Article
Chemistry, Inorganic & Nuclear
V. F. de Paula, M. I. F. Guedes, M. F. van Tilburg, I. G. P. Vieira, J. B. Silva, R. C. R. dos Santos, J. P. Echeverry, G. Costa, B. P. Silva, F. F. Maia, E. W. S. Caetano, V. N. Freire
Summary: UV-vis optical absorption measurements and Density Functional Theory (DFT) calculations were used to study the optical properties and electronic structure of ethanol solvated quercetin molecule and different hydrated forms of quercetin crystals. The results showed that anhydrous quercetin exhibited semiconductor behavior with a large direct bandgap, while hydrated forms had smaller indirect bandgaps and showed optical anisotropy.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Z. Zerrougui, M. A. Ghebouli, T. Chihi, Sameh Ahmed, L. Krache, B. Ghebouli, M. Reffas, M. Fatmi
Summary: The crystal structure and properties of the C14H12Br2S3 molecule were investigated, showing that the lattice parameters calculated using the LDA/CA-PZ method are in better agreement with experimental values. The band gap energy and Mulliken charges were also calculated.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Chemistry, Multidisciplinary
Adel M. El Sayed, S. Saber
Summary: In this study, high purity NiO nanoparticles were prepared and introduced into a CMC-PVP blend. The results showed that the dispersion of NiO nanoparticles inside the blend and their complexation with the functional groups in the blend influenced the film structure. The introduction of NiO nanoparticles also resulted in reduced transparency and modified reflectivity of the films. Additionally, the NiO nanoparticles improved the conductivity and refractive index of the films.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Physical
Lin-jie Yang, Wenye Xuan, David Webster, Lethy Krishnan Jagadamma, Teng Li, David N. Miller, David B. Cordes, Alexandra M. Z. Slawin, Graham A. Turnbull, Ifor D. W. Samuel, Hsin-Yi Tiffany Chen, Philip Lightfoot, Matthew S. Dyer, Julia L. Payne
Summary: One of the advantages of organic-inorganic metal halides is their highly tuneable structures and properties, which are important for optimizing materials for photovoltaics and optoelectronic devices. In this study, bromine was included in a layered perovskite to induce a decrease in band gap and a structural transition. The inclusion of bromine also resulted in the formation of a new band in the electronic structure and a significant increase in mobility and/or carrier concentration. This work highlights the potential of molecular inclusion as a tool to tune the electronic properties of layered organic-inorganic perovskites.
CHEMISTRY OF MATERIALS
(2023)
Article
Biochemical Research Methods
John S. Cognetti, Daniel J. Steiner, Minhaz Abedin, Michael R. Bryan, Conor Shanahan, Natalya Tokranova, Ethan Young, Alanna M. Klose, Alexander Zavriyev, Nicholas Judy, Brian Piorek, Carl Meinhart, Raymond Jakubowicz, Harold Warren, Nathaniel C. Cady, Benjamin L. Miller
Summary: This study presents a new disposable photonics sensor platform for detecting human antibodies, which is simple and low-cost, and is expected to be widely used in clinical diagnostics.
Article
Physics, Applied
Sachin R. Rondiya, Robert A. Jagt, Judith L. MacManus-Driscoll, Aron Walsh, Robert L. Z. Hoye
Summary: Semiconductors based on bismuth halides are gaining attention for their low toxicity, high stability, and easy processability. Their performance is influenced by electron-phonon interactions, which can impact optoelectronic properties and device performance.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Hye Ri Jung, Maryam Bari, Yunae Cho, Yeon Soo Kim, Trang Thi Thu Nguyen, Yejin Kim, Seokhyun Yoon, Young Chan Jo, Jae Hoon Kim, Shavkat Yuldashev, Zuo-Guang Ye, William Jo
Summary: This study investigates the excitonic behaviors of CH3NH3PbCl3 perovskite single crystal, revealing the free and bound excitonic transitions through temperature- and power density-dependent photoluminescence and optical transmission spectra. Different structural phases of the perovskite show distinct excitonic behaviors, contributing to the understanding of optoelectronic properties and potential applications in photonic devices. Excitonic phenomena in perovskite materials offer a fundamental approach for the development of optoelectronic applications.
APPLIED PHYSICS LETTERS
(2021)
Article
Materials Science, Multidisciplinary
D. Spassky, F. Fedyunin, E. Rubtsova, N. Tarabrina, V. Morozov, P. Dzhevakov, K. Chernenko, N. Kozlova, E. Zabelina, V. Kasimova, O. Buzanov
Summary: This study investigates the structural, optical, and luminescent properties of undoped and doped Gd3AlxGa5-xO12 and Gd2YAl2Ga3O12 mixed crystals, including their composition, lattice parameters, refractive coefficients, optical band gaps, and emission centers.
Article
Materials Science, Multidisciplinary
Zhuo Yang, Xueting Wang, James Felton, Zakhar Kudrynskyi, Masaki Gen, Toshihiro Nomura, Xinjiang Wang, Laurence Eaves, Zakhar D. Kovalyuk, Yoshimitsu Kohama, Lijun Zhang, Amalia Patane
Summary: The SnSe2(1-x)S2x alloy is a van der Waals semiconductor with tunable electronic properties, showing promise for applications in electronics, thermoelectrics, and superconductivity. Research reveals a large electron-hole reduced cyclotron mass and pronounced anisotropy of carrier effective masses.
Article
Engineering, Electrical & Electronic
Abhishek Yadav, Mohammad Rahil, Shahab Ahmad
Summary: Incorporation of alkali metal ions improves the properties of metal-halide perovskite crystals, but their intrinsic structural instability limits their use in optoelectronics. Quasi-two-dimensional (2D) metal halide perovskites have shown promise due to tunable energy band gaps and higher charge carrier transport. Incorporation of Rb+ in a quasi-2D perovskite further enhances crystal growth and improves charge transport.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Abhishek Yadav, Mohammad Rahil, Shahab Ahmad
Summary: Incorporation of alkali metal ions into 3D metal-halide perovskite crystal structures improves their crystallinity and film morphology, reduces trap density, and enhances charge carrier transport. However, their structural instability hinders their suitability for real device optoelectronics.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Computer Science, Information Systems
Bahman Arasteh, Razieh Sadegi, Keyvan Arasteh, Peri Gunes, Farzad Kiani, Mahsa Torkamanian-Afshar
Summary: This study aims to solve the software module clustering problem using the proposed Olympiad optimization algorithm. The experimental results show that the algorithm outperforms previous approaches in terms of modularization quality, convergence, and stability, and can efficiently solve other discrete optimization problems.
JOURNAL OF KING SAUD UNIVERSITY-COMPUTER AND INFORMATION SCIENCES
(2023)
Article
Engineering, Multidisciplinary
Fusheng Qiu, Hongliang Liu, Hongjuan Zhao
Summary: This paper proposes a feature modeling approach for 3D structural topology design optimization with feature constraints. The method is flexibly applied to structural design optimization with added holes by changing constraint factors, enabling more direct and easier design of structures with predetermined features.
CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES
(2021)
Article
Chemistry, Physical
Ibtihal M. Alsalamah, Amiruddin Shaari, Norah A. M. Alsaif, Shehu Aminu Yamusa, G. Lakshminarayana, Najeh Rekik
Summary: In this study, the structural, optical, and electronic properties of RbPbX3 (where X is Cl or F) perovskite crystals were investigated using computational methods. The aim was to explore innovative perovskite materials for use in solar cells, as perovskite crystals have shown remarkable improvement in power conversion efficiency (up to 25% to date). The optimal lattice constants and lowest total energy of the two perovskite crystals were determined, and their electronic properties, absorption coefficients, refractive index, and conductivity were analyzed. The study revealed the great potential of these perovskite crystals for solar cell applications.
Article
Psychology, Multidisciplinary
Huy P. Phan, Bing H. Ngu
Summary: The study tested a theoretical-conceptual model that introduced the concept of psychological processes and examined the effects of social experiences on students' psychological processes, motivation, and adaptive outcomes. Results showed that psychological processes consist of three psychological attributes and serve as predictors of motivation and engagement in adaptive outcomes. Additionally, measured indicators like personal resolve and self-efficacy also had positive effects on adaptive outcomes.
FRONTIERS IN PSYCHOLOGY
(2021)
Article
Biochemistry & Molecular Biology
Pedro F. N. Souza, Jackson L. Amaral, Leandro P. Bezerra, Francisco E. S. Lopes, Valder N. Freire, Jose T. A. Oliveira, Cleverson D. T. Freitas
Summary: Through in silico methods, it was found that ACE2-derived peptides could potentially interfere with the interaction between SARS-CoV-2 and the ACE2 receptor, inhibiting virus entry into human cells and providing new directions for treating COVID-19.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Jackson L. Amaral, Jose T. A. Oliveira, Francisco E. S. Lopes, Cleverson D. T. Freitas, Valder N. Freire, Leonardo V. Abreu, Pedro F. N. Souza
Summary: This study identified three synthetic peptides that strongly interact with the main protease of SARS-CoV-2, potentially affecting its activity and virus replication. These peptides have no toxicity to human cells and could offer new perspectives in the treatment of COVID-19.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Spectroscopy
Jose Barbosa Silva, Gabriel Costa, Mauricelio Bezerra da Silva, Stefane Nunes Costa, Regina Claudia Rodrigues dos Santos, Francisco Adilson Matos Sales, Antoninho Valentini, Ewerton Wagner Santos Caetano, Valder Nogueira Freire
Summary: The study shows the importance of dispersion-corrected solid-state calculations for describing the vibrational properties of molecular crystals, rather than considering only a single isolated molecule. The GABA monoclinic polymorph reveals valuable information about its vibrational characteristics.
JOURNAL OF RAMAN SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Luciana M. Sergio, Yandara A. Martins, Jackson L. Amaral, Victor L. B. Franca, Camila F. de Freitas, Antonio Medina Neto, Noboru Hioka, Maria Ravanelli, Cecilia Mareze-Costa, Silvio Claudio da Costa, Valder N. Freire, Kellen Brunaldi
Summary: The study found that steviol and its glycosides interact with bovine serum albumin, involving spontaneous binding reactions with hydrogen bonds and van der Waals interactions as well as water reorganization around the complex. The findings suggest that steviol's enhanced hydrophobicity and small size compared to its derivatives may favor its binding to BSA.
CHEMICO-BIOLOGICAL INTERACTIONS
(2021)
Article
Medicine, Research & Experimental
Jackson L. Amaral, Pedro F. N. Souza, Jose T. A. Oliveira, Valder N. Freire, Daniele O. B. Sousa
Summary: The study analyzed the action mechanisms of the synthetic peptide Mo-CBP3-PepIII against Candida albicans, showing strong interaction with EXG at the active site, insertion into the yeast membrane, induction of cracks and scars in the cell wall, and pore formation on the Candida membrane. Mo-CBP3-PepIII has strong potential as a new drug with a broad spectrum of action due to its different mode of action compared to conventional drugs.
Article
Microbiology
Ito Liberato, Leticia A. Lino, Juan K. D. Souza, Joao B. A. Neto, Livia G. A. Sa, Vitoria P. F. Cabral, Cecilia R. Silva, Bruno C. Cavalcanti, Manoel O. Moraes, Valder N. Freire, Hello V. N. Junior, Claudia R. Andrade
Summary: The antifungal activity of gallic acid against fluconazole-resistant Candida strains was evaluated, and its potential mechanism of action was determined.
FUTURE MICROBIOLOGY
(2022)
Article
Chemistry, Inorganic & Nuclear
V. F. de Paula, M. I. F. Guedes, M. F. van Tilburg, I. G. P. Vieira, J. B. Silva, R. C. R. dos Santos, J. P. Echeverry, G. Costa, B. P. Silva, F. F. Maia, E. W. S. Caetano, V. N. Freire
Summary: UV-vis optical absorption measurements and Density Functional Theory (DFT) calculations were used to study the optical properties and electronic structure of ethanol solvated quercetin molecule and different hydrated forms of quercetin crystals. The results showed that anhydrous quercetin exhibited semiconductor behavior with a large direct bandgap, while hydrated forms had smaller indirect bandgaps and showed optical anisotropy.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Victor L. B. Franca, Jackson L. Amaral, Yandara A. Martins, Ewerton W. S. Caetano, Kellen Brunaldi, Valder N. Freire
Summary: Atrazine, a widely used herbicide, has been found to cause persistent contamination of water and soil due to its high resistance to degradation. It is associated with fertility issues, increased risk of prostate cancer, and birth defects. This study characterizes the binding of atrazine to human serum albumin (HSA) and identifies the most likely binding sites and the amino acid residues involved in the binding interactions.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Valdir Ferreira de Paula Junior, Mauricio Fraga van Tilburg, Pablo Abreu Morais, Francisco Francine Maia Junior, Elza Gadelha Lima, Victor Tabosa dos Santos Oliveira, Maria Izabel Florindo Guedes, Ewerton Wagner Santos Caetano, Valder Nogueira Freire
Summary: In this study, the co-crystallized structures of the Zika virus protease NS2B-NS3 with two inhibitors were evaluated. The results suggest that quantum biochemistry methods hold promise for the design of novel inhibitors targeting NS2B-NS3.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Bruno P. Silva, Antonio G. L. Costa, Mauricelio B. da Silva, Ambrosio M. Cunha, Regina C. R. Santos, Antoninho Valentini, Geancarlo Zanatta, Pedro de Lima-Neto, Ewerton W. S. Caetano, V. N. Freire
Summary: This study investigates the structural, electronic, and optical properties of DMF using density functional theory (DFT). The results show that the delta-sol correction method improves the estimation of the band-gap energy from DFT calculations. Additionally, simulations of a monolayer and crystal form of DMF demonstrate that intermolecular interactions decrease the electronic energy gap.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Inorganic & Nuclear
Jose Barbosa Silva, Juan Pablo Echeverry, Regina Claudia Rodrigues dos Santos, Valdir Ferreira de Paula Jr, Maria Izabel Florindo Guedes, Bruno Poti e Silva, Antoninho Valentini, Ewerton Wagner Santos Caetano, Valder Nogueira Freire
Summary: This study presents the growth of monoclinic gamma-aminobutyric acid (GABA) crystals from an aqueous ethanol solution. The crystal structure was confirmed to be monoclinic with space group P21/c using X-ray diffraction analysis. Thermal stability and melting point of the GABA crystal were investigated. Experimental characterization and DFT calculations were performed to understand the optical properties of GABA crystals. The monoclinic GABA crystal was found to have an indirect band gap semiconductor behavior with a gap value of 5.02 eV and the highest optical absorption in the 5-6 eV energy range.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Review
Virology
Maria Karolaynne da Silva, Daniel Melo de Oliveira Campos, Shopnil Akash, Shahina Akter, Leow Chiuan Yee, Umberto Laino Fulco, Jonas Ivan Nobre Oliveira
Summary: This article reviews the advances of reverse vaccinology in designing mRNA vaccines against SARS-CoV-2, discussing the steps, in silico tools, challenges, and future directions for improvement.
Article
Chemistry, Multidisciplinary
Eveline M. Bezerra, Erika C. de Alvarenga, Ricardo P. dos Santos, Jeanlex S. de Sousa, Umberto L. Fulco, Valder N. Freire, Eudenilson L. Albuquerque, Roner F. da Costa
Summary: Losartan, a widely used hypertension medication, acts as a selective antagonist of angiotensin II receptor to reduce blood pressure. In this study, we investigated the interaction between losartan and sACE enzyme using molecular docking assays and quantum biochemistry calculations. Our findings reveal a new mechanism of action that has important implications for understanding the effects of losartan on hypertension.
Article
Chemistry, Physical
J. F. Vianna, K. S. Bezerra, A. H. Lima Costa, E. D. Barbosa, J. X. Lima Neto, J. I. N. Oliveira, V. N. Freire, U. L. Fulco
Summary: Ethionamide requires bioactivation by monooxygenase EthA and is controlled by transcriptional repressors EthR and EthR2. Inhibitors BDM76060 and BDM76150 have been found to produce stronger inhibitory effects by interacting more effectively with the protein.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
Xing Haixia, Aline Oliveira da Silva de Barros, Francisco do Vale Chaves e Mello, Fan Sozzi-Guo, Cristina Mueller, Sara Gemini-Piperni, Luciana Magalhaes Rebelo Alencar, Francisco Francine Maia Jr, Valder Nogueira Freire, Frederico Duarte de Menezes, Veronica Aran, Sylvie Devalle, Vivaldo Moura-Neto, Eduardo Ricci-Junior, Eliete Bouskela, Konstantin Pikula, Kirill Golokhvast, Ralph Santos-Oliveira
Summary: The study evaluated the properties and effects of graphene using various experimental methods, showing genotoxicity impact but low cytotoxicity on human glioblastoma cells. Pharmacokinetic analysis demonstrated high plasma concentration. Ecotoxicological evaluation indicated adverse effects on organisms exposed to graphene such as uptake and generation of reactive oxygen species.
JOURNAL OF BIOMEDICAL NANOTECHNOLOGY
(2021)
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)