Article
Engineering, Electrical & Electronic
Michael Solomentsev, Alex J. Hanson
Summary: Magnetic components for power conversion often use magnetic cores to reduce losses and improve performance. However, at high frequencies, air-core components may be preferred due to poor core materials. This study demonstrates that magnetic-core inductors can outperform air-core inductors at frequencies up to tens of megahertz, based on currently available magnetic materials. These findings have important implications for applications in industrial, scientific, and medical frequency bands.
IEEE TRANSACTIONS ON POWER ELECTRONICS
(2023)
Article
Pharmacology & Pharmacy
Kinjal Sethuraman, Stephen. R. R. Thom
Summary: This review summarizes the mechanisms of injury caused by carbon monoxide (CO) and provides current information on the efficacy of hyperbaric oxygen therapy (HBOT). The findings suggest that HBOT is a necessary treatment for acute CO poisoning and is supported by a wealth of basic science and clinical research.
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Ivano Alessandri, Fabrizio Torricelli, Beatrice Cerea, Michele Speziani, Paolo Romele, Zsolt Miklos Kovacs-Vajna, Irene Vassalini
Summary: In this study, the rationale of using PEDOT:PSS for Raman sensing was investigated through systematic experiments. The results showed that the Raman spectra of PEDOT:PSS accurately reflect its conformation and interactions with PSS. However, it was found that the same effects could be achieved by increasing the concentration of nonoxidizing electrolytes or deprotonating PSS chains, which poses limitations to the use of PEDOT:PSS for this type of Raman sensing.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Instruments & Instrumentation
Joana Vieira Costa, Jaime Portugal, Cristina Bettencourt Neves, Ana F. Bettencourt
Summary: Biomaterial-based drug delivery systems (DDS) are gaining attention in dentistry for their potential use in various oral pathologies, yet challenges such as compromised biofunctionality and microbial resistance need to be addressed for widespread adoption.
DRUG DELIVERY AND TRANSLATIONAL RESEARCH
(2022)
Review
Clinical Neurology
Claus Z. Simonsen, Thabele M. Leslie-Mazwi, Gotz Thomalla
Summary: Reperfusion therapy has been shown to be effective for stroke with unknown time of onset, but challenges in clinical practice exist due to variability in data and different imaging paradigms. Physicians need to consider which imaging approach to use when guiding reperfusion treatment for these patients.
Article
Pharmacology & Pharmacy
Andrew Dawson
Summary: Physostigmine is the preferred treatment for antimuscarinic toxicity, with a clear biological rationale and extensive clinical evidence demonstrating its effectiveness and safety.
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY
(2022)
Article
Spectroscopy
Kevin Finch, Dong Zhang, Yue She, Aldo Hernandez, Gerardo Gamez
Summary: This review provides a brief explanation of the theory and experimental requirements of Thomson scattering, as well as highlights novel instrumentation advances and insights about chemical analysis plasmas discovered in recent TS publications that were previously not covered in other reviews.
SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
(2021)
Article
Health Care Sciences & Services
Patrick Taffe
Summary: The Bland and Altman limits of agreement method is commonly used to compare two measurement methods for continuous outcomes, but may not be suitable in cases where the assumptions are violated. In such situations, alternative statistical methods that require repeated measurements by at least one method should be considered.
JOURNAL OF CLINICAL EPIDEMIOLOGY
(2021)
Article
Computer Science, Interdisciplinary Applications
Sumiko Asai
Summary: This study investigated the characteristics of three databases compiling article processing charges in open access journals. The results showed that there were discrepancies in the data collected by different databases, but there was a strong positive relationship between list prices and actual article processing charges paid.
Article
Hematology
Andreas Tiede, Bettina Kemkes-Matthes, Paul Knoebl
Summary: Emicizumab has shown success in preventing bleeding in patients with congenital hemophilia A and is being considered for potential use in acquired hemophilia A. Current management involves bypassing agents and immunosuppressive therapy, but Emicizumab could be a promising alternative approach to treatment.
JOURNAL OF THROMBOSIS AND HAEMOSTASIS
(2021)
Article
Computer Science, Interdisciplinary Applications
Sumiko Asai
Summary: This study investigated the characteristics of three databases collecting article processing charges for open access journals. The findings suggest that although there are differences in data collection methods and the number of journals included, the choice of database may not significantly influence the conclusions of empirical studies on article processing charges.
Review
Ecology
Martin A. Nunez, Kimberley T. Davis, Romina D. Dimarco, Duane A. Peltzer, Juan Paritsis, Bruce D. Maxwell, Anibal Pauchard
Summary: While intentionally allowing or promoting invasion by non-native trees into treeless areas may contribute to climate-change mitigation, it presents significant drawbacks and negative impacts. The potential benefits of increased carbon sequestration must be weighed against the risks to biodiversity, economic opportunities, and water yield.
FRONTIERS IN ECOLOGY AND THE ENVIRONMENT
(2021)
Article
Health Care Sciences & Services
Harriette Johanna van Esch, Margret L. Campbell, Masanori Mori, Takayashi Yamaguchi
Summary: Death rattle is a common symptom in the dying phase and has different opinions regarding its management among experts. While explanation and reassurance may be sufficient, medication could be considered for relieving the symptom, especially considering the burden on relatives. The assessment and treatment of death rattle in the dying phase remains a matter of debate and further research is needed.
JOURNAL OF PAIN AND SYMPTOM MANAGEMENT
(2023)
Article
Respiratory System
Gunay Rona, Meral Arifoglu, Nuray Voyvoda, Ayse Batirel
Summary: The study aimed to investigate the diagnostic value of chest CT in RT-PCR-negative patients with suspected COVID-19. Results showed that the diagnostic value of CT was not very high, and based on clinical, laboratory, and chest x-ray findings, it may be more appropriate to refer patients to CT when necessary.
CLINICAL RESPIRATORY JOURNAL
(2021)
Article
Pharmacology & Pharmacy
Ari B. Filip, Michael E. Mullins
Summary: Growing clinical and basic science data support the use of fomepizole as an adjunct to N-acetylcysteine in paracetamol poisoning, particularly in severely poisoned patients.
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Paul Geerlings, Frank De Proft
Summary: The necessity of incorporating new external variables in the context of conceptual DFT (CDFT) is discussed. Electric and magnetic fields, mechanical forces, and confinement are proposed as valuable new variables. The study shows that these new variables are important for understanding chemical phenomena under different conditions.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Organic
Mercedes Alonso, Frank De Proft, Tom Bettens, Paul Geerlings
Summary: Anti-Felkin-Anh diastereoselectivity can be achieved by stretching the ketone with a mechanical pulling force. A mechanochemical Felkin-Anh model is proposed based on the distance between the pulling points. The model is validated by density functional theory calculations and the risk of bond rupture is minimized.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Ana V. Cunha, Remco W. A. Havenith, Jari van Gog, Freija De Vleeschouwer, Frank De Proft, Wouter Herrebout
Summary: In this study, the interaction between the halogen atom X and the aromatic ring in the halogen bond complexes CF(3)Xmiddot middot middot Y and C(2)F(3)Xmiddot middot middot Y (with Y = furan, thiophene, selenophene and X = Cl, Br, I) was investigated using DFT and CCSD(T) methods. It was found that the interaction with the pi-bonds in a perpendicular orientation is stronger than the interaction with the in-plane lone pairs of the heteroatom of the aromatic cycle. The interaction energy is dominated by electrostatic, orbital, and dispersion interactions, and the strength of the interaction follows the trend Cl < Br < I.
Article
Chemistry, Multidisciplinary
Stephen E. Brown, Ioanna Mantaloufa, Ryan T. Andrews, Thomas J. Barnes, Martin R. Lees, Frank De Proft, Ana V. Cunha, Sebastian D. Pike
Summary: The molecular titanium-oxo cluster [Ti6O6((OPr)-Pr-i)(6)((O2CBu)-Bu-t)(6)] (1) can be activated by UV light to produce a mixed valent (photoreduced) Ti (iii/iv) cluster, along with alcohol and ketone organic products. Mechanistic studies show a two-electron mechanism utilizing the cluster structure for multielectron reactions. The photoreduced products [Ti6O6((OPr)-Pr-i)(4)((O2CBu)-Bu-t)(6)(sol)(2)] can be isolated and characterized, and undergo onward oxidation under air. The redox reactivity described is only possible in a cluster with multiple Ti sites.
Article
Chemistry, Inorganic & Nuclear
Bin Wang, Chunying Rong, Ming Lei, Shubin Liu, Frank De Proft
Summary: Designing efficient and selective catalysts for carbon dioxide reduction is an active area of research in homogeneous catalysis. In this study, the catalytic activity of a newly reported Mn(I)-PNP-pincer catalyst with an embedded aromatic ring is investigated. The study systematically examines the catalyst's capability to yield different products and explores the importance of ligand aromaticity and steric effects on metal-ligand cooperativity. The reactivity of the catalyst is probed using conceptual density functional theory and an information-theoretic approach, leading to a novel partitioning of the reaction coordinate into three relevant regions. The results demonstrate that different properties govern the reactivity in these different regions, such as steric effects, electrophilicity/nucleophilicity, or aromaticity. The methodology and analytical tools employed in this study have the potential to be generalized and extended to other catalytic systems, offering insights towards designing improved catalysts.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Lise Vermeersch, Frank De Proft, Vicky Faulkner, Freija De Vleeschouwer
Summary: This study analyzed the governing factors in Lewis acid and non-covalent catalysis of three types of Diels-Alder reactions. The stability of the non-covalent interaction donor-dienophile complex was found to significantly reduce the activation energy. Orbital interactions were shown to be the main driver for catalysis, with electrostatic interactions dominating.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Andrea Echeverri, Miguel Gallegos, Tatiana Gomez, Angel Martin Pendas, Carlos Cardenas
Summary: Since its introduction in 1990, the electron localization function (ELF) has become a widely used technique for studying chemical bonding. Although initially developed for ground-state reactivity, there is now interest in applying ELF to excited states and photochemistry. However, accurate calculations of excited states require considering electron correlation, which cannot be achieved using the standard ELF formulation. This study compares the results of exact and approximate ELF calculations based on the two-particle density matrix, and suggests that even approximate methods can accurately reproduce the features of the ELF scalar field, facilitating the use of cost-effective methodologies in studying excited state chemistry.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Bin Wang, Paul Geerlings, Christian Van Alsenoy, Farnaz Heider-Zadeh, Paul W. Ayers, Frank De Proft
Summary: The linear response function has been successful in time-dependent density functional theory, but its application in chemical reactivity has received less attention. In this work, the robustness of the linear response function is assessed at different approximation levels. The independent particle approximation yields qualitatively correct results, but for quantitative results, the inclusion of Coulomb and exchange-correlation terms is necessary.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Biochemistry & Molecular Biology
Dongbo Zhao, Xin He, Paul W. Ayers, Shubin Liu
Summary: Accurately and efficiently determining the polarizabilities of excited states is a challenge in both experimental and computational studies. This research demonstrates that density-based functions can be used to predict excited-state polarizabilities and verifies their correlation and predictability through experiments.
Article
Chemistry, Physical
Xin He, Tian Lu, Chunying Rong, Shubin Liu, Paul W. Ayers, Wenjian Liu
Summary: Considerable research interest has been observed in recent literature regarding the development and applications of information-theoretic approach (ITA) quantities in density functional theory. These ITA quantities are explicit density functionals with continuous and well-behaved local distributions in real space. By systematically analyzing the topological behavior of four representative ITA quantities, namely Shannon entropy, two forms of Fisher information, and relative Shannon entropy, our work further develops ITA. The topological analyses for 103 molecular systems provide new insights into bonding interactions and physiochemical properties, such as electrophilicity, nucleophilicity, acidity, and aromaticity. Comparisons with results from other functions demonstrate the potential of our results as a methodological approach and practical tool for elucidating chemical bonding and reactivity propensity.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Alireza Tehrani, James S. M. Anderson, Debajit Chakraborty, Juan I. Rodriguez-Hernandez, David C. Thompson, Toon Verstraelen, Paul W. Ayers, Farnaz Heidar-Zadeh
Summary: The numerical ill-conditioning of approximating electron density with convex sums of Gaussian or Slater-type functions is solved using the (extended) Kullback-Leibler divergence. The optimized densities are accurate for molecular similarity, electron density topology, and numerical molecular integration applications. This robust approach can fit any non-negative normalized functions to convex sums of non-negative basis functions and is compared to gradient-based optimization methods using a fixed-point iteration method.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Ramon Alain Miranda-Quintana, Alberto Vela, Frank De Proft, Marco Martinez Gonzalez, Jose L. Gazquez
Summary: The hard/soft acid/base (HSAB) principle is fundamental to understanding chemical reactivity preferences. However, the local HSAB principle often fails in making accurate predictions for regioselectivity preferences. By considering both the charge transferred between reacting centers and the charge reorganization within non-reacting parts of the molecule, we propose different reorganization models and corresponding regioselectivity rules.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Chemistry, Physical
Mercedes Alonso, Tom Bettens, Jochen Eeckhoudt, Paul Geerlings, Frank De Proft
Summary: Mechanochemistry has undergone a renaissance in recent years, with a remarkable interplay between theory and experiment at the molecular level. Quantum mechanochemistry has incorporated various quantum-chemical methods to investigate the impact of external mechanical forces on molecular properties. This contribution provides an overview of recent work on quantum mechanochemistry, covering fundamental topics on reactivity descriptors and applied topics on molecular force probes and stereoselectivity tuning.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Jack T. Taylor, David J. Tozer, Basile F. E. Curchod
Summary: Conical intersections are fundamental to understanding ultrafast, nonadiabatic processes in photochemistry. However, accurately calculating potential energy surfaces near conical intersections remains a challenge for popular electronic structure methods. This study focuses on conical intersections between excited electronic states and evaluates the performance of different methods in describing their topology and topography.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Andrea Echeverri, Candice Botuha, Tatiana Gomez, Eleonora Luppi, Julia Contreras-Garcia, Carlos Cardenas
Summary: Fluorescent probes that can sense the biological medium are extremely important in medical diagnostics. This paper showcases the in-silico design of potential fluorescent biomarkers that fulfill two important conditions - emission wavelength within the optical window of 650 to 950 nm and a large Stokes shift, greater than 150 nm.
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)