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Magnetic van der Waals (vdW) heterostructures (HSs), whose interface engineering enables versatile manipulation of charge and spin transfer, have received considerable interest. However, the dynamics underlying these exotic interfacial phenomena require deeper investigation. In this work, we investigated the interfacial charge transfer dynamics in a HS comprising layered antiferromagnetic NiPS and transition metal dichalcogenide WS. Under resonant excitation of WS, we observed significant enhancement of the - transition in NiPS, driven by the charge transfer from the WS to Ni 3 orbital. Additionally, an anomalous enhancement of trion emission in WS was observed, accompanied by a relatively slow (∼23 ps) charge transfer from NiPS to WS, attributed to the localized feature of Ni 3 orbitals. Our findings highlight the unique localization property of the -orbital in magnetic materials and provide valuable insights into the interfacial dynamics of magnetic vdW HS, which are fundamentally important for designing novel devices.
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http://dx.doi.org/10.1021/acs.jpclett.5c02123 | DOI Listing |
Inorg Chem
September 2025
Laboratoire de Chimie Physique Matière et Rayonnement (LCPMR), CNRS UMR 7614, Sorbonne Université (SU), 4 place Jussieu, Paris 75005, France.
The one-photon KV X-ray photoelectron spectra of Na and its hydrated clusters [Na(HO)] ( = 1-6) are dominated by the unusual 1s → 1s3s transition. KV spectroscopy also reveals a pronounced redistribution of the 1s → 1s3p transition cross sections, directly correlated with hydration number and molecular arrangement. Its intrinsic two-step nature, involving simultaneous core ionization and core excitation, enables detailed investigation of solvation-induced electronic structure changes, including dipole-forbidden excitations, core-valence charge transfer, and subtle 1s → V energy shifts.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
State Key Laboratory of Chemistry for NBC Hazards Protection, College of Chemistry, Fuzhou University, Fuzhou 350116, P. R. China.
The activation of methane and other gaseous hydrocarbons at low temperature remains a substantial challenge for the chemistry community. Here, we report an anaerobic photosystem based on crystalline borocarbonitride (BCN) supported Fe-O nanoclusters, which can selectively functionalize C-H bonds of methane, ethane, and higher alkanes to value-added organic chemicals at 12 °C. Scanning transmission electron microscopy and X-ray absorption spectroscopy corroborated the ultrafine FeOOH and FeO species in Fe-O clusters, which enhanced the interfacial charge transfer/separation of BCN as well as the chemisorption of methane.
View Article and Find Full Text PDFInorg Chem
September 2025
Yunnan Key Laboratory of Crystalline Porous Organic Functional Materials, College of Chemical and Materials Engineering, Qujing Normal University, Qujing 655011, China.
Sequential assembly of donor-acceptor components at the molecular level within a MOF is an effective strategy to achieve efficient electron-hole separation for enhancing the activity of photocatalysts. Meanwhile, the highly efficient and selective functionalization of tetrahydroisoquinoline (THIQ) under mild conditions remains an urgent demand in both the scientific and industrial communities. This work reports a donor-acceptor MOF photocatalyst () constructed by the coordinated assembly of donor and acceptor components, in which a naphthalene unit serves as an electron donor and a perylenediimide unit as an electron acceptor.
View Article and Find Full Text PDFLangmuir
September 2025
Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati, Assam 781039, India.
Simultaneous sensing and quantification of pharmaceutically active compounds (PhACs) are crucial for protecting the environment and maintaining long-term ecological sustainability. This study focuses on the bio-based synthesis of BiS-ZnO nanocomposites (BiS-ZnO(bio)) using bio-extract for dual-analyte selective and simultaneous electrochemical monitoring of phenylbutazone (PBZ) and sulfamethoxazole (SMZ) in the environmental matrices. BiS-ZnO(bio) exhibited ZnO(bio) nanostructures embedded on BiS(bio) nanorods with an average rod length of 1409.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan University of Science and Technology, Xiangtan, 411201, P. R. China.
Additive assisted strategies play a crucial role in optimizing the morphology and improving the performance of organic solar cells (OSCs), yet the molecular-level mechanisms remain unclear. Here, we employ molecular dynamics (AIMD) and density functional theory (DFT) to elucidate the influence of typical additives of 1,8-diiodooctane (DIO) and 3,5-dichlorobromobenzene (DCBB) on molecular packing, electronic structures, and charge transport. It can be observed that both additives can enhance the stacking properties of the donor and acceptor materials, yet they have different effects on the local electrostatic environment.
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