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The burgeoning field of optoelectronic devices necessitates a mechanism that gives rise to a large contrast in the electrical and optical properties. A SmTe film with a NaCl-type structure demonstrates significant differences in resistivity (over 10) and band gap (approximately 1.45 eV) between as-deposited and annealed films, even in the absence of a structural transition. The change in the electronic structure and accompanying physical properties is attributed to a rigid-band shift triggered by a valence transition (VT) between Sm and Sm. The stress field within the SmTe film appears closely tied to the mixed valence state of Sm, suggesting that stress is a driving force in this VT. By mixing the valence states, the formation energy of the low-resistive state decreases, providing nonvolatility. Moreover, the valence state of Sm can be regulated through annealing and device-operation processes, such as applying voltage and current pulses. This investigation introduces an approach to developing semiconductor materials for optoelectrical applications.
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http://dx.doi.org/10.1021/acsnano.3c07960 | DOI Listing |
J Phys Chem Lett
September 2025
School of Mathematics and Computer Science, Gannan Normal University, Ganzhou, 341000, China.
This study integrates machine learning (ML) and density functional theory (DFT) to systematically investigate the oxygen electrocatalytic activity of two-dimensional (2D) TM(HXBHYB) (HX/YB = HIB (hexaaminobenzene), HHB (hexahydroxybenzene), HTB (hexathiolbenzene), and HSB (hexaselenolbenzene)) metal-organic frameworks (MOFs). By coupling transition metals (TM) with the above ligands, stable 2D TM(HXBHYB)@MOF systems were constructed. The Random Forest Regression (RFR) model outperformed the others, revealing the intrinsic relationship between the physicochemical properties of 2D TM(HXBHYB)@MOF and their ORR/OER overpotentials.
View Article and Find Full Text PDFInorg Chem
September 2025
Department of Energy Science and Engineering, Indian Institute of Technology Bombay, Mumbai 400076, India.
A potential replacement that alleviates the shortcomings of the dominant light absorber materials used in solar photovoltaics has been synthesized, and its microstructural, electronic structure, and optical properties have been investigated. KCuS crystals were synthesized by the carbonate method. Transmission electron microscopy (TEM) established [010] as the growth direction of the needle-like monoclinic crystals.
View Article and Find Full Text PDFACS Nano
September 2025
Insitut für Physik and Center for the Science of Materials Berlin, Humboldt-Universität zu Berlin, Berlin 12489, Germany.
Electric gating in atomically thin field-effect devices based on transition-metal dichalcogenides has recently been employed to manipulate their excitonic states, even producing exotic phases of matter, such as an excitonic insulator or Bose-Einstein condensate. Here, we mimic the electric gating effect of a bilayer-MoS on graphite by charge transfer induced by the adsorption of molecular p- and n-type dopants. The electric fields produced are evaluated from the electronic energy-level realignment and Stark splitting determined by X-ray and UV photoelectron spectroscopy measurements and compare very well with literature values obtained by optical spectroscopy for similar systems.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.
Layered van der Waals (vdW) materials, characterized by their interlayer vdW gaps, offer exceptional tunability of magnetic properties via intercalation chemistry. A wide range of magnetic behaviors have been observed in nonmagnetic transition-metal dichalcogenides intercalated with magnetic atoms. Beyond the incorporation of magnetic ions, we propose the controlled alkali-ion intercalation of intrinsic vdW magnets as a strategy to probe and manipulate spin populations and exchange interactions within individual magnetic layers.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2025
Department of Chemical Engineering, Shanghai Electrochemical Energy Devices Research Center, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China.
High-energy lithium-ion batteries necessitate stable Ni-rich layered cathodes, yet critical challenges such as lattice distortion and surface structure collapse remain unresolved. While conventional high-valence doping greatly alleviates surface degradations, it is ineffective in stabilizing bulk lattice due to dopant segregation. Here, we propose a slightly Li-rich (SLR) lattice design by partially substituting transition-metal (TM) ions with Li ions in TM layers, reducing electrostatic repulsion against high-valence dopants.
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