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Enhancing CO Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways.
Biomimetics (Basel)
December 2024
Entropic Interface Group, Engineering Product Development, Singapore University of Technology and Design, 8 Somapah Road, Singapore 487372, Singapore.
Inspired by our recent success in designing CO-phobic and CO-philic domains on nano-MgO for effective CO adsorption, our ongoing efforts focus on incorporating dopants into pristine MgO to further enhance its CO adsorption capabilities. However, a clear set of guidelines for dopant selection and a holistic understanding of the underlying mechanisms is still lacking. In our investigation, we combined first-principles calculations with experimental approaches to explore the crystal and electronic structural changes in MgO doped with high-valence elements (Al, C, Si, and Ti) and their interactions with CO.
View Article and Find Full Text PDFFermi Level Shifts of Organic Semiconductor Films in Ambient Air.
ACS Appl Mater Interfaces
January 2025
Laboratory of Organic Electronics, Department of Science and Technology (ITN), Linköping University, Norrköping SE-60174, Sweden.
Here, the Fermi level () shifts of several donor and acceptor materials in different atmospheres are systematically studied by following the work function (WF) changes with Kelvin probe measurements, ultraviolet photoelectron spectroscopy, and near-ambient pressure X-ray photoelectron spectroscopy. Reversible shifts are found with the trend of higher WFs measured in ambient air and lower WFs measured in high vacuum compared to the WFs measured in ultrahigh vacuum. The shifts are energy level and morphology-dependent, and two mechanisms are proposed: (1) competition between p-doping induced by O and HO/O complexes and n-doping induced by HO; (2) polar HO molecules preferentially modifying the ionization energy of one of the frontier molecular orbitals over the other.
View Article and Find Full Text PDFVanadium-Doped Heterogeneous Bimetallic Phosphides Derived from Layered Double Hydroxides for Saline Water Splitting.
Small
October 2024
State Key Laboratory of Chemistry and Utilization of Carbon Based Energy Resources, College of Chemistry, Xinjiang University, Urumqi, Xinjiang, 830017, P. R. China.
The development of energy- and time-saving synthetic methods to prepare bifunctional and high stability catalysts are vital for overall water splitting. Here, V-doped nickel-iron hydroxide precursor by etching NiFe foam (NFF) at room temperature with dual chloride solution ("NaCl-VCl3"), is obtained then phosphating to obtain V-NiP-FeP/NFF as efficient bifunctional (oxygen/hydrogen exchange reaction, OER/HER) electrocatalysts, denoted as NFF(V, Na)-P. The NFF(V, Na)-P requires only 185 and 117 mV overpotentials to reach 10 mA cm for OER and HER.
View Article and Find Full Text PDFHCOO Doping-Induced Multiexciton Emissions in CsCuI Crystals for Efficient X-Ray Scintillation.
Small
August 2024
State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun, 130012, China.
Self-trapped exciton (STE) luminescence, typically associated with structural deformation of excited states, has attracted significant attention in metal halide materials recently. However, the mechanism of multiexciton STE emissions in certain metal halide crystals remains largely unexplored. This study investigates dual luminescence emissions in HCOO doped CsCuI single crystals using transient and steady-state spectroscopy.
View Article and Find Full Text PDFNonmetal Atom Doping Induced Orbital Shifts and Charge Modulation at the Edge of Two-Dimensional Boron Carbonitride Leading to Enhanced Photocatalytic Nitrogen Reduction.
J Am Chem Soc
March 2024
Yunnan Key Laboratory for Micro/Nano Materials & Technology, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming 650091, China.
Electronic structure, particularly charge state analysis, plays a crucial role in comprehending catalytic mechanisms. This study focuses on metal-free boron carbonitride (BCN) nanosheets as a case study to investigate the impact of heteroatom doping on the charge state of active sites at the edge of two-dimensional (2D) metal-free nanomaterials. Our observations revealed that the doping induces a shift in the frontier p orbital near the Fermi level, accompanied by alterations in its charge state.
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