co-precipitation method. The optimized upconversion emission was achieved with Er and Yb concentrations of 0.035 and 0.125 mol%, respectively in KBi(MoO4)2 nanomaterials. The temperature-dependent intensity ratio of upconversion emission bands was investigated, and the maximum absolute sensitivity was found to be 0.0123 K-1, indicating the potential application of this double molybdate as a luminescence-based temperature probe.
CERAMICS INTERNATIONAL
(2023)
Article
Nanoscience & Nanotechnology
Ravi K. Kunchala, Pushpendra, Rimple Kalia, Boddu S. Naidu
Summary: This study reports the synthesis of high surface area Mn2O3 nanomaterials as an efficient photocatalytic water oxidation catalyst. The AD-Mn2O3 nanostructures exhibit excellent water oxidation activity, showing super hydrophilicity and a higher surface area compared to conventional Mn2O3 nanoparticles. The research aims to develop an earth-abundant, cost-effective, and efficient catalyst for overall water splitting.
ACS APPLIED NANO MATERIALS
(2021)
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)
