Article
Chemistry, Multidisciplinary
Dominik Kurzydlowski, Mariana Derzsi, Eva Zurek, Wojciech Grochala
Summary: The silver-fluorine phase diagram under external pressure has been studied using theoretical methods. New stoichiometries, Ag3F4 and Ag2F3, containing Ag+ and Ag2+ cations, were found to be thermodynamically stable at ambient and low pressure. The compound AgF4 was predicted to be paramagnetic and metallic under high pressure conditions.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Feng Gu, Shu Wang, Chen Zhang, Xue Yu, Ji-Bing Sun, Ying Zhang, Chun-Xiang Cui
Summary: The addition of low melting point Ga alters the crystallization process and microstructure of Nd13.65Fe74.15B5.6Co6.6 ribbons, resulting in improved glass-forming ability and enhanced magnetic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Jie Mu, Ke Xu, Lei He, Tijian Yin, Yan Xu, Jintao Men, Qiong Ye
Summary: Hybrid perovskites with mixed organic cations, such as phosphonium and ammonium cations, have rarely been reported due to specific size requirements. In this study, an organic-inorganic hybrid perovskite (Me3PCH2CH2CH3)2(CH3CH2CH2NH3)Sb2Br9 (1) with [Me3PCH2CH2CH3]+ and [CH3CH2CH2NH3]+ cations was synthesized. Compound 1 showed improved phase transition temperature and thermal stability compared to hybrid perovskites with only one type of organic cation. The disorder of [CH3CH2CH2NH3]+ cations and the twisting motion of [Me3PCH2CH2CH3]+ cations and the inorganic skeleton were identified as the main factors for the phase transition of 1 at high temperatures. Furthermore, 1 exhibited semiconductor properties with an optical band gap of 2.945 eV, indicating its potential as a functional perovskite material with mixed organic cations.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Lukasz Wolanski, Marvin Metzelaars, Jan van Leusen, Paul Koegerler, Wojciech Grochala
Summary: The pressure-induced phase transitions of (MAgF3)-Ag-I-F-II perovskites have been theoretically predicted for the first time up to pressures of 100 GPa. Different from CsAgF3 which undergoes a single phase transition, the transitions for M=K and Rb involve a sequence of transformations from orthorhombic to monoclinic and back to orthorhombic, associated with bending and approaching of infinite chains of [AgF6](4-) octahedra.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Physical
M. T. Candela, F. Aguado, J. Gonzalez-Lavin, J. A. Gonzalez, R. Valiente
Summary: The high-pressure behavior of cubic Tb2O3 phase (C-type) was investigated using in situ photoluminescence and Raman spectroscopy. The results showed a structural phase transition sequence of Tb2O3 from cubic to monoclinic to trigonal under pressure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Xiang Chi, Ziqiang Chen, Shu Wang, Tengyu Guo, Jinzhi Li, Jibing Sun, Ying Zhang
Summary: This paper investigates the relationship between microstructure and magnetic properties of a new Sm3Co11B4-type alloy with ultra-high coercivity. The addition of a small amount of Fe changes the microstructure from equiaxed to strip-like morphology, leading to a higher coercivity and magnetization. However, with further increase in Fe content, a new phase is formed, causing the microstructure to change from strip-shaped to equiaxed and reducing the coercivity. The underlying mechanism is revealed through the microstructure evolution in connection with magnetic properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
E. Burzo, P. Vlaic, D. P. Kozlenko, A. V. Rutkauskas
Summary: The study reveals that pressure affects the crystal structure and magnetic properties of RCo2 compounds, with Co magnetic moment being more sensitive to pressure at lower pressures. Depending on the exchange interactions between R and Co sublattices, their magnetizations can decouple or collapse at the same Curie temperature. The experimental data are correlated with the presence of internal fields as determined by pressure and temperature, as well as external fields.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Multidisciplinary Sciences
Ae Ran Lim, Sun Ha Kim, Yong Lak Joo
Summary: The physical properties of organic-inorganic hybrid crystals with the formula [ NH3(CH2)(3)NH3 ] ZnX4 (X=Cl, Br) were investigated, including phase transition temperatures and thermodynamic properties. The structural dynamics, particularly the role of the [ NH3(CH2)(3)NH3 ] cation, were probed through H-1 and C-13 magic-angle spinning nuclear magnetic resonance spectroscopy. The differences in structural dynamics between the two compounds were attributed to differences in bond lengths and halogen atoms, providing insights for potential applications of these crystals.
SCIENTIFIC REPORTS
(2021)
Article
Chemistry, Physical
Z. A. Matysina, N. A. Gavrylyuk, M. T. . Kartel, A. Veziroglu, T. N. Veziroglu, A. P. Pomytkin, D. V. Schur, T. S. Ramazanov, M. T. Gabdullin, An. D. Zolotarenko, Al. D. Zolotarenko, N. A. Shvachko
Summary: A statistical theory was developed for hydrogenation and phase transitions in the MgCeCo4-H-2 system under pressure. The study calculated free energy values, obtained the equation of thermodynamic equilibrium, estimated the temperature of the order-disorder phase transition, and constructed isotherms and Isoplethes of hydrogen absorption-desorption. The research also found a hysteresis effect and determined the temperature dependence of hydrogen solubility, with calculated and experimental graphs showing similar nature.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Review
Materials Science, Multidisciplinary
Akun Liang, Robin Turnbull, Daniel Errandonea
Summary: The goal of this review is to provide a comprehensive overview of the high-pressure behavior of iodates and their technological applications. Multiple characterization techniques, along with density functional theory calculations, are used to study the phenomena observed in iodates under external compression. The presence of lone electron pairs of iodine atoms is found to play a crucial role in the high-pressure behavior of iodates, affecting the character of iodine-oxygen bonds and causing nonlinear physical properties.
PROGRESS IN MATERIALS SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Hongyang Zhao, Haoran Fu, Zhao Hu, Qiuming Fu, Hong Tao, Jun Weng, Liwei Xiong, Zhenxiang Cheng
Summary: This study presents a novel class of hybrid organic-inorganic magnetic perovskites composed of metal ions and organic ligands, exhibiting magnetic properties.
Article
Geosciences, Multidisciplinary
Fei Qin, Dongzhou Zhang, Shan Qin
Summary: The study reveals the structural sequence of Cu2O under high pressure as cubic-tetragonal-monoclinic, with a novel monoclinic high-pressure phase observed for the first time. The monoclinic phase of Cu2O exhibits anisotropic compression, and its elastic properties differ significantly from the cubic phase.
FRONTIERS IN EARTH SCIENCE
(2021)
Article
Chemistry, Physical
Muhammad Alief Irham, Fahdzi Muttaqien, Satria Zulkarnaen Bisri, Ferry Iskandar
Summary: The study found that a single iron vacancy in hexagonal iron sulfide (h-FeS) could induce a midgap state, explaining the low experimental band gap value observed. A semiconductor-to-metal transition was observed in h-FeS with higher iron vacancy concentration showing better conductivity. Iron vacancies induced a magnetic moment on antiferromagnetic h-FeS, which could benefit the tuning of material's magnetic properties.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Thermodynamics
Imane Mahroug, Stefania Doppiu, Jean-Luc Dauvergne, Jean Toutain, Elena Palomo del Barrio
Summary: LiOH-LiBr binary system has been extensively studied using DSC and XRD experimental analysis. The research proposed a modified phase diagram that explains the observed discrepancies in the system. It also highlighted the potential application of Li-4(OH)(3)Br as a heat storage material in Direct Steam Generation CSP technology due to its higher volumetric latent heat storage capacity and lower volume changes during phase transitions.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Chemistry, Physical
P. S. Ghosh, I. Ponomareva
Summary: In this study, the response of three hybrid organic-inorganic perovskite materials to pressure was investigated using first-principles density functional theory calculations. It was found that all three materials exhibit negative linear compressibility above a critical pressure. The calculations revealed that under pressure, XO6 octahedra tilt significantly while -HCOO ligands remain relatively rigid, resulting in highly anisotropic mechanical properties and expansion along certain directions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Karl Ridier, William Nicolazzi, Lionel Salmon, Gabor Molnar, Azzedine Bousseksou
Summary: Molecular spin-crossover (SCO) compounds are a promising class of photoactive materials that exhibit efficient photoinduced phase transitions (PIPT). Through the study of the spatiotemporal dynamics of a single crystal PIPT within the thermodynamic metastability region, it was found that the PIPT occurs through the sequential activation of two switching mechanisms on sub-microsecond and millisecond timescales. The main discovery is that thermodynamic metastability has no influence on the sub-millisecond switching dynamics.
ADVANCED MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Miguel Gavara-Edo, Francisco Javier Valverde-Munoz, Rosa Cordoba, M. Carmen Munoz, Javier Herrero-Martin, Jose Antonio Real, Eugenio Coronado
Summary: In this study, three new neutral Fe(II) SCO molecules belonging to the {Fe[H2B(pz)(2)](2)(L)} family were synthesized, and their crystallographic structure and magnetic properties were investigated. These compounds exhibited thermal- and light-induced SCO transitions with different degrees of cooperativity and effectiveness. Furthermore, two of the compounds were demonstrated to be sublimable, forming homogeneous thin films that retained the chemical integrity of the original molecules. SCO/2D horizontal hybrid devices based on CVD-graphene were successfully produced using these films, enabling the detection of the thermal SCO transition through the electric properties of CVD-graphene.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Alejandro Orellana-Silla, Ruben Turo-Cortes, Victor Rubio-Gimenez, Carlos Bartual-Murgui, Rob Ameloot, Carlos Marti-Gastaldo, M. Carmen Munoz, Jose Antonio Real
Summary: This study investigates the influence of chemical functionalization on the magnetic and adsorption properties of porous Fe-II coordination polymers. The results show that the chemical functionalization leads to significant changes in the magnetic transition temperature and curve shape, as well as higher adsorption capacities. The structural reasons behind these variations are determined through single crystal-to-single crystal transformations.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Damian Paliwoda, Laure Vendier, Livia Getzner, Frederico Alabarse, Davide Comboni, Baptiste Martin, Seyed Ehsan Alavi, Mario Piedrahita Bello, Lionel Salmon, William Nicolazzi, Gabor Molnar, Azzedine Bousseksou
Summary: Two benchmark Fe(II)-triazole spin-crossover compounds, [Fe(Htrz)2trz]BF4 (1) and [Fe(NH2trz)3]SO4 (2), were investigated using various techniques to evaluate their transformation strain, compressibility, and anisotropy. Elastic softening and mechanical damping were observed during the spin-crossover process in both compounds, suggesting a coupling between spin state and lattice strain. The elastic potential energy, stored elastic work, and frictional work were assessed, providing important insights for understanding the behavior of this compound family and guiding their technological applications.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Inorganic & Nuclear
Maksym Seredyuk, Kateryna Znovjyak, Francisco Javier Valverde-Munoz, M. Carmen Munoz, Volodymyr M. Amirkhanov, Igor O. Fritsky, Jose Antonio Real
Summary: This paper reports a series of neutral trans-thiocyanate mononuclear spin crossover complexes based on tetradentate ligands L. These complexes exhibit thermal-induced spin crossover behavior and the formation of photo-generated metastable high-spin phases.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Sven Johannsen, Manuel Gruber, Cyrille Barreteau, Maksym Seredyuk, Jose Antonio Real, Troels Markussen, Richard Berndt
Summary: The behavior of the neutral spin crossover complex Fe(neoim)(2) on Au and Ag (111) surfaces was investigated. It was found that the complex exhibits an electron-induced spin crossover on Ag(111) but fragments on Au. Density functional theory calculations revealed that the adsorbed complex is significantly distorted by interactions with the substrates, particularly van der Waals forces. Dispersion interaction also plays a crucial role in the relative stabilities of the low- and high-spin states of the adsorbed complex. The unexpected instability of the complex on the gold substrate is attributed to enhanced covalent bonding of the fragments to the substrate.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Angel Fernandez-Blanco, Lucia Pineiro-Lopez, Monica Jimenez-Ruiz, Stephane Rols, Jose Antonio Real, Jose Sanchez Costa, Roberta Poloni, J. Alberto Rodriguez-Velamazan
Summary: In this study, the binding mechanism of CO and CO2 in Fe(pz)[Pt(CN)(4)] was investigated using neutron diffraction, inelastic neutron scattering, and density-functional theory calculations. Two adsorption sites were identified, and the configurations were consistent with the INS data. Spectral changes indicated a physisorption mechanism, supported by computed binding energy and molecular orbital analysis. This work highlights the strength of combining neutron techniques and DFT calculations to characterize gas adsorption mechanisms in similar materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Alejandro Martinez Serra, Archit Dhingra, Maria Carmen Asensio, Jose Antonio Real, Juan Francisco Sanchez Royo
Summary: Temperature dependent X-ray photoemission spectroscopy (XPS) was used to study the spin-crossover (SCO) transition in the nanocrystals of 3D Hoffman-like {Fe(pz)[Pt(CN)(4)]}. The temperature-dependent variations in the Fe 2p core-level spectrum provide clear evidence of the spin-state transition in this SCO complex. The lack of discernible temperature-driven shifts in the binding energies of the N 1s core-level components may be due to the immunity of its HS electronic configuration to thermal fluctuations. The high-spin fraction versus temperature plot extracted from XPS measurements indicates that the surface of the nanocrystals of {Fe(pz)[Pt(CN)(4)]} is in the high-spin state at room temperature, making it promising for room-temperature spintronics and quantum information science applications.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Alejandro Martinez Serra, Archit Dhingra, Maria Carmen Asensio, Jose Antonio Real, Juan Francisco Sanchez Royo
Summary: Temperature dependent X-ray photoemission spectroscopy (XPS) was used to study the Fe 2p and N 1s core levels of Fe(ii) spin crossover (SCO) complexes. The Fe 2p core-level spectra showed spin state transitions in these SCO complexes, consistent with previous studies. The temperature dependence of the N 1s core-level binding energy provided further insights into the ligand-to-metal charge transfer phenomenon.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Miguel Gavara-Edo, Francisco Javier Valverde-Munoz, M. Carmen Munoz, Safaa Elidrissi Moubtassim, Francisco Marques-Moros, Javier Herrero-Martin, Kateryna Znovjyak, Maksym Seredyuk, Jose Antonio Real, Eugenio Coronado
Summary: Materials based on spin crossover molecules have attracted significant attention in molecular magnetism. This study presents a novel spin crossover material that can form thermally stable thin films while retaining its molecular bistability.
CHEMISTRY OF MATERIALS
(2023)
Review
Materials Science, Multidisciplinary
Elif Tezel, Dag Kristian Sannes, Stian Svelle, Petra Agota Szilagyi, Unni Olsbye
Summary: This study reviews the progress of composite catalysts in the thermocatalytic conversion of CO2 to methanol. Through experimental and theoretical studies, the composition, defects, structural characteristics, and reaction conditions of the catalysts are correlated with their performance and stability. The obstacles in comparing the performance of these systems for CO2 hydrogenation are identified, and potential solutions and opportunities for further development are suggested.
MATERIALS ADVANCES
(2023)
Article
Materials Science, Multidisciplinary
Alejandro Orellana-Silla, Manuel Meneses-Sanchez, Ruben Turo-Cortes, Victor Rubio-Gimenez, Giel Arnauts, M. Carmen Munoz, Rob Ameloot, Carlos Bartual-Murgui, Jose Antonio Real
Summary: Functionalization of spin crossover porous coordination polymers (PCPs) with hydrogen-bonding active groups is an efficient strategy for the study of multifunctional materials. The interaction of guests with the host framework can improve the cooperativity of the spin crossover (SCO) and further enhance its properties. Comprehensive magneto-structural studies are still needed to understand the role of guests in the enhancement of the SCO properties.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Angel Fernandez-Blanco, Lorenzo A. Mariano, Lucia Pineiro-Lopez, Jose Antonio Real, Jose Sanchez Costa, Roberta Poloni, J. Alberto Rodriguez-Velamazan
Summary: Using neutron diffraction and density-functional theory calculations, it has been found that the pyrazine rings in the low-spin phase of Fe(pyrazine)[M-II(CN)(4)] adopt an ordered arrangement instead of a disordered distribution in two orthogonal positions. This finding has a significant impact on the spin-crossover transition due to the change in entropy contributions caused by the ordered arrangement of the rings.
Article
Materials Science, Multidisciplinary
Ruixin Li, Georgiy Levchenko, Francisco Javier Valverde-Munoz, Ana Belen Gaspar, Victor V. Ivashko, Quanjun Li, Wei Xu, Hennagii Fylymonov, Bingbing Liu, Jose Antonio Real
Summary: A comprehensive study was conducted on the temperature- and pressure-induced spin transition and change in physical properties of 2D Hofmann-type compounds [Fe(Fpz)(2)M(CN)(4)] (M = Pd, Ni; Fpz = F-pyrazine). It was found that a significant change in magnetic, vibrational, optical, and elastic properties occurred under pressure, and abnormal behavior of transition temperature and hysteresis was observed. The spin transition was induced by pressure in the paramagnetic compound [Fe(Fpz)(2)Ni(CN)(4)]. By combining elastic interaction and Monte Carlo models, a synergy effect of elastic and interaction energies as well as entropy was established, explaining the formation of various properties during spin transition.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Ruben Turo-Cortes, Manuel Meneses-Sanchez, Teresa Delgado, Carlos Bartual-Murgui, M. Carmen Munoz, Jose Antonio Real
Summary: This article reports the synthesis and characterization of unprecedented two-dimensional Coordination Polymers (HCPs) that exhibit spin crossover (SCO) and fluorescence. The SCO arises from the octahedrally coordinated Fe-II ions, while the fluorescence comes from the anthracene based ligands. The thermal properties, UV-Vis absorption spectroscopy, and structural studies reveal a multi-stepped nature of the SCO, which is modulated by the nature of the trapped guests.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
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)
