Article
Chemistry, Multidisciplinary
Amin Azizi, Mehmet Dogan, Jeffrey D. Cain, Kyunghoon Lee, Xuanze Yu, Wu Shi, Emily C. Glazer, Marvin L. Cohen, Alex Zettl
Summary: Metallic transition-metal dichalcogenides (TMDs) are rich material systems with strong electron-electron and electron-phonon interactions leading to various collective electronic states. Substitutional doping with heavy atoms can modify interlayer interaction and collective electronic states in NbS2, allowing for easy exfoliation while maintaining superconductivity. Additionally, Re dopants can stabilize native CDW patterns that are not stable in pristine NbS2 according to first-principles calculations.
Article
Chemistry, Physical
Anil Kumar, M. Kamal Warshi, Archna Sagdeo, P. R. Sagdeo
Summary: This study investigates Cr-doped PrFeO3 ceramics and proposes a correlation between Goldschmidt structural tolerance factor, structural bandwidth, and e(g) electron bandwidth. Experimental and theoretical findings suggest a mechanism involving orbital-facilitated charge transfer, enhancing the understanding of the relationship between these parameters.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Anil Kumar, Omkar Rambadey, P. R. Sagdeo
Summary: This report explores the quantitative relationship between Urbach energy (E-U) and dielectric constant (epsilon) in Cr-substituted PrFeO3, showing that Cr doping leads to an increase in E-U values and a decrease in epsilon values, with E-U exhibiting an inverse square dependence with epsilon.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
S. Amaya-Roncancio, D. A. Torres-Ceron, J. P. Velasquez-Tamayo, D. F. Mercado, I. D. Arellano-Ramirez, E. Restrepo-Parra
Summary: TiO2/SO42-surfaces were used to reduce Cr(VI) to Cr(III) in wastewater. X-ray photoelectron spectroscopy and density functional theory were used to study the adsorption behavior of Cr(VI) and Cr(III) on TiO2/SO42-surfaces. The results show that Cr(III) (in the form of Cr(OH)3) and Cr(VI) (in the form of CrO42-) are present on the surfaces. The presence of OH- weakens the interaction between the surface and Cr(VI), while it stabilizes the formation of Cr(III) on the surface.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Tania Garcia-Sanchez, Samuel Gallego-Parra, Akun Liang, Jose Luis Rodrigo-Ramon, Alfonso Munoz, Placida Rodriguez-Hernandez, Javier Gonzalez-Platas, Juan angel Sans, Vanesa Paula Cuenca-Gotor, Hussien H. Osman, Catalin Popescu, Veaceslav Ursaki, Ion M. Tiginyanu, Daniel Errandonea, Francisco Javier Manjon
Summary: The effect of pressure on the structural, vibrational, and optical properties of room-temperature crystallized PbGa2S4 is investigated. X-ray diffraction, Raman scattering, and optical-absorption measurements are conducted at pressures beyond 20 GPa, and the results are compared to ab initio calculations and related compounds. The study reveals a partially reversible pressure-induced decomposition of PbGa2S4 into a mixture of Pb6Ga10S21 and Ga2S3 above 15 GPa, offering a route for the high-pressure synthesis of Pb6Ga10S21, which is isostructural to the stable Pb6In10S21 compound.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
C. Belman-Rodriguez, R. Ponce-Perez, A. M. Reyes, C. A. Galindez-Jamioy, Gerardo Soto, Mario H. Farias, J. Guerrero-Sanchez, Maria G. Moreno-Armenta, A. Reyes-Serrato, Sergio A. Aguila
Summary: The investigation of Bi4Ge3O12 doped with Eu3+ was conducted experimentally and theoretically in this study. Several samples with different concentrations of Eu3+ were synthesized using the polymeric precursor method. Photoluminescence spectroscopy was performed to observe the electronic transitions of Eu3+. FTIR interpretation of the samples indicated that Eu3+ substituted both Bi3+ and Ge4+. This finding opens up a new way to enhance the magnetic and luminescent properties of Bi4Ge3O12 through selective doping with rare earth elements.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Michael Jirasek, Michel Rickhaus, Lara Tejerina, Harry L. Anderson
Summary: The study demonstrates the detection of ASE in pi-conjugated porphyrin nanorings experimentally, with DFT calculations predicting a similar range of ASE. Comparison with [18]annulene suggests similar ASE in porphyrin nanorings, contributing to the fundamental understanding of aromaticity in large macrocycles.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Materials Science, Ceramics
Rebaz Obaid Kareem, Omer Kaygili, Tankut Ates, Niyazi Bulut, Suleyman Koytepe, Ali Kurucay, Filiz Ercan, Ismail Ercan
Summary: This study revealed the significant impact of Ce content on lattice parameters, bandgap energy, and biocompatibility of Bi-based hydroxyapatites through experimental and theoretical analyses.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Physical
Muhammad Adeel Tariq, Amjad Ali, M. Irfan Nawaz, Abdul Hamid, Muhammad Atif, Rizwan Raza
Summary: Fuel cells produce clean and green power through the use of efficient and fuel-flexible fuel cell devices. By synthesizing Ga-doped ceria electrolyte, the operating temperature and performance of fuel cells can be improved, resulting in a stable and durable system. The conductivity of the doped electrolyte is enhanced by reducing the band gap and shifting the O(2p) states, making Ga-doped ceria an efficient electrolyte for fuel cells.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
H. Moreno, M. Damm, S. M. Freitas, M. V. S. Rezende, A. Z. Simoes, G. Biasotto, V. R. Mastelaro, V. C. Teixeira, M. A. Ramirez
Summary: This study investigates the effects of Ce on the (micro)structure and photoluminescence of CaCu3Ti4O12 ceramics. Ce ions are found to be incorporated into the lattice, inducing point defects and oxygen vacancies in the optical bandgap region, resulting in broadband violet-blue photoluminescence.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
S. Shanmukharao Samatham, Akhilesh Kumar Patel, Ashish Kumar Mishra, Alexey Lukoyanov, Lyubov N. Gramateeva, Archana Lakhani, Ganesan Vedachalaiyer, Suresh Krishnawarrier Gopinatha Warrier
Summary: In this study, we conducted a comprehensive investigation of the MnNi0.7Fe0.3Ge Heusler alloy to explore its magnetic, caloric, and electrical transport properties. The alloy exhibited a ferromagnetic transition, a weak antiferromagnetic transition, and a spin-glass transition. The findings confirmed the presence of mixed ferromagnetic and antiferromagnetic interactions.
Article
Chemistry, Physical
Yiming Liao, Qu Zhou, Wenjun Hou, Jie Li, Wen Zeng
Summary: The study investigated the effect of Cr doping on the adsorption properties of InP3 monolayer, showing that Cr doping could significantly improve the adsorption performance to H-2, C2H2, and CH4, with a particularly strong affinity towards C2H2. The Cr-InP3 monolayer may potentially serve as a sensitive material for detecting C2H2 gas.
APPLIED SURFACE SCIENCE
(2021)
Article
Materials Science, Ceramics
S. N. Nazrin, M. K. Halimah, A. A. A. Awshah, S. P. Yee, L. Hasnimulyati, Imed Boukhris, G. V. Jagadeesha Gowda, M. N. Azlan, J. L. Clabel, S. N. Nadzim
Summary: The melt-quenching method was used to synthesize a series of neodymium-doped zinc tellurite glass, in which the prepared glasses exhibited non-linear variations in elastic parameters as the Nd2O3 content increased. Theoretical data sets for the elastic properties of the glass systems were obtained using different models, with the Rocherulle and Mackenzie models showing the best agreement with experimental data.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Multidisciplinary
Milind Kondalkar, Umesh Fegade, Inamuddin, Suvardhan Kanchi, Tariq Altalhi, K. E. Suryawanshi, A. M. Patil
Summary: The study reports the synthesis of an Al2O3-doped MnFe2O4 nanocomposite for the adsorption of Cr(VI) ions, with analyses using pseudo-first and pseudo-second-order kinetic models. It was found that the pseudo-second-order adsorption model fits well with the adsorption data of Cr(VI) ions, while the Langmuir isotherm model is a better fit for the equilibrium adsorption data. The study also used mathematical physics models to demonstrate the orientation and significance of functional groups in the nanocomposite during the adsorption process, showing a temperature-dependent decrease in parameter n for the Cr(IV)-Al2O3@MnFe2O4 adsorption method.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Physical
Hecheng Han, Jiaqi Wang, Chunyan Xu, Qiushi Wang, Huiling Zheng
Summary: In this study, Gd-doped AlN hierarchical microstructures were synthesized and analyzed, confirming the doping of Gd ions and the magnetic behavior of AlN:Gd. The results indicate that AlN:Gd hierarchical microstructures hold promising potential for spintronic applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Physics, Applied
Suchita Kandpal, Tanushree Ghosh, Chanchal Rani, Love Bansal, Manushree Tanwar, Rajesh Kumar
Summary: A hybrid electrochromic device combining hydrothermally synthesized tungsten oxide (WO3) films with electrodeposited polypyrrole was fabricated. The deposited thin films were characterized using various techniques before device fabrication. The resulting solid-state organic-inorganic electrochromic device exhibited reversible switching between coloration and bleaching states with minimal transmission loss and excellent cyclic stability. In-situ electrochemical studies showed enhanced switching speed and optical contrast, and the optimized device displayed enhanced coloration efficiency.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Nanoscience & Nanotechnology
Tanushree Ghosh, Suchita Kandpal, Chanchal Rani, Love Bansal, Manushree Tanwar, Rajesh Kumar
Summary: In this study, a versatile and easily processible electrochromic device based on polyaniline-Viologen (PANI-EV) was reported. The electrodes were individually characterized and the device showed improved electrochromic performance with fast switching time and good cycle life. The device could switch in visible, IR, and NIR regions with low bias voltage.
ADVANCED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Madhu Pandey, Pooja Shukla, Anu Manhas, Siddhi Kediya, Nao Tsunoji, Rajesh Kumar, Sarvesh S. Harmalkar, Sourav Das, Mahuya Bandyopadhyay
Summary: In this study, a binuclear zinc complex was synthesized and its structure was determined using single-crystal X-ray diffraction. Functionalized nano-porous materials were prepared and the binuclear zinc complex was grafted onto the modified materials, resulting in enhanced catalytic performance.
MOLECULAR CATALYSIS
(2023)
Article
Physics, Applied
Kritika Vijay, L. S. Sharath Chandra, Kawsar Ali, Archna Sagdeo, Pragya Tiwari, M. K. Chattopadhyay, A. Arya, Soma Banik
Summary: Topological quantum phenomena arise in Kagome semimetal CoSn due to the presence of Dirac fermions and flat bands, which result in novel transport properties. By doping Fe in CoSn, we investigated the magnetotransport and electronic properties. A large positive magnetoresistance (MR) of approximately 105% at 3K and 8T magnetic field was observed in CoSn. Fe doping in Co1-xFexSn leads to negative MR, with a large negative value for x = 0.2 (-8.4%), which decreases for x = 0.3 (-3.7%) and x = 0.4 (-2.7%). The tunability of MR properties in Co1-xFexSn is attributed to the changes in energy position of the localized flat band and the emergence of quasi-localized states near the Fermi level.
APPLIED PHYSICS LETTERS
(2023)
Article
Physics, Applied
T. R. Rajalekshmi, Vikash Mishra, Tejendra Dixit, Pankaj R. Sagdeo, M. S. Ramachandra Rao, K. Sethupathi
Summary: In this study, the origin of three energy gaps in lanthanum chromium oxide is analyzed using diffuse reflectance spectroscopy. The results show charge-transfer and d-d transitions as the sources of the gaps. The use of Tanabe-Sugano diagram and absorption spectrum helps in understanding the spin allowed and parity forbidden transitions. The findings have significant implications in laser applications and the development of optoelectronic devices.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Pooja Pant, Harshit Agarwal, Suresh Bharadwaj, Sachin Srivastava, Archna Sagdeo, M. A. Shaz
Summary: The effect of improved dielectric properties in the presence of an applied magnetic field is discussed in poly-crystalline Gd0.55Pr0.45MnO3 complemented by the structural and magnetic properties. Enhanced dielectric permittivity and low dielectric loss represent the strongly field-dependent dielectric behavior of the sample. The structural characterizations confirm the orthorhombic symmetry and lack of structural transition at lower temperatures.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Physical
Manushree Tanwar, Chanchal Rani, Suchita Kandpal, Tanushree Ghosh, Puspen Mondal, Rajesh Kumar
Summary: This study reports the coexistence of intermediate amorphous-like and nanocrystalline phases in a silicon wafer fabricated using metal-assisted chemical etching. In addition, the origin of amorphous-like features in the Raman spectrum from porous silicon is established using spatial Raman spectroscopy and validated using longitudinal Raman spectro-microscopy. The coexisting a-Si/nanocrystalline Si phases are characterized using SEM, TEM, XRD, and Raman spectro-microscopy, which reveal structural variation in fractal Si obtained because of porosification.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Love Bansal, Chanchal Rani, Tanushree Ghosh, Suchita Kandpal, Sandeep Chhoker, Manushree Tanwar, Rajesh Kumar
Summary: A mesoporous nickel titanate-titanium oxide (m-NTTO) complex was synthesized using a sol-gel method for making a solid-state binder-free supercapacitor. Characterization of the m-NTTO sample showed excellent energy storage capabilities. A prototype solid-state symmetric supercapacitor device fabricated using this material demonstrated excellent electrochemical performance.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Nanoscience & Nanotechnology
Saurabh Rawat, Priyanka Bamola, Chanchal Rani, Vishakha Kaushik, Ujjwal Kumar, Charu Dwivedi, Rekha Rattan, Mohit Sharma, Rajesh Kumar, Himani Sharma
Summary: In the quest for effective sensors that operate at room temperature, molybdenum disulfide (MoS2) and MoS2-based hybrids have emerged as potent materials. This study describes the fabrication of Au-MoS2 hybrid gas sensors for detecting harmful CO and NH3 gases at room temperature. It is observed that by varying the size of Au nanoparticles, the crystallinity gets modified, resulting in enhanced sensing response. The Au-MoS2 hybrid shows a significant improvement in sensing response compared to bare MoS2, allowing for the development of efficient gas sensors that respond quickly to changes in the gas around them.
Article
Materials Science, Multidisciplinary
Devesh K. Pathak, Tanushree Ghosh, Suchita Kandpal, Chanchal Rani, Rajesh Kumar
Summary: The fabrication of a solid state device by combining two different conducting polymers, polyaniline (PANI) and polythiophene (P3HT), enables the display of three primary colors in a single system. The electrochromic properties are demonstrated on both electrodes, achieved by selecting an appropriate bias. The device delivers faster switching (500 ms) and better coloration efficiency up to 540 cm2/ C, thanks to the complementary redox activity of the PANI and P3HT electrodes.
Article
Chemistry, Physical
Deb Kumar Rath, Chanchal Rani, Love Bansal, Suchita Kandpal, Tanushree Ghosh, Bhumika Sahu, Rajesh Kumar
Summary: A study on the size-dependent variation in Raman spectral parameters of silicon (Si) has been conducted. It has been found that the peak position and peak width of acoustic phonons show opposite trends with the size of Si nanoclusters, while the behavior of optic phonons is different. The differences between acoustic and optic phonon branches are explained through correlation analysis.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Review
Physics, Multidisciplinary
Chanchal Rani, Manushree Tanwar, Tanushree Ghosh, Suchita Kandpal, Shailendra K. Saxena, Rajesh Kumar
Summary: Raman spectroscopy, discovered in 1928, has become an extremely important analytical tool and has shown capabilities to obtain information about non-traditional physical processes in materials. Temperature dependent Raman spectra have revealed both anharmonic effects and nonlinear trends, which can be influenced by factors such as band structure, doping concentration, and film thickness.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
A. Tripathy, K. Gautam, K. Dey, S. R. Sahu, A. Ahad, A. Upadhyay, A. Sagdeo, S. Francoual, P. J. Bereciartua, I. Gudim, J. Strempfer, V. G. Sathe, D. K. Shukla
Summary: Rare-earth iron borates have attracted considerable interest due to their complex structural and magnetic properties. In this study, the structural phase transition and element-specific magnetic ordering behavior of Ho0.5Nd0.5Fe3(BO3)4 below its antiferromagnetic transition temperature are investigated. The results indicate that the spontaneous electric polarization in this compound emerges through the p-d hybridization mechanism associated with the FeO6 octahedra.
Article
Chemistry, Multidisciplinary
Ravindra Kumar, Vikash Mishra, Tejendra Dixit, Prahalad Kanti Barman, Pramoda K. Nayak, M. S. Ramachandra Rao
Summary: Mono-layer transition metal dichalcogenides (TMDCs) are promising materials for studying many-body physics due to their low dimensionality and strong Coulomb interaction. The van der Waals (vdW) heterostructures (HSs) of TMDCs provide an additional degree of freedom for altering the properties of 2D materials. In this study, vdW HSs (& alpha;-MoO3/MoS2) were synthesized and their temperature-dependent photoluminescence (PL) spectra were investigated. The emergence of a new PL peak in the low-energy regime was attributed to the formation of a positive trion, which was confirmed by power and wavelength-dependent Raman and PL studies.
Article
Chemistry, Multidisciplinary
Monika Nehra, Rajesh Kumar, Neeraj Dilbaghi, Sandeep Kumar
Summary: In recent years, the excessive exposure of antibiotics to humans and the environment has raised concerns about antibiotic pollution. However, the existing instrument-dependent and time-consuming conventional detection methods are not suitable for real-time antibiotic detection in the field. This study synthesized two Cu-based metal-organic frameworks (Cu-btc) with the same stoichiometry under different reaction conditions. The Cu-MOF2 produced through the hydrothermal approach exhibited better structural and crystalline properties than Cu-MOF1 prepared under normal laboratory conditions. The high peroxidase-like activity of Cu-MOF2 was utilized to develop a colorimetric assay for the detection of tetracycline in water.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Alaauldeen A. Duhduh, Chou-Yi Hsu, Mustafa Humam Sami, Anupam Yadav, Russul Thabit, Sagr Alamri, Abdelmajeed Adam Lagum, Ali A. Rajhi
Summary: Density functional theory (DFT) calculations were used to investigate the application of a Zn12O12 nanocage as an anode material in Na-ion batteries (NIBs). The pure nanocage showed low performance, but encapsulating a chloride led to a significant increase in voltage, surpassing carbon nanotubes and C24 fullerene.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Hiroyuki Ikemoto, Toshihiko Fujimori, Takafumi Miyanaga, Reo Kawaguchi, Koki Urita, Masao Tabuchi
Summary: This study investigated the structures of two Se chains confined inside single-walled carbon nanotubes (SWCNTs), revealing that the chains were linear and parallel. The covalent bond between Se and SWCNT was found to be stronger than that between Se and trigonal Se (t-Se). The interaction between chains was attributed to the overlap of electronic orbitals, and the disappearance of this overlap in the encapsulated Se chains enhanced the covalent bonds.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Suman Yadav, Atul Gour, Sadhna Singh
Summary: In this study, we investigated the electronic and thermoelectric properties of rare-earth half-Heusler XPtBi (X = Gd, Nd, Y) topological semimetals compounds using density functional theory. Our results indicate that the inclusion of spin orbit coupling has a significant impact on the electronic band structure and spin order, making it promising for spintronic applications. We found different topological states in these compounds and observed enhanced power factor in YPtBi with the inclusion of SOC.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Takahiro Ozawa, Hiroshi Nakanishi, Koichi Kato, Ryota Shimizu, Taro Hitosugi, Katsuyuki Fukutani
Summary: In this study, we elucidate the hopping mechanism of hydrogen at intermediate temperature using a combination of experimental data and theoretical calculations. We find that the transition from thermal hopping to quantum tunneling is attributed to resonant tunneling, which is achieved through the resonant tunneling of discrete vibrational states between the edge octahedral site and the tetrahedral site. We also demonstrate that the tunneling rate can be tuned by energy level matching.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Ankita Nandi, Ritam Mehera, Moumita Mandal, Paramesh Chandra, Swapan K. Mandal, Naznin Ara Begum, Chandan K. Jana, Nilanjana Das
Summary: In this study, stable biogenic ZnO nanoparticles were successfully synthesized using a biosynthesis method, and their effects on oxidative stress parameters in Saccharomyces cerevisiae were investigated. The results demonstrate that high concentrations of ZnO nanoparticles may induce oxidative stress conditions, suggesting caution in their extensive use.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
P. S. Dighe, A. A. Bhoite, V. L. Patil, N. L. Tarwal, P. B. Sarawade
Summary: In this study, Ni-Co layered double hydroxide (LDH) nanocomposites with excellent electrochemical properties were prepared using hydrothermal technique. The as-obtained material exhibited high specific capacitance and remarkable energy density, showing great potential for supercapacitor applications.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Muhammad Danish, Misbah ul Islam, Farooq Ahmad, M. Nadeem Madni, M. Jahangeer
Summary: This study synthesized M-type hexaferrite and graphene oxide using sol-gel auto-combustion and modified Hummer process. The structure and morphology of the materials were characterized by XRD and SEM. The experimental results showed that coupling magnetic ferrite with graphene oxide can tune the electromagnetic properties of the materials, with potential applications in various fields.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Abrar U. Hassan, Yuchuan Li
Summary: This study presents a new design strategy of N-doped fused ring electron acceptors for organic dye Y123 in photovoltaic and optical devices. The evaluation of five novel dyes shows their positive contributions to charge transfer. Impressive photovoltaic performance is observed in one of the dyes, with high light harvesting efficiency and maximum power output.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Ashvin Kanzariya, Shardul Vadalkar, Sourav Kanti Jana, L. K. Saini, Prafulla K. Jha
Summary: Graphene quantum dots (GQDs) with quantum confinement and size effects show great potential for sensing applications. This computational study investigates the adsorption performance of pristine and transition metal-doped coronene GQDs to hazardous gases. The results suggest that doping with chromium (Cr) or nickel (Ni) enhances the gas adsorption performance, with Cr-doped GQDs showing strong interaction with gas molecules and potential as a gas remover, and Ni-doped GQDs showing potential as a CNCl sensor.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Vladimir V. Poborchii, Victor A. Sachkov, Alexander A. Shklyaev, Alexander V. Fokin, Pavel I. Geshev
Summary: This study investigates the polarized optical absorption and Raman spectra of -5 nm diameter tellurium nanowires confined in chrysotile asbestos nanotubes. The results show a strong interaction between the nanowires and light polarized parallel to the nanowires, while a weaker interaction is observed for light polarized perpendicular to the nanowires. This has significant implications for photonic and photo-electric applications.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Stanislav Cichon, Frantisek Maca, Vaclav Drchal, Katerina Horakova, Irena Kratochvilova, Jan Lancok, Vladimir Chab, Patrik Cermak, Jiri Navratil, Cestmir Drasar
Summary: In this study, a reliable method for preparing high-quality single crystal substrates doped with Bi2Se3 was developed. The electronic properties and chemical states of atoms in the substitutional position and native defects in the topological insulator were analyzed using experimental and theoretical methods. The relationship between the position of the Dirac cone and valence band maximum was explored and discussed.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Ikkurthi Kanaka Durga, Dasha Kumar Kulurumotlakatla, Tholkappiyan Ramachandran, Yedluri Anil Kumar, D. Amaranatha Reddy, K. V. G. Raghavendra, Asma A. Alothman, Sunkara Srinivasa Rao
Summary: Nickel molybdate oxide and tungsten trioxide have potential as electrode materials for supercapacitors, but their poor conductivity and fast capacitance fading limit their performance. By building a hierarchical nanoflower structure, the electrochemical performance of the supercapacitor is enhanced.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Elnaz Saadinia, Mohammad Almasi Kashi, Amir H. Montazer
Summary: Fe-based nanowires containing nonmagnetic elements, fabricated using a pulse electrodeposition method in porous anodic alumina membranes, exhibit magnetic tunability. The magnetic properties of Fe100-xSnx NW arrays, with a diameter of about 35 nm, such as coercivity and squareness values, decrease with increasing Sn content. The structure of the FeSn NWs, dominated by Fe or FeSn alloy crystal phase, can be either single domain or pseudo-single domain states depending on the Sn content.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Xinkai Liu, Tingting Liu, Yuanliang Zhou, Jing Wen, Jinmei Dong, Chenggong Chang, Weixin Zheng
Summary: CuS-Mg/S-BC composites modified by one-pot sulfurization exhibited higher removal efficiency in adsorption and photocatalytic removal of dyes, thanks to the functional groups and vacant sites formed at the interface for enhanced adsorption and photon capture.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)
Article
Chemistry, Multidisciplinary
Yixing Hao, Fang Zhu, Hao Cheng, Sridhar Komarneni, Jianfeng Ma
Summary: A magnetic porous composite catalyst synthesized from CoFe2O4 and CuS showed high degradation efficiency for organic pollutants under visible light conditions, using non-radical degradation as the main pathway.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2024)