Mononuclear iridium(III) complexes [Ir(mppy)(tpy)X] (mppy = 4-methyl-2-phenylpyridine, X = Cl, I) and binuclear analogues with various bis(2-phenylpyridin-4-yl) bridging ligands were synthesized and characterized by their spectroscopic and electrochemical properties. Kinetic measurements concerning the photocatalytic two electron reduction of CO2 to CO were investigated in order to determine the influence of intermolecular interactions between two active centers. A detailed comparison between the monometallic and the bimetallic complexes indicates an enhanced lifetime (TON) of the covalently linked complexes, causing an increased overall conversion of CO2. Additionally the deactivation pathways of the catalysts are examined.
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http://dx.doi.org/10.1039/c4dt01717j | DOI Listing |
Langmuir
January 2025
Centre for Computational and Data Sciences, Indian Institute of Technology Kharagpur, West Bengal 721302, India.
Understanding the arrangement of ionic liquids at the interface and their interactions with the surface is crucial for enhancing selectivity in heterogeneous reactions for practical applications. In this study, we investigate the nature of the adsorption and structural orientations of a sulfonyl-based ionic liquid on platinum-based mono- and bimetallic (111) surfaces employing replica exchange molecular dynamics and first-principles density functional theory calculations. More than 30 confirmations of the ionic liquid are identified on both monometallic and bimetallic surfaces.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Chemistry and the MacDiarmid Institute for Advanced Materials and Nanotechnology, University of Otago, PO Box 56, Dunedin 9054, New Zealand.
Appropriately designed catalysts help to minimise the energy required to convert the energy-poor feedstock HO into energy-rich molecular H. Herein, two families of pyridazine-based cryptates, mononuclear [MLi](BF) and mixed metal dinuclear [MCuLi](BF) (M = Fe, Co, Cu or Zn; Li is the Schiff base cryptand made by 2 : 3 condensation of tris(2-aminoethyl)amine and 3,6-diformylpyridazine), are investigated as potential electrocatalysts for the hydrogen evolution reaction (HER) in MeCN with acetic acid as the proton source. The synthesis and structures of a new mixed metal cryptate, [ZnCuLi](BF), and the tetrafluoroborate analogue of the previously reported perchlorate salt of the mono-zinc cryptate, [ZnLi](BF)·0.
View Article and Find Full Text PDFSci Rep
January 2025
Photonics Research Centre, Universiti Malaya, Kuala Lumpur, 50603, Malaysia.
Two-dimensional (2D) hexagonal boron nitride (hBN) has garnered significant attention due to its exceptional thermal and chemical stability, excellent dielectric properties, and unique optical characteristics, making it widely used in deep ultraviolet (DUV) applications. However, the integration of hBN with plasmonic materials in the visible region (532 nm) has not been fully explored, particularly in terms of morphology regulation and size control of mono- and bimetallic nanoparticles (BMNPs) namely gold (Au), silver (Ag) and Au-Ag. A Schottky junction-based metal-semiconductor contact configuration is employed to achieve hot-carrier reflections on the metal side, enhancing the quantum efficiency of the photodetector.
View Article and Find Full Text PDFLangmuir
January 2025
Department of Energy Power & Mechanical Engineering, North China Electric Power University, Baoding 071003, Hebei, China.
Cr(VI) can cause great harm to human beings and the environment and often exists in the form of HCrO̅ in aqueous environments. The adsorption characteristics of HCrO̅ on nitrogen-doped and iron-nickel-modified carbon substrates were systematically investigated using first principles. The properties of electron transfer and orbital hybridization of the substrates and HCrO̅ during the adsorption process were analyzed by electron deformation density and density of states.
View Article and Find Full Text PDFRSC Adv
December 2024
School of Engineering and Sciences, Tecnológico de Monterrey Av. Eugenio Garza Sada 2501 Monterrey 64849 N.L. Mexico +52 8183582000.
Breast cancer poses a global threat with rising incidence and high mortality. Conventional treatments, including chemotherapy, radiation, surgery, and immunotherapy, have side effects, such as resistance issues and adverse effects due to genetic mutations. Meanwhile, noble metal nanoparticles (NPs) synthesized using environmentally friendly methods offer alternative treatments.
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