Article
Computer Science, Interdisciplinary Applications
Ying Guo, Jiali Wang, Xukai Zhang, Jun Li, Haojiang Zhao
Summary: The structural, mechanical, and thermodynamic properties of CaLi2 in the pressure range of 0-72GPa were investigated. It was observed that CaLi2 undergoes phase transitions from P63/mmc to C2/c at 25.37GPa and from C2/c to P21/c at 55.99GPa, which is consistent with previous experimental and theoretical findings. Additionally, a coexistence of P63/mmc and Fd-3m structures with the lowest enthalpy was observed at 0GPa, but P63/mmc phase becomes unstable at pressures larger than 6GPa. The elastic stability and thermodynamic properties under different pressures were also analyzed.
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
(2023)
Article
Physics, Multidisciplinary
Xiao-Yong Yang, Rajeev Ahuja, Wei Luo
Summary: Solid molecular hydrogen exhibits unique properties, such as the insulator-to-metal transition. However, the structure of phase III is still unclear. Based on experimental evidence, high-pressure hydrogen is observed to have a hexagonal close-packed lattice. In this study, the structure, energetic, mechanical, electronic, and thermodynamic properties of the P6122 structure as a potential candidate for phase III were systematically investigated. The findings indicate that phase III with P6122 space group is both mechanically and thermodynamically stable within the pressure range of 120-300 GPa, with enhanced bulk modulus, shear modulus, and Young's modulus. The band structures also show a transition from topological insulator to topological semiconductor to a Wely semimetal as pressure increases.
Article
Chemistry, Inorganic & Nuclear
Yong Tan, Limin Ma, Yishu Wang, Wei Zhou, Xiaolu Wang, Fu Guo
Summary: The structure stability, mechanical properties, and thermodynamic behaviors of Al4Si6La3 compound were investigated in a wide pressure range of 0-100 GPa using first-principles calculations based on density functional theory. The results showed that the compound was thermodynamically stable at 0 GPa but became unstable with increasing pressure. The compound exhibited ductile nature at pressures up to 100 GPa, and the Debye temperature and minimum thermal conductivity were improved with increasing pressure. The analysis of electronic structures revealed the formation of covalent bonds between Al-Si and La-Si in the compound, while Al-La formed antibonding states at different pressures.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Physics, Applied
P. John, M. Al Khalfioui, C. Deparis, A. Welk, C. Lichtensteiger, R. Bachelet, G. Saint-Girons, H. Rotella, M. Hugues, M. Grundmann, J. Zuniga-Perez
Summary: Single-crystalline Zn3N2 thin films were successfully grown on MgO and YSZ substrates with different orientations achieved depending on growth conditions. The films exhibited systematic n-type and degenerate behavior with varying carrier concentrations and electron mobilities, leading to optical bandgaps in the range of 1.05-1.37 eV. Hall effect measurements showed that ionized impurity scattering was the main limiting factor for mobility in the films.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Materials Science, Ceramics
Wu Qi, Bing Chen, Xiao Yang, Nian Liu, Zijian Jia, Wenrui Wang
Summary: This study systematically investigates the effects of four transition metal elements on the phase stability and properties of high-entropy diboride ceramics. The results show that the addition of Nb and Ti improves the mechanical properties of the ceramics, while the introduction of Cr and W weakens them. Furthermore, the high-entropy diboride ceramics containing Nb and Ti exhibit better high-temperature comprehensive performance.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Jianbing Yang, Yanjun Zhao, Mingjun Pang, Lingfeng Zhao, Cong Xie, Fenggui Wei, Xingzhi Pang
Summary: This study investigates the influence of pressure on the mechanical, thermodynamic, and electronic properties of orthorhombic and hexagonal Ti3Sn compounds using first-principles calculations. The results show that high pressure improves the elastic moduli of the orthorhombic phase and the bulk modulus of the hexagonal phase. Moreover, high pressure enhances the Debye temperature and minimum thermal conductivity of the orthorhombic phase but has a maximum effect at 10 GPa for the hexagonal phase. The electronic structures reveal stronger p-d hybridization between Sn and Ti atoms in the orthorhombic phase compared to the hexagonal phase.
Article
Polymer Science
Xiu Zhang, Jianrong Chen, Xuezhi Shao, Hongliang Li, Yongqiang Jiang, Yunkai Zhang, Dengfeng Yang
Summary: In order to develop an efficient extraction method, high-pressure homogenization (HPH) was investigated as a novel pretreatment technology for extracting sodium alginate (SA) from Laminaria japonica. The optimized extraction yield of HPH reached 34% under the conditions of 100 MPa HPH pressure, 4 cycles, pH 6.0, and 0.5% EDTA for 3.0 h. HPH pretreatment significantly disrupted the structure of L. japonica cells and reduced their crystallinity to 76.27%. The HPH-extracted SA exhibited an antioxidant activity of 0.02942 mgVceq•mg(-1). Therefore, HPH pretreatment is a potential strategy for alginate extraction.
Article
Chemistry, Inorganic & Nuclear
Ankit Bhoriya, Neha Bura, Deepa Yadav, Jasveer Singh, H. K. Poswal, Srihari Velaga, H. K. Singh, Nita Dilawar Sharma
Summary: Externally applied pressure and temperature can affect the stability of materials and determine their stability range. In this study, the pressure and temperature-induced structural phase progression/stability in GdVO4, a rare-earth vanadate, was investigated. High-pressure XRD experiments revealed a structural transition from the ambient zircon to scheelite phase, which started at 0.4 GPa and completed at 12.2 GPa. The temperature-dependent Raman measurements showed good structural phase stability of the zircon structure in the temperature range of 80-440 K.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Physics, Condensed Matter
Shina Li, Hao Quan, Xin Ju
Summary: The study reveals that I/4mmm-FeH5 exhibits good mechanical stability between 100 GPa and 300 GPa, with metallic properties and ionic bond formation under pressure. The elastic moduli show a monotonic increase with pressure.
SOLID STATE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Yufeng Wen, Xianshi Zeng, Yuanxiu Ye, Qingdong Gou, Bo Liu, Zhangli Lai, Daguo Jiang, Xinyuan Sun, Minghui Wu
Summary: In this study, the structural, elastic, electronic and thermodynamic properties of Al2Ti long-period superstructures under high pressure were systematically investigated. The results show that pressure has a significant impact on these properties, and the calculated values are consistent with available experimental and theoretical data.
Article
Materials Science, Multidisciplinary
Yu Liu, Wei Liu, Qiong-Yu Zhou, Chao Liu, Tou-Wen Fan, Yuan-Zhi Wu, Zhi-Peng Wang, Ping-Ying Tang
Summary: This study theoretically investigates the thermodynamic and fracture properties of CrFeCoNiMnx (0 <= x <= 3) high-entropy alloys (HEAs) using first-principles calculations and a quasi-harmonic Debye model. The results reveal the thermodynamic stability of the alloys' crystal structure, the favorable formation of a solid solution structure with the addition of Mn, and a positive correlation between configuration entropy and formation energy. Increasing Mn content enhances the interatomic bonding strength and makes the alloy's crystal structure less expandable.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Materials Science, Multidisciplinary
E. Karaca, D. Errandonea
Summary: The structural, electronic, phonon, and electron-phonon properties of NaAlGe under high pressure were investigated using density-functional theory simulations. It was found that the electronic states near the Fermi level, responsible for electrical conductivity, are mainly composed of Ge 4d states. The largest contribution to the average electron-phonon coupling parameter comes from Ge-related vibrations, with a calculated value of approximately 0.609. The superconducting critical temperature at ambient pressure was calculated to be 2.31 K, consistent with the experimentally obtained value of 1.80 K. Increasing pressure leads to a decrease in the electronic density of states at the Fermi energy (DOS) and superconductivity is suppressed at 12 GPa. The phonon dispersion at different pressures indicates a dynamical instability at 13 GPa, suggesting a structural phase transition. The high-pressure phase is proposed to be orthorhombic with space group Pnma and does not exhibit superconductivity. The pressure dependence of unit-cell parameters, Raman- and infrared-active phonons of both low-pressure and high-pressure phases is also reported.
RESULTS IN PHYSICS
(2023)
Article
Physics, Condensed Matter
Jinyu Qiao, Fangfang Wu, Huanming Chen, Zekun Yang, Ruyang Yan, Hongcun Bai, Fengchun Pan, Xueling Lin
Summary: The electronic, elastic and thermodynamic properties of MNi3 (M = Be, Mg, Ca) were investigated, as well as the influence of pressure and strain on elastic properties. It was found that these compounds exhibit metallic behavior, with the metal attribute index in the order of BeNi3 < MgNi3.
PHYSICA B-CONDENSED MATTER
(2023)
Article
Materials Science, Multidisciplinary
Qing Wang, Yongpeng Tang, Zenji Horita, Satoshi Iikubo
Summary: In this study, CH3NH3SnI3 perovskites were processed using high pressure with shear strain for the first time, resulting in improved structural stability and slightly enhanced thermoelectric properties. First-principles calculations confirmed the validity of these changes. This study uncovers a potential strategy to improve the structural and thermoelectric properties of CH3NH3SnI3.
MATERIALS RESEARCH LETTERS
(2022)
Article
Crystallography
Xiuxiu Yang, Shihao Zhang, Hang Zhu, Peidong Tao, Lili Huang, Mu Li, Wei Zhang, Ying Li, Cangtao Zhou, Yongtao Zou
Summary: This study investigates the structural stability, sound velocities, elasticity, and thermodynamic properties of cubic Zr0.5Nb0.5 alloy under high pressure and high temperature conditions. The results reveal the pressure-induced shear wave velocity stiffening in the alloy and provide insights into its mechanical behavior and thermodynamic properties.
Article
Physics, Multidisciplinary
Yaowen Long, Hong Zhang, Xinlu Cheng
Summary: In this study, the lead-free perovskites Cs-3B2X9 and Cs3B2X9/Cs(3)B2'X-9 were systematically investigated using first-principles simulations. The results revealed excellent optical properties and the potential for photocatalytic water splitting, providing insights for applications in optoelectronics and photocatalysis.
Article
Energy & Fuels
Hongzhi Zhang, Zongwei Han, Mingzhen Ji, Gui Li, Xinlu Cheng, Ziwei Yang, Lingyan Yang
Summary: The arrangement of pipe group and type of ground heat exchangers are crucial factors affecting the performance of ground source heat pump systems. Linear arrangement and W, double-U types show better performance improvement effects compared to staggered and square arrangements and single-U type.
Article
Physics, Multidisciplinary
Jiaqi Li, Xinlu Cheng, Hong Zhang
Summary: MoS2, a transition metal dichalcogenide, has direct bandgap, tunability, and optical properties. By combining with noble metal nanoclusters, it can be used for catalytic water splitting. The properties of these materials can be adjusted by applying biaxial strain, which leads to a quasi-linear relationship between the bandgap and strain and a transition between direct and indirect bandgap. These materials exhibit excellent electronic and optical properties, making them important for applications in microelectronic and photoelectric devices, as well as photocatalytic materials.
Article
Chemistry, Physical
ChaoWen Huang, Hong Zhang, XinLu Cheng
Summary: Low-energy electron collisions with O2 molecules at different energy levels were studied using the fixed-nucleus R-matrix method, showing that the elastic cross sections for various excited states decrease with increasing electron energy, except for resonance peaks.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Ting Zhang, Yuping Lu, Xinlu Cheng
Summary: This study investigates the dynamical properties of O + O-2 collision using the quasi-classical trajectory method. The results show that rotational and vibrational excitations have significant effects on the integral cross-sections, while rotational excitation of the reagent has a weak effect. Vibrationally excited states contribute to the dissociation rate.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Lu Liu, Xinlu Cheng
Summary: This study investigates the gamma and beta systems of cyano radicals using highly correlated ab initio approach. The complex behavior of the excited-state wave function greatly affects the quality of transition dipole moment curves. By combining transition dipole moment curves and potential curves, the spectroscopic parameters and radiation lifetimes of the higher vibrational bands are obtained. The study also discusses the spectral intensities at different temperatures and their relevance in astrophysics and chemistry applications.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Chunrong Zhao, Hong Zhang, Xinlu Cheng
Summary: The spectral research of bismuth ferrite is crucial for understanding the mechanism, properties, and material characterization of multiferroic materials. By studying core electron excitation and calculating spectra, the proportion of Fe3+ in BiFeO3 can be estimated, providing valuable insights for both theoretical and experimental research.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
Xiangyue Liu, Xinlu Cheng, Hong Zhang
Summary: This work evaluates the near-edge electronic structures and carrier mobility of Twin-G/g-C3N4 and Twin-G/hBN vdW heterojunctions using first-principles calculations. The results show that Twin-G/g-C3N4 retains a staggered type-II alignment, benefiting efficient photogenerated carrier separation. In contrast, Twin-G/hBN exhibits a type-I alignment. External electrical fields and tensile strain induce transitions in the bandgap and carrier mobility. The study highlights the potential of Twin-G heterostructures for developing optoelectronic devices.
Article
Chemistry, Physical
Zhen Gao, Xinlu Cheng, Minjia Zhao
Summary: Superalkali metal clusters have excellent nonlinear optical properties and could be potential building blocks of nanostructured materials. In this study, the diffusion Monte Carlo method was used to investigate the structural and electronic properties of small LinCl ((0,1+)) (n = 1-7) clusters for the first time. The results show that the ionization potentials calculated using DMC are in better agreement with experimental values, and an odd-even alternation phenomenon was observed.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Huibin Ma, Xinlu Cheng, Junxia Cheng
Summary: In this study, the MRCI approach was used to investigate the potential energy curves (PECs) of NO and N-2. The PECs obtained were in good agreement with the RKR potential, which allowed for the accurate calculation of Frank-Condon factors. Using the Rosen-Zener approximation and Frank-Condon factors, the quenching rate coefficients of various collision reactions involving NO(X-2 Pi,v*=0-3) and NO(A(2)sigma(+),v = 0-20), N2(A(3)sigma(+)(u),v = 0-23), and N-2(B-3 Pi(g),v = 0-28) were calculated. The results showed that higher vibrational excitation (v*) promotes the occurrence of quenching. Additionally, the rate coefficients of NO(X-2 Pi,v*) and N-2(X-1 sigma(+)(g),v*) colliding with NO(A(2)sigma(+),v = 0-20) at high temperature were also calculated, providing more accurate numerical basis for aircraft entering the atmosphere at high temperatures.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Yi Wang, Xinlu Cheng, Hong Zhang
Summary: In this study, the collective asymmetric Rabi splitting of sulfur dioxide and carbon disulfide molecules in an optical cavity was investigated using molecular dynamics simulations. The effects of the optical cavity on the ground state bond lengths and rotation behavior of the molecules were also studied. The results showed different promotion or inhibition effects on the upper polarons of the molecules with increasing coupling strength. The relationship between polarons and cavity mode frequencies was consistent for sulfur dioxide and carbon disulfide when the cavity mode frequency was highly positively detuned. However, the lower polaron of sulfur dioxide almost disappeared when the cavity mode frequency was highly negatively detuned. The study also revealed significant modification effects of the cavity on the ground state rotation behavior of the molecules. The findings provide important evidence for the reversible change of the chemical properties of sulfur dioxide and carbon disulfide molecules through vibrational strong coupling and vibrational ultrastrong coupling, and offer a new approach to control the physical and chemical properties of the molecules using the cavity mode. The results also contribute to the field of vibration-polariton science and provide comparable outcomes for future experiments on light-matter coupling.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Materials Science, Multidisciplinary
Mengmeng Bai, Zuo Li, Mingxia Shi, Minlong Tao, Kai Sun, Xiaotian Yang, Yufeng Zhang, Junzhong Wang
Summary: Large molecules on metal surfaces can act as building blocks and templates to reshape the metal surfaces. In this study, the adsorption of triphenyl bismuth (TPB) molecules on the Cd(0001) surface induced the formation of periodic nanostripe arrays of Cd atoms. The Cd nanostrips were found to be composed of parallel segments of Cd atomic chains with 2 x 2 reconstruction. The rearrangement of the Cd(0001) surface can be attributed to the strong molecule-substrate interaction.
Article
Optics
He Su, Xinlu Cheng, Bridgette Cooper, Jonathan Tennyson, Hong Zhang
Summary: Quasibound states of the nitrogen molecular anion are studied using ab initio R-matrix theory and a close-coupling model, identifying and characterizing different resonance states and comparing with the resonance structure in the CO- anion.
Article
Chemistry, Physical
Xiaojuan Li, Xinlu Cheng, Hong Zhang
Summary: Understanding the microscopic mechanisms of electronic excitation in water clusters is crucial for solar energy applications. This study investigates the photodissociation process of water clusters and photoinduced charge transfer. The research reveals the difficulty of dissociating the plane tetramer (H2O)(4) under laser irradiation and identifies the Cu-6 chain as the most cost-effective plasmon catalyst for water splitting.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Xiangyue Liu, Huadong Zeng, Guangzhao Wang, Xinlu Cheng, Shengyuan A. Yang, Hong Zhang
Summary: This article investigates the mechanism of how the vertical dipole moment modulates the photoexcited carrier transport and the electron-hole recombination dynamics in polar Janus MoSSe/MoS2 stacked heterostructures using time-domain density functional theory and nonadiabatic dynamics. The study shows the stronger nonadiabatic coupling, interlayer-state delocalization, and built-in electric field contribute to a more efficient photocarrier separation across the interface. Janus MoSSe/MoS2 heterostructures exhibit superior photocatalytic activity, which can be attributed to ultrafast photocarrier separation triggered by the built-in electric field, suppressed carrier recombination, high solar-to-hydrogen conversion efficiency, and wide absorption coefficient.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Condensed Matter
A. Jbeli, N. Zeiri, N. Yahyaoui, P. Baser, M. Said
Summary: The electronic and optical properties of CdSe/ZnSe semiconductor core/shell quantum dots with hydrogenic donor impurity were investigated theoretically. The perturbation and variational methods were used to calculate the binding energy, photoionization cross-section, polarizability, and diamagnetic susceptibility of the excited impurity under various conditions. A significant stark shift in the binding energy was observed under the influence of an external electric field.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Rahat Batool, Tariq Mahmood, Sajid Mahmood, Abdul Aziz Bhatti
Summary: This study investigates the effects of alkali metal doping (Na, K, Cs) on MAPbI3 through compositional engineering. The results show that doping Na, K, and Cs can improve the phase stability, thermodynamic stability, and optical absorption of MAPbI3.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
N. A. N. M. Nor, M. A. H. Razali, W. H. A. W. K. Annuar, N. N. Alam, F. N. Sazman, N. H. M. Zaki, A. S. Kamisan, A. I. Kamisan, M. H. Samat, A. M. M. Ali, O. H. Hassan, B. U. Haq, M. Z. A. Yahya, M. F. M. Taib
Summary: This study investigates the potential of quaternary chalcogenides semiconductors as thin film solar cell absorbers using density functional theory (DFT) and density functional theory plus Hubbard U (DFT + U) approach. The results show that by applying Hubbard U terms, the electronic band gaps can be accurately predicted, providing valuable insights for finding cost-effective new thin film solar cell materials.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Ashwani Kumar, Anuj Kumar, Mohaseen S. Tamboli, Mohd Ubaidullah, J. Jayarubi, S. K. Tripathi
Summary: In this study, lead-based perovskite solar cells are replaced by bismuth-based perovskite cells to overcome their instability and toxicity. CsBi3I10 perovskite films are fabricated using a modified drop-casting process, and the effects of post-annealing temperature on the morphological, structural, and optical properties are investigated. The photovoltaic performance of the cells without a hole transport layer is also quantitatively evaluated.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yang Gao, Shu-Ming Chen, Shuo Cao, Shang-Zhou Zhang, Philippe Djemia, Qing-Miao Hu
Summary: This study investigates the phase stability, elastic modulus, and hardness of ternary nitride Ti1-xAlxN. It is found that the hardness increases with the Al content x. The cubic B1 structure is more stable for x < about 0.75, while the hexagonal structure (B4) is more stable for x > about 0.75. The composition dependent hardness and phase decomposition contribute to the convex shaped hardness curve of Ti1-xAlxN.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Fengqi Wang, Qinyan Ye, Xulin He, Kun Luo, Xiaolong Ran, Xingping Zheng, Cheng Liao, Ru Li
Summary: This report uses rigorous calculations based on density functional theory to study the piezoelectric and elastic properties of wurtzite aluminum nitride (w-AlN) with single- and co-alloying by Hf (or Zr) and Sc. The research finds that the (HfSc)0.375Al0.625N and (ZrSc)0.375Al0.625N with stable wurtzite phase have a large piezoelectric coefficient d33 of 49.18 pC/N and 47.00 pC/N, respectively. However, the piezoelectric voltage constant g33 and electromechanical coupling constant k233 of HfAlN, ZrAlN, HfScAlN, and ZrScAlN are smaller than that of ScAlN, which is attributed to the large dielectric constant epsilon 33 of Hf (or Zr) alloying samples. Furthermore, the calculations of internal parameter u and bond angle alpha elucidate the brittle-to-ductile transformation in alloying w-AlN crystal structure. Electronic structure calculations show that the bandgap decreases almost linearly with the increase of alloying concentration, and the Hf (or Zr) alloying compounds become n-type semiconductors due to the existing high-charge states.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
S. R. Athul, K. Arun, S. Swathi, U. D. Remya, Andrea Dzubinska, Marian Reiffers, Nagalakshmi Ramamoorthi
Summary: The magnetic and magnetocaloric characteristics of Ho6FeSb2 have been studied. The compound exhibits two second-order ferromagnetic transitions, enabling hysteresis-free magnetocaloric effect across a wide temperature range. The alloy has high relative cooling power and magnetoresistance, making it suitable for hysteresis-free magnetocaloric applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Reena Sharma, Neelam Hooda, Ashima Hooda, Satish Khasa
Summary: A polycrystalline double perovskite La2CoMnO6 sample was prepared and its structural, dielectric and magnetic properties were investigated. The sample exhibited complex structures and magnetic behavior, and showed good conductivity and dielectric performance. Its multi-domain magnetic structure suggests its suitability for memory device applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Shubha Dubey, Jisha A. Abraham, Kumud Dubey, Vineet Sahu, Anchit Modi, G. Pagare, N. K. Gaur
Summary: This study investigates the optoelectronic, thermodynamic, thermoelectric, and mechanical stability properties of RhTiP Half Heusler semiconductors. The results show that RhTiP is a non-magnetic material with confirmed mechanical stability. It is found to be an indirect-bandgap semiconductor with a good Seebeck coefficient. This study suggests that RhTiP has promising applications in the thermoelectric and optoelectronic fields.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Xun Xie, Jiong-Ju Hao, Hong-Wei Yang
Summary: This work presents a multilayer film structure that uses optical resonance to prepare highly efficient and saturated red, green, and blue transmittance colors. Numerical simulations and analysis show that the structure can produce R, G, and B colors with a purity comparable to standard RGB colors, while maintaining efficient transmission efficiency and obtaining a rich variety of structural colors. Additionally, a metallic interlayer is introduced to selectively suppress resonances in the short-wavelength region, improving the purity of the red color. The study also investigates the effect of the incidence angle on color purity and transmission efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yueqiang Zhao
Summary: Solubility property is of great interest in chemical, physical, pharmaceutical, material, and environmental sciences. Understanding the intrinsic reason behind solubility behavior is a fascinating task. The theoretical relation between binary mutual solubility and liquid-liquid interfacial tension has been derived, where the partitioning of solute molecules between two coexisting liquid phases is determined by the transfer free energy per unit segment for a chain-like solute molecule expressed in terms of solute-solvent interfacial tension. This general theory of solubility is in good agreement with experimental results for binary mutual solubility and molar transfer free energy of solute molecules.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Osama K. M. Bashiar, R. E. Kroon, H. C. Swart, R. A. Harris
Summary: ZnO thin films with near-infrared emission were successfully fabricated using pulsed laser deposition under vacuum conditions, without the need for additional gases or implantation methods. The NIR emission was hypothesized to be caused by defects in the ZnO film due to high energy particle impacts on the sample surface.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
O. Stognei, A. Berezutskii, I. Anisimov, A. Deryabin
Summary: The influence of ZrOn matrix stoichiometry on the electrical and magnetoresistive properties of Fe-Zr-O nanocomposites has been studied. It was found that the magnetoresistive effect is not observed in composites with oxygen lack, while composites with oxygen excess show magnetoresistive effect and increased resistivity. Magnetoresistivity in composites with oxygen lack only appears after heat treatment. These results can be explained by the difference in the density of localized states in the oxide matrix of the composites and the ratio between two types of conductivity.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Mehmet Bayirli, Aykut Ilgaz, Orhan Zeybek
Summary: The present study aims to understand the relationship between impedance characteristics and fractal behaviors. By producing neat and carbon nanotube doped composite specimens, the researchers investigated the electrical properties and surface heteromorphology using Nyquist plots and fractal analysis.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
M. I. Khan, Saddam Hussain, Muhamad Saleem, Fatimah Mohammed Alzahrani, Muhammad Siddique, M. S. Hassan, Allah Ditta Khalid, Munawar Iqbal
Summary: The sol-gel method was used to deposit Ti-doped MAPbBr3 films on FTO-glass substrates with different doping ratios (0%, 4%, and 6%). XRD analysis confirmed the cubic structure of all films, and the 4% Ti-doped film exhibited a large grain size, low band gap energy, and high refractive index. Solar cells fabricated using the 4% Ti-doped MAPbBr3 film showed improved performance in terms of current density, open circuit voltage, fill factor, and efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
