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Direct Observation of Hybridization Between Co 3d and S 2p Electronic Orbits: Moderating Sulfur Covalency to Pre-Activate Sulfur-Redox in Lithium-Sulfur Batteries.
Adv Sci (Weinh)
December 2024
Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin, Heilongjiang, 150025, China.
Lithium-sulfur batteries (LSBs) offer high energy density and environmental benefits hampered by the shuttle effect related to sluggish redox reactions of long-chain lithium polysulfides (LiPSs). However, the fashion modification of the d-band center in separators is still ineffective, wherein the mechanism understanding always relies on theoretical calculations. This study visibly probed the evolution of the Co 3d-band center during charge and discharge using advanced inverse photoemission spectroscopy/ultraviolet photoemission spectroscopy (IPES/UPS), which offers reliable evidence and are consistent well with theoretical calculations.
View Article and Find Full Text PDFInterfacial electronic state between hexagonal ZnO and cubic NiO.
RSC Adv
May 2024
Department of New Energy Science and Engineering, School of Energy and Chemical Engineering, Xiamen University Malaysia Sepang 43900 Malaysia
The interface of two dissimilar materials gives rise to a myriad of interesting structural, magnetic, and electronic properties that may be utilized to produce novel materials with unique characteristics and functions. In particular, growing a cubic oxide film on top of a hexagonal oxide substrate results in such unique properties due to the conflict of their respective stabilization mechanisms within the interface layer. This study aims to elucidate the electronic properties of the interface between hexagonal ZnO and cubic NiO by analyzing the interface electronic states within epitaxial NiO films grown on ZnO substrates, expressed in the form of ultraviolet photoemission spectroscopy (UPS) for valence band structure and X-ray absorption spectroscopy (XAS) spectra for conduction band structure.
View Article and Find Full Text PDFA Comparative XPS, UV PES, NEXAFS, and DFT Study of the Electronic Structure of the Salen Ligand in the H(Salen) Molecule and the [Ni(Salen)] Complex.
Int J Mol Sci
June 2023
Department of Solid State Electronics, V.A. Fock Institute of Physics, St. Petersburg State University, 7/9 Universitetskaya nab., 199034 Saint Petersburg, Russia.
A comparative study of the electronic structure of the salen ligand in the H(Salen) molecule and the [Ni(Salen)] complex was performed using the experimental methods of XPS, UV PES, and NEXAFS spectroscopy along with DFT calculations. Significant chemical shifts of +1.0 eV (carbon), +1.
View Article and Find Full Text PDFZero Threshold for Water Adsorption on MAPbBr.
Small
October 2023
Department of Chemistry, University College London, London, WC1H 0AJ, UK.
Hybrid organic-inorganic perovskites (HOIPs) have shown great promise in a wide range of optoelectronic applications. However, this performance is inhibited by the sensitivity of HOIPs to various environmental factors, particularly high levels of relative humidity. This study uses X-ray photoelectron spectroscopy (XPS) to determine that there is essentially no threshold to water adsorption on the in situ cleaved MAPbBr (001) single crystal surface.
View Article and Find Full Text PDFProtein Orientation Defines Rectification of Electronic Current via Solid-State Junction of Entire Photosystem-1 Complex.
J Phys Chem Lett
March 2023
Department of Molecular Chemistry & Materials Science, Weizmann Inst. of Science, Rehovot 7610001, Israel.
We demonstrate that the direction of current rectification via one of nature's most efficient light-harvesting systems, the photosystem 1 complex (PS1), can be controlled by its orientation on Au substrates. Molecular self-assembly of the PS1 complex using four different linkers with distinct functional head groups that interact by electrostatic and hydrogen bonds with different surface parts of the entire protein PS1 complex was used to tailor the PS1 orientation. We observe an orientation-dependent rectification in the current-voltage characteristics for linker/PS1 molecule junctions.
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