WO is a 5d compound that undergoes several structural transitions in its bulk form. Its versatility is well-documented, with a wide range of applications, such as flexopiezoelectricity, electrochromism, gating-induced phase transitions, and its ability to improve the performance of Li-based batteries. The synthesis of WO thin films holds promise in stabilizing electronic phases for practical applications. However, despite its potential, the electronic structure of this material remains experimentally unexplored. Furthermore, its thermal instability limits its use in certain technological devices. Here, we employ tensile strain to stabilize WO thin films, which we call the pseudotetragonal phase, and investigate its electronic structure using a combination of photoelectron spectroscopy and density functional theory calculations. This study reveals the Fermiology of the system, notably identifying significant energy splittings between different orbital manifolds arising from atomic distortions. These splittings, along with the system's thermal stability, offer a potential avenue for controlling inter- and intraband scattering for electronic applications.
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http://dx.doi.org/10.1021/acs.jpclett.3c01546 | DOI Listing |
Adv Sci (Weinh)
January 2025
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, Maharashtra, 400076, India.
Stabilizing large easy-axis type magnetic anisotropy in molecular complexes is a challenging task, yet it is crucial for the development of information storage devices and applications in molecular spintronics. Achieving this requires a deep understanding of electronic structure and the relationships between structure and properties to develop magneto-structural correlations that are currently unexplored in the literature. Herein, a series of five-coordinate distorted square pyramidal Co complexes [Co(L)(X)].
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw, Poland.
The development of stable and tunable polycyclic aromatic compounds (PACs) is crucial for the advancement of organic optoelectronics. Conventional PACs, such as acenes, often suffer from poor stability due to photooxidation and oligomerization, which are linked to their frontier molecular orbital energy levels. To address these limitations, we designed and synthesized a new class of π-expanded indoloindolizines by merging indole and indolizine moieties into a single polycyclic framework.
View Article and Find Full Text PDFJ Taibah Univ Med Sci
December 2024
Universitas Nasional, Department of Biology, South Jakarta, Indonesia.
Objectives: Dementia, a growing concern globally, affects more than 55 million people-a number projected to rise to 152 million by 2050. Current medications target Alzheimer's disease, the most prevalent form of dementia. This study investigated L.
View Article and Find Full Text PDFiScience
January 2025
Department of Artificial Intelligence, Hanyang University, Seoul 04763, South Korea.
We present a Fourier neural operator (FNO)-based surrogate solver for the efficient optimization of wavefronts in tunable metasurface controls. Existing methods, including the Gerchberg-Saxton algorithm and the adjoint optimization, are often computationally demanding due to their iterative processes, which require numerical simulations at each step. Our surrogate solver overcomes this limitation by providing highly accurate gradient estimations with respect to changes in tunable meta-atoms without the need for direct simulations.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Hunan University, Chemistry and Chemical Engineering, Lushan South Road, Yuelu District, 410082, Changsha, CHINA.
Site density and turnover frequency are the two fundamental kinetic descriptors that determine the oxygen reduction activity of iron-nitrogen-carbon (Fe-N-C) catalysts. However, it remains a grand challenge to simultaneously optimize these two parameters in a single Fe-N-C catalyst. Here we show that treating a typical Fe-N-C catalyst with ammonium iodine (NH4I) vapor via a one-step chemical vapor deposition process not only increases the surface area and porosity of the catalyst (and thus enhanced exposure of active sites) via the etching effect of the in-situ released NH3, but also regulates the electronic structure of the Fe-N4 moieties by the iodine dopants incorporated into the carbon matrix.
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