Article
Multidisciplinary Sciences
Ryo Mori, Samuel Ciocys, Kazuaki Takasan, Ping Ai, Kayla Currier, Takahiro Morimoto, Joel E. Moore, Alessandra Lanzara
Summary: By using time-, spin- and angle-resolved photoemission spectroscopy, we directly observe the formation of a long-lived exciton state in a transient excitonic topological surface state (TSS) in Bi2Te3. This state inherits the spin-polarization of the TSS and is spatially indirect along the z axis, as it couples photoinduced surface electrons and bulk holes in the same momentum range, which ultimately leads to an excitonic state of the TSS. These results establish Bi2Te3 as a possible candidate for the excitonic condensation of TSSs and open up a new paradigm for exploring other spatially indirect excitons and non-equilibrium many-body topological physics.
Article
Chemistry, Physical
H. Joshi, R. K. Thapa, Amel Laref, Worasak Sukkabot, Lalrinthara Pachuau, Lalmuanpuia Vanchhawng, P. Grima-Gallardo, M. Musa H-E Saad, D. P. Rai
Summary: First Principles calculations were performed on CsPbBr3 to investigate its elastic, electronic and optoelectronic properties. The results show that the calculated energy bandgap is similar to experimentally measured values and the optical spectra exhibit high absorption coefficients in the range of 3-6 eV.
SURFACES AND INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Xingyue Zhangyang, Lei Liu, Zhisheng Lv, Feifei Lu, Jian Tian
Summary: A theoretical model for the photoemission of field-assisted AlGaN heterojunction nanorod array photocathodes has been established, which improves electron collection efficiency by up to 42.3%. The model discussed in this article can provide theoretical references for the design and manufacture of high-efficiency solar-blind ultraviolet detectors.
Article
Materials Science, Ceramics
Towseef Ahmad, Mohd Zubair Ansari
Summary: Recent developments in the field of nanomaterials have shown the importance of using doping techniques to achieve multifunctionality in materials. In this study, Sb-doped SnO2 nanoparticles were successfully prepared using a sol-gel approach. Various characterization techniques were used to investigate the effect of Sb doping on the structural and optical properties of SnO2, as well as the photocatalytic capabilities of the prepared nanoparticles. The results showed that Sb doping influenced the crystallite size and band gap energy of SnO2, leading to enhanced absorption in the visible light range and improved photocatalytic activity.
CERAMICS INTERNATIONAL
(2023)
Review
Nanoscience & Nanotechnology
Maciej R. Molas, Lukasz Macewicz, Aleksandra Wieloszynska, Pawel Jakobczyk, Andrzej Wysmolek, Robert Bogdanowicz, Jacek B. Jasinski
Summary: This study provides a detailed evaluation of photoluminescence (PL) as a comprehensive tool for phosphorene characterization, emphasizing its prominent quantitative role in providing fingerprint-like features due to extreme sensitivity to band structure details, anisotropy, disorder, and external fields. It reviews the effects of factors such as number of layers, dimensionality, structural and chemical disorder, and environmental factors on phosphorene's PL signal, as well as elaborates on the applications of PL in monitoring phosphorene and its modifications in various fields such as chemical and biosensing, nanomedicine, and solar energy harvesting.
NPJ 2D MATERIALS AND APPLICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Hao Xu, Wei Zhu, Mingliang Tang, Xiangyuan Wang, Yin Zhang
Summary: This study investigated a multi-component oxide glass consisting of 50B(2)O(3)-(25-x)Al2O3-10Na(2)O-xBi(2)O(3)-15CaF(2)-0.5Dy-0.5Eu (x = 0 , 5 , 10 , 15 , 20 , 25 mol%). The fluoroborate glass exhibited non-crystallinity, as confirmed by X-Ray diffraction. FTIR spectra revealed the structural properties of the glass, characterized by the stretching and vibrating groups of various boric groups. The optical band gap measurements confirmed the presence of unbridged oxygen (NBOs) in the glass samples. The refractive index of the fluoroborate glass increased with the Bi2O3 content, and the glass exhibited strong emission in the blue, yellow, and red range. The emission spectra were analyzed to calculate chromaticity coordinates, color temperature, color rendering index, and color purity. By adjusting the Bi2O3 content and excitation wavelength, the glass was able to emit white light, making it suitable for white light-emitting diodes (WLEDs).
MATERIALS TODAY CHEMISTRY
(2022)
Article
Chemistry, Physical
Naziha Boudchicha, Mostepha Iezid, Faycal Goumeidane, Messaoud Legouera, P. Syam Prasad, P. Venkateswara Rao
Summary: In this study, a series of glasses based on the TeO2-BiCl3-RE2O3 system were prepared and characterized for their thermal stability, density, refractive index, and structure. The results demonstrate that these glasses are potential candidates for nonlinear optic fibers and solid laser materials.
Article
Chemistry, Inorganic & Nuclear
Iman Roknidoust Foumani, Suat Pat
Summary: In this study, ZnO doped with Gd was deposited onto glass and silicon substrates using the TVA method to investigate its morphological, compositional, and optical properties. The results showed that the substrate strongly influenced the morphological structures of the thin films, with the glass substrate having more symmetry and regularity. The optical properties of the nano composite on the glass substrate were analyzed using an optical interferometer and UV-Vis spectrophotometer.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Optics
Wenliang Fan, Haiyan Yao, Yanlai Wang, Jun Zhu, Xiaogong Lv, Shiliang Ban
Summary: In this study, titanium-doped CdIn2S4 (Ti-CIS) thin films with a spinel structure were successfully synthesized and characterized. The results showed that Ti doping widened the optical absorption spectra of Ti-CIS films by forming a partially filled intermediate band (IB) in the forbidden band. The Ti-CIS films also exhibited good photoelectric properties, making them promising candidates for high-efficiency thin film solar cells.
Article
Engineering, Electrical & Electronic
Noori S. Anad, Zakaria M. Abd El-Fattah, M. Attallah, Hanaa M. Ahmed, M. M. El-Okr, H. H. El-Bahnasawy
Summary: Pristine and chromium-doped ZnO nanowires were synthesized using the co-precipitation method, and their properties were characterized using various techniques. The study showed that chromium doping had minimal effect on the optical band gap, and the successful doping was confirmed through spectroscopic analysis.
OPTICAL AND QUANTUM ELECTRONICS
(2022)
Article
Materials Science, Multidisciplinary
Yuechan Li, Yongli Li, An Xie
Summary: Doping impurities into zinc oxide can effectively tailor its optical properties, with synthesized zinc magnesium oxide and zinc magnesium boron oxide nanoparticles at different doping ratios. The study showed that magnesium and boron dopants had significant effects on the crystallinity and surface morphology of zinc oxide, without altering its wurtzite structure.
Article
Physics, Condensed Matter
Adeeba Naz, Shatha A. Aldaghfag, Muhammad Yaseen, Mehwish K. Butt, Muhammad Kashif, Muhammad Zahid, Shanza Mubashir, H. H. Somaily
Summary: In this study, the FP-LAPW method based on DFT was used to investigate the effects of Ce doping on the band structure and optical properties of BaTiO3 compound. The results revealed that Ce doping can transform Ba1-xCexTiO3 from an indirect band gap semiconductor to a direct band gap semiconductor, and the band gap width decreases with the increase of Ce concentration. Furthermore, the optical behavior of Ba1-xCexTiO3 compounds was evaluated, and it was found that Ce doping could make BaTiO3 compound promising for optical and optoelectronic devices.
PHYSICA B-CONDENSED MATTER
(2022)
Article
Materials Science, Multidisciplinary
A. Kadari, R. Chikhaoui, I. A. El-Mesady
Summary: In this study, magnesium borate was synthesized via sol-gel process with Mn2+ and Dy3+ dopants. X-ray diffraction and Fourier Transform Infrared were used to study the properties and absorption spectra. Particle sizes and energy band gap were calculated, showing that doping can increase the energy band gap. These results are important for increasing the utilization of magnesium borate in various industrial applications.
Article
Nanoscience & Nanotechnology
Lily Yang, Stephan Steinhauer, Elia Strambini, Thomas Lettner, Lucas Schweickert, Marijn A. M. Versteegh, Valentina Zannier, Lucia Sorba, Dmitry Solenov, Francesco Giazotto
Summary: Our study investigates the effects of optical-frequency light on InAs/Al Josephson junctions based on highly n-doped InAs nanowires, finding that the junctions are surprisingly robust and only interact with incident radiation through heating. It is suggested that these junctions can be used for optical-frequency photon detection by measuring a shift in critical current.
Article
Chemistry, Inorganic & Nuclear
Jinhui Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu
Summary: Birefringent crystals with strong anisotropy are important in modern optical devices. The study synthesized alkali halide cyanurates co-crystals with wide band gaps, tunable birefringence, and high thermal stability, and showed the significant effect of alkali metal and halogen species on regulating optical anisotropy.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Y. O. Yayak, Y. Sozen, F. Tan, D. Gungen, Q. Gao, J. Kang, M. Yagmurcukardes, H. Sahin
Summary: The study shows that single-layer Ge3N4 has a dynamically stable buckled structure with large hexagonal holes, distinct vibrational features, and an indirect band gap semiconductor nature. It can also form type-II vertical heterostructures with various 2D materials and exhibit changes in energy band gap under applied external strain.
APPLIED SURFACE SCIENCE
(2022)
Article
Physics, Condensed Matter
Jing Huang, Jun Kang
Summary: Semiconducting graphyne/graphene heterostructure shows excellent electronic properties, suitable for 2D FETs. N-type Ohmic contact with zero Schottky barrier height can be achieved through charge transfer and efficient electron tunneling. The Schottky barrier height can be controlled by applying external electric fields or doping, allowing for contact type transition.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Electrochemistry
Lei Li, Yameng Li, Tao Zhao, Rao Huang, Xinrui Cao, Tiane Fan, Yuhua Wen
Summary: This study presents a computational scheme based on density-functional theory to identify highly active noble-metal-free dual-atom catalysts (DACs) for oxygen reduction reaction (ORR). The results demonstrate that NiNiN6 catalyst exhibits the highest electrochemical activity, and the adsorption energy of O-2, electronegativity of metal atoms, and adsorption free energy of *OH can be used to predict the ORR activity qualitatively. This work provides significant guidance for the discovery and design of highly active noble-metal-free ORR DACs.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Pan Zeng, Cheng Yuan, Jiao An, Xiaofei Yang, Chen Cheng, Tianran Yan, Genlin Liu, Ting-Shan Chan, Jun Kang, Liang Zhang, Xueliang Sun
Summary: The study proposes a strategy using reactive Li2S and bidirectional Fe3C electrocatalyst to achieve fast and continuous conversion of sulfur species, enhancing the performance of Li-S batteries. Fe3C plays a role in both reduction and oxidation processes, maintaining high catalytic activity and enabling stable operation of Li-S batteries over a wide temperature range.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Medicinal
Wei-Hua Yang, Ya-Meng Li, Jian-Xiang Bi, Rao Huang, Gui-Fang Shao, Tian-E Fan, Tun-Dong Liu, Yu-Hua Wen
Summary: In this study, an improved differential evolution with neighborhood search algorithm was proposed for the global optimization of bimetallic cluster structures. The results showed that the improved algorithm had higher searching capability and faster convergence speed. Additionally, the predicted bimetallic cluster structures were characterized by energy and bond order parameters.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Materials Science, Multidisciplinary
Yameng Li, Tao Zhao, Lei Li, Rao Huang, Yuhua Wen
Summary: By performing density-functional theory calculations, this study explores the electrochemical properties of ScB and TiB monolayers as anode materials for lithium- and sodium-ion batteries. The results show that these monolayers have stable adsorption, fast charge/discharge rates, higher storage capacity, and lower diffusion energy barriers compared to other reported MBene monolayers, making them promising candidates for two-dimensional anode materials for lithium-ion batteries.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Nanoscience & Nanotechnology
Saisai Gao, Haidong Zhao, Pengfei Gao, Jinglei Bi, Dan Liu, Daolong Zhu, Bin Wang, Shengchun Yang
Summary: A facile approach for gram-scale preparation of PtPd alloy nanoparticles on carbon black is developed, which shows higher activity and stability in rotating disk electrode and proton exchange membrane fuel cells.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Physics, Multidisciplinary
Jun Kang, Xie Zhang, Su-Huai Wei
Summary: This article introduces the advances in ab initio density functional theory (DFT) calculations for energy materials design. It discusses the state-of-the-art DFT methods for simulating key properties of energy materials and showcases examples of new materials discovered for various energy applications. The challenges and future research directions in computational design of energy materials are also highlighted.
Article
Chemistry, Multidisciplinary
Tie-Jun Li, Wei-Hua Yang, Jin-Yan Pan, Rao Huang, Gui-Fang Shao, Yu-Hua Wen
Summary: This study investigates the thermally activated microstructural evolution and resultant collapse of PtIrCu nanorings using molecular dynamics simulations. The results reveal that both the thermal and shape stabilities of these nanorings can be remarkably improved by decreasing the inner radius.
Article
Materials Science, Multidisciplinary
Tiejun Li, Lei Li, Weihua Yang, Jinyan Pan, Rao Huang, Yuhua Wen
Summary: The geometric, electronic, and magnetic properties of noble-metal single atom (M = Rh, Pd, Ag, Ir, Pt, and Au) with non-metal (X = B, C, N, and O) co-doped graphene (MX4-G) were investigated. Results showed that Rh, Pd, Ir, Pt, and Au cannot form strong bonds with the O4-G substrate to form MO4-G, while Ag cannot be stably anchored on all X4-G substrates. The stable MX4-G structures, which exhibit different catalytic activity and selectivity, depend on the electronegativity of X and the lost charges of M atom. The MX4-Gs can exhibit metallic, halfmetallic, or semiconductor behaviors due to their sensitively dependent band gaps on the atomic types of M and X.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Xi-Wen Chen, Rao Huang, Yu-Hua Wen
Summary: Clarifying the phase distribution of liquid metallic alloys is important both scientifically and technologically. Molecular dynamics simulations reveal different phase segregation patterns in bimetallic nanodroplets, with phase segregation confined to a single surface layer in the Au-Pt system and core-shell separation and uniform distribution in nanodroplets with other components. This diversity arises from the competition between potential energy and entropy term in minimizing free energy, providing new perspectives for the design of functional metallic nanodroplets.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Jun Kang, Jing Huang
Summary: This work investigates the defect and doping properties of monolayer PdSe2 using first-principles calculations. It is found that the dominant defects in monolayer PdSe2 are adatoms, followed by antisites and vacancies. The intrinsic defects have deep charge transition levels, and screening by the substrate has a weak effect on shallowing the defect levels. The unintentional doping concentration in monolayer PdSe2 is expected to be very low. However, good doping behaviors can be achieved through a modulation doping approach by incorporating dopants into an encapsulation CaF2 layer. K and Al dopings in the CaF2 layer can introduce holes and electrons in the PdSe2 layer, respectively, leading to good transport properties.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Yaning Wang, Xiang Gao, Kaining Yang, Pingfan Gu, Xin Lu, Shihao Zhang, Yuchen Gao, Naijie Ren, Baojuan Dong, Yuhang Jiang, Kenji Watanabe, Takashi Taniguchi, Jun Kang, Wenkai Lou, Jinhai Mao, Jianpeng Liu, Yu Ye, Zheng Han, Kai Chang, Jing Zhang, Zhidong Zhang
Summary: Interfacing graphene with an antiferromagnetic insulator CrOCl enables the observation of strong interfacial coupling. Using dual gates, we demonstrate an unusual quantum Hall effect in graphene samples in contact with CrOCl, leading to the development of two distinct quantum Hall phases.
NATURE NANOTECHNOLOGY
(2022)
Article
Chemistry, Physical
Kaiwen Huang, Weihua Yang, Lei Li, Yameng Li, Rao Huang, Yuhua Wen
Summary: In this study, the structural and catalytic properties of NiPd co-doped N-coordinated graphene (NiPdN6-G) as an electrocatalyst for the oxygen reduction reaction (ORR) were thoroughly investigated using density functional theory (DFT) calculations. The results showed that NiPdN6-G is structurally and thermodynamically stable. Furthermore, the optimal reaction path for ORR on NiPdN6-G had lower energy barriers than pure Pt catalyst, indicating its potential as a substitute for Pt-based catalysts in energy conversion and storage devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yameng Li, Weihua Yang, Fangqi Yu, Rao Huang, Yuhua Wen
Summary: The TiB4 monolayer, with its graphene-like structure and metallic characteristics, shows great potential in electrochemical applications. It can stably adsorb Li/Na/K ions and has low diffusion barriers. In addition, it exhibits excellent catalytic activity and selectivity in the nitrogen reduction reaction. This study provides important insights for the development of high-performance 2D materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)