Article
Chemistry, Physical
Jie Zhang, Xue Gao, Qiang Xu, Tianbao Ma, Yuanzhong Hu, Jianbin Luo
Summary: Graphene oxide (GO) shows low friction during sliding due to the GO-to-Gr conversion induced by friction chemistry at low load, while wear of GO at high load is characterized by breaking of the C-C and C-O bonds. Decreasing the concentration of epoxide groups is an effective method to enhance the wear resistance of GO.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Luis A. Zepeda-Ruiz, Alexander Stukowski, Tomas Oppelstrup, Nicolas Bertin, Nathan R. Barton, Rodrigo Freitas, Vasily V. Bulatov
Summary: We demonstrated that crystal rotation leads to the staged hardening of metals, while the basic mechanisms of dislocation behavior remain consistent across all stages of metal hardening.
Article
Chemistry, Analytical
Elnaz Aliyari, Lars Konermann
Summary: Native electrospray ionization (ESI)-mass spectrometry (MS) is commonly used for detecting and characterizing multi-protein complexes, however, nonspecific protein clustering in the ESI plume can distort results. This study combines experiments and molecular dynamics simulations to reveal insights into ESI clustering of proteins, demonstrating the formation of nonspecific protein clusters via solvent evaporation. Through MD simulations, the study confirms the viability of charged residue model (CRM) and ion evaporation model (IEM) pathways for protein clustering.
ANALYTICAL CHEMISTRY
(2021)
Article
Environmental Sciences
Jing Cao, Yi Yang, Junrui Chai, Puwei Wu, Te Liang, Zengguang Xu, Yuan Qin
Summary: Through molecular dynamics simulations, the interface behavior between GBM and three types of minerals (quartz, calcite, and kaolinite) was investigated. The difficulty of GBM adsorption and desorption on the three minerals, from smallest to largest, is roughly: quartz, calcite, and kaolinite, respectively. Graphene oxide (GO) improves the binding energy and energy barrier, making GBM more difficult to migrate in soil. Remarkably, a larger GBM sheet and high velocity external load promote GBM migration in soil to a certain extent.
Article
Engineering, Environmental
Zichun Zhang, Ge Zhang, Huangkai Wang, Chuang Wang, Qianmei Li, Xianyou Wang, Yong Pei, Haibo Wang, Zhenhua Yang
Summary: CuP2 is a hopeful anode material for sodium-ion batteries with considerable theoretical capacity. However, it suffers from rapid capacity decline and cyclic reversibility issues. Single vacancy graphene (SVG) plays a key role in regulating the electrochemical properties of CuP2, leading to more stable reaction energy barrier and higher theoretical capacity of CuP2/SVG composites.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Francesca Peccati, Mariona Sodupe
Summary: This study analyzes the preferred atomistic fibrillar structures formed from short peptides self-assembled into artificial amyloid-like nanofibers. It identifies parallel beta-sheet organizations with polar residues as the preferred assembly due to the formation of strong hydrogen bond networks. The research provides a basis for the rational design of new improved artificial prion-inspired materials.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
C. Dong, A. Li, H. Kobayashi, Y. Chang, R. Li, X-B Chen, W. Dong
Summary: The flexible film with nanohelical hierarchical structure as a binder-free electrode proposed in this study can release the mechanical stress caused by volumetric variations, exhibiting high rate capability and superior cycling stability. The hierarchical core-sheath nanohelical structure allows the electrode to maintain high capacity and stability during cycling, indicating great potential in energy storage applications.
MATERIALS TODAY NANO
(2021)
Article
Chemistry, Physical
Gaetano Calogero, Domenica Raciti, Damiano Ricciarelli, Pablo Acosta-Alba, Fuccio Cristiano, Richard Daubriac, Remi Demoulin, Ioannis Deretzis, Giuseppe Fisicaro, Jean-Michel Hartmann, Sebastien Kerdils, Antonino La Magna
Summary: This study presents a multiscale computational framework for pulsed laser annealing that can simulate the atom-by-atom kinetics of material transformations under laser interaction, overcoming the limitations of current tools. The method has important implications and potential applications in investigating complex changes in SiGe alloys.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Babita Rani, Vladimir Bubanja, Vijay K. Jindal
Summary: The study reveals that phosphorus doping enhances the adsorption of lithium atoms onto graphene, leading to cluster formation at high lithium concentrations near the phosphorus dopant. Phosphorus-doped graphene exhibits high electronic conductivity, but an increase in lithium concentration results in an increase in density of states above the Fermi level. The protrusions caused by phosphorus dopants act as trapping centers for lithium atoms, inhibiting their migration over the substrate.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Article
Chemistry, Physical
Jian Tan, Wei Yao, Mingxin Ye, Jianfeng Shen
Summary: This Perspective article explores the relationship between the morphology of deposited lithium and reversibility in Li plating/stripping in rechargeable lithium metal batteries (RLMBs). It highlights the importance of RLMBs in current electrochemical energy storage and conversion systems, as well as the role of the solid electrolyte interphase (SEI) film and Li+ transport mechanism inside the SEI film.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Delin Sun, Stewart He, W. F. Drew Bennett, Camille L. Bilodeau, Olaf S. Andersen, Felice C. Lightstone, Helgi I. Ingolfsson
Summary: Research on gramicidin A (gA) subunit dimerization in lipid bilayers revealed a dimer structure with two subunits connected by six hydrogen bonds, as well as two additional dimer structures stabilized by four or two hydrogen bonds. The temporal evolution study found that the dimer can form directly with six hydrogen bonds, or through paths involving two or four hydrogen bonds.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Multidisciplinary Sciences
Wenpei Gao, Ahmed O. Elnabawy, Zachary D. Hood, Yifeng Shi, Xue Wang, Luke T. Roling, Xiaoqing Pan, Manos Mavrikakis, Younan Xia, Miaofang Chi
Summary: By integrating in situ liquid microscopy and first-principles calculations, the authors elucidate the atomistic details involved in the formation of colloidal core-shell nanoparticles, including nucleation site, diffusion path, and growth pattern. These insights provide a general guideline for the rational synthesis of nanoparticles, suggesting that controlling key synthesis parameters can achieve predictable and controllable nanoparticle synthesis.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Medicinal
Luz America Chi-Uluac, Somayeh Asgharpour, Rodolfo Guadalupe Blanco-Rodriguez, Marlet Martinez-Archundia
Summary: Angiotensin-(1-7) is a promising therapeutic candidate for various clinical conditions due to its vasoprotective, antioxidant, and anti-inflammatory effects. However, it exhibits pH-dependent physical instability in aqueous solutions, and a comprehensive atomistic study investigating this behavior is currently lacking.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Multidisciplinary
Mufeng Liu, Zheling Li, Xin Zhao, Robert J. Young, Ian A. Kinloch
Summary: The study demonstrates that mono-/few-layer graphene are good candidates for strain sensing with high spatial resolution to evaluate features <100 nm. The sensors can monitor the initiation and evolution of crazes, and enable evaluation of high local strain in graphene.
Article
Materials Science, Multidisciplinary
Yue Liang, Zhen Wei, Ruigang Wang, Xinyu Zhang
Summary: In recent years, combining carbon-based materials with metal oxides to improve the electrochemical performance of electrodes has attracted great interest. However, research on the growth and charge storage mechanisms of such hybrid electrodes has been limited. This study synthesized NiOx@graphene nanocomposites using a simple, reproducible, low-cost, and fast method, and explored their growth and charge storage mechanisms. It was found that the microstructure and morphology of the electrode materials were dependent on the choice of metal precursor, which directly affected the electrochemical performance of the electrodes. This work provides a new affordable approach for the synthesis and design of hybrid electrode architectures with high electrochemical performance, and offers experimental support.
Article
Chemistry, Multidisciplinary
Jing Wang, Yizhuo Wang, Kuncai Li, Xu Dai, Liuyang Zhang, Hong Wang
Summary: A new type of lateral fully organic diodes created in single donor-acceptor copolymer films with high performance and decent stability is reported. The achieved lateral devices exhibit high current densities and rectification ratios, meeting the requirements for high-frequency identification tags.
ADVANCED MATERIALS
(2022)
Article
Engineering, Mechanical
Yafei Xu, Xiangdong Fang, Shuting Fan, Liuyang Zhang, Ruqiang Yan, Xuefeng Chen
Summary: A novel dispersion compensation strategy based on the double Gaussian mixture model (DGMM) is proposed to suppress the dispersion effect in THz echoes, providing an effective approach for improving the accuracy of THz detection in nondestructive testing applications.
MECHANICAL SYSTEMS AND SIGNAL PROCESSING
(2022)
Article
Optics
Zhonglei Shen, Xiangdong Fang, Shengnan Li, Wei Yin, Liuyang Zhang, Xuefeng Chen
Summary: A terahertz chiral metasurface with a single-layer structure is proposed and demonstrated numerically based on a stereoscopic full metallic resonator array in this work. By using a coupled-mode theory, it is shown that the chiral metasurface can exhibit near-perfect absorption of one circularly polarized wave and non-resonant reflection of its counterparts in the quasi-bound states in the continuum-induced critical coupling region. The linewidths and handedness of the chiral metasurface can be flexibly controlled by an in-plane symmetry perturbation.
Article
Engineering, Mechanical
Zhonglei Shen, Xiangdong Fang, Shengnan Li, Liuyang Zhang, Xuefeng Chen
Summary: The paper proposes a mechanically reconfigurable and electrically tunable THz chiral metamaterials, demonstrating control of circular dichroism and quarterwave-plate behavior through adjusting folding angle and Fermi energy level of graphene origami.
EXTREME MECHANICS LETTERS
(2022)
Article
Physics, Applied
Shengnan Li, Zhonglei Shen, Wei Yin, Liuyang Zhang, Xuefeng Chen
Summary: This study proposes a 3D reflective metamaterial to demonstrate the EIT-like effect at terahertz frequency and verifies its mechanism through computational simulation and theoretical analysis. Experimental validation using two manufactured metamaterials confirms the effectiveness of the design. This research provides a practical and facile approach to designing and fabricating reflective EIT-like devices.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Optics
Feng Gao, Zhen Zhang, Yafei Xu, Liuyang Zhang, Ruqiang Yan, Xuefeng Chen
Summary: This study presents a method to accelerate the design of chiral metamaterials using deep learning, which autonomously deciphers the relationship between structure and electromagnetic response based on massive training samples, demonstrating more efficient design performance compared to traditional methods.
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS
(2022)
Article
Optics
Wei Yin, Zhonglei Shen, Shengnan Li, Feng Gao, Huibo Hao, Liuyang Zhang, Xuefeng Chen
Summary: This study proposes an improved angular insensitivity method for flexible broadband terahertz absorbers by integrating appropriate absorbers into a hybrid flexible array. Three types of absorbers with wide incident angles and robustness are successfully designed and experimentally validated.
OPTICS COMMUNICATIONS
(2022)
Article
Engineering, Multidisciplinary
Yafei Xu, Hongkuan Zhou, Yuqing Cui, Xingyu Wang, D. S. Citrin, Liuyang Zhang, Ruqiang Yan, Xuefeng Chen
Summary: In this paper, an effective and reliable 3D THz characterization system based on deep learning methods is proposed for automatic localization and imaging of delamination defects in GFRP composites. The system achieves high precision localization through the dual mechanisms of full-scale feature learning and promoted classifier, and obtains the 2D and 3D information of delamination defects using the class encoding strategy.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Materials Science, Composites
Yafei Xu, Guanghui Lian, Hongkuan Zhou, Yushan Hou, Hao Zhang, Liuyang Zhang, Ruqiang Yan, Xuefeng Chen
Summary: This paper proposes an intelligent THz 3D characterization system based on the deep adversarial domain adaptation (DADA) strategy, which can automatically locate and image hidden delamination defects in composites under different operating conditions. Through adversarial learning, an unsupervised CNN-DADA model is established to address the domain shift problem between different THz datasets. Experiments demonstrate the superior generalization performance of the CNN-DADA model on different THz datasets, enabling high accuracy and resolution automatic localization and imaging of delamination defects even with significant distribution discrepancies, facilitating the deployment of data-driven THz intelligent characterization in practical industrial scenarios.
COMPOSITES SCIENCE AND TECHNOLOGY
(2023)
Article
Engineering, Electrical & Electronic
Wenkang Li, Xiangdong Fang, Xuefeng Chen, Liuyang Zhang
Summary: This study applies MFC transducers to active-passive damage detection on curved structures. The system is able to accurately locate damage positions with an error within 10 mm and detect damage in structures with up to 5 m(-1) curvature.
IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT
(2023)
Article
Chemistry, Multidisciplinary
Dongxu Wang, Kai-Da Xu, Siyuan Luo, Yuqing Cui, Liuyang Zhang, Jianlei Cui
Summary: In this paper, a dual-band metamaterial absorber in the terahertz frequencies is proposed and its refractive index sensing characteristics is analyzed. The metamaterial structure is composed of a square metal ring with four T-shaped strips loaded outside of the ring, on top of a silicon wafer backed with a metal ground plane. The absorber exhibits high absorption rates of over 99% at resonant frequencies of 0.89 and 1.36 THz under both TE and TM polarized incidences. The metamaterial absorber also demonstrates stable absorption performance with varying incident and polarized angles, and can be used for sensing analytes with different refractive indices or thicknesses.
Article
Optics
Dongxu Wang, Kai-Da Xu, Siyuan Luo, Yuqing Cui, Liuyang Zhang, Zhen Liao, Jianlei Cui
Summary: In this paper, a dual-band terahertz absorber based on a metamaterial structure is designed, fabricated, and measured. The absorber achieves two absorption peaks at 0.715 and 1.013 THz with high Q-factors of 152.1 and 98.3, respectively, under TE and TM polarized incidence. The prototype of the metamaterial absorber is fabricated using electron beam lithography and electron beam evaporation technology, and its performance is tested using terahertz time-domain spectroscopy. This work offers a new option for designing multi-band terahertz metamaterial absorbers.
Article
Engineering, Biomedical
Xiaoming Zhao, Hongyun Ma, Hao Han, Liuyang Zhang, Jing Tian, Bo Lei, Yingang Zhang
Summary: With the aging population, spinal degeneration seriously affects the quality of life for middle-aged and elderly patients. Injectable biomaterials have gained attention as a minimally invasive and precise repair option for irregular defects. However, the design and functional control of bioactive injectable biomaterials for efficient spinal degeneration treatment remains a challenge.
MATERIALS TODAY BIO
(2022)
Article
Engineering, Marine
Hao Zhang, Anmin Zhang, Chenxu Wang, Liuyang Zhang, Shuai Liu
Summary: This paper proposes an ontological theory and methodology based on a comprehensive analysis of domain knowledge to address the issue of ambiguity and diversity in the semantic expression of ocean circulation. Through a comprehensive analysis of different elements, classes, properties, spatiotemporal relationships, and inference conditions are defined to complete the construction of ocean circulation ontology. The effectiveness of ontological construction is validated through the formal expression of the Equatorial Counter Current, and an ontology-based knowledge base of ocean circulation is proposed.
JOURNAL OF MARINE SCIENCE AND ENGINEERING
(2023)
Article
Engineering, Electrical & Electronic
Wei Yin, Shengnan Li, Zhonglei Shen, Yuqing Cui, Chenglin Yang, Donghai Han, Huibo Hao, Feng Gao, Liuyang Zhang, Xuefeng Chen
Summary: Recently, there has been great interest in 3-D metamaterials with intricate geometries due to their ability to manipulate electromagnetic waves and expand the functionalities of metadevices. However, fabricating 3-D metamaterials in the terahertz regime has remained challenging. In this study, a simple and effective method using 3-D printing technology and liquid metal filling process was proposed to fabricate these 3-D metamaterials. This fabrication method was experimentally validated and proved to be promising for the development of terahertz meta-devices.
IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES
(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)
