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Chloride, Alkoxide, or Silicon: The Bridging Ligand Dictates the Spin State in Dicobalt Expanded Pincer Complexes.
Organometallics
January 2025
Organic Chemistry and Catalysis, Institute for Sustainable and Circular Chemistry, Faculty of Science, Utrecht University, Universiteitsweg 99, 3584 CG Utrecht, The Netherlands.
We report the synthesis and characterization of a series of high- and low-spin dicobalt complexes of the PNNP expanded pincer ligand. Reacting this dinucleating ligand in its neutral form with two equiv of CoCl(tetrahydrofuran) yields a high-spin dicobalt complex featuring one Co inside and one Co outside of the dinucleating pocket. Performing the same reaction in the presence of two equivalents of KOtBu provides access to a high-spin dicobalt complex wherein both Co centers are bound within the PNNP pocket, and this complex also features a bridging OtBu ligand.
View Article and Find Full Text PDFDefects Calculation and Accelerated Interfacial Charge Transfer in a Photoactive MOF-Based Heterojunction.
Small
January 2025
Institutes of Physical Science and Information Technology, Anhui Graphene Carbon Fiber Materials Research Center, Anhui University, Hefei, Anhui, 230601, P. R. China.
Photocatalytic hydrogen production is currently considered a clean and sustainable route to meet the energy and environmental issues. Among, heterojunction photocatalysts have been developed to improve their photocatalytic efficiency. Defect engineering of heterojunction photocatalysts is attractive due to it can perform as electron trap and change the band structure to optimize the interfacial separation rate of photogenerated electron-hole pairs.
View Article and Find Full Text PDFHigh Néel temperature and magnetism modulation in 2D pentagon-based XN (X = B, Al, and Ga) structures with spin-polarized non-metallic atoms.
Phys Chem Chem Phys
January 2025
College of Physics, Sichuan University, Chengdu, 610065, China.
Magnetic semiconductors with spin-polarized non-metallic atoms are usually overlooked in applications because of their poor performances in magnetic moments and under critical temperatures. Herein, magnetic characteristics of 2D pentagon-based XN (X = B, Al, and Ga) are revealed based on first-principles calculations. It was proven that XN structures are antiferromagnetic semiconductors with bandgaps of 2.
View Article and Find Full Text PDFEnhancement of photocatalytic CO reduction in BiOBr through chirality-induced electron spin polarization regulation.
Chem Commun (Camb)
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School of Marine Science and Engineering, Hainan University, Haikou, China.
Severe photogenerated charge carrier recombination involved in photocatalytic CO reduction leads to low photocatalytic efficiency. Here we demonstrate that a chiral hierarchical structure could facilitate charge separation in BiOBr, thus suppressing charge recombination and enhancing photocatalytic performance. Chiral helical flower-like BiOBr nanospheres were prepared a D/L-sorbitol-assisted hydrothermal process, exhibiting a 1.
View Article and Find Full Text PDFRole of spin-orbit coupling for the band splitting in ⍺-Sb and ⍺-Bi on SiC(0001).
J Phys Condens Matter
January 2025
AIMR, Tohoku University, 2-1-1, Katahira, Aoba-ku, Sendai, 980-8578, JAPAN.
Monolayer atomic thin films of group-V elements have a high potential for application in spintronics and valleytronics because of their unique crystal structure and strong spin-orbit coupling. We fabricated Sb and Bi monolayers on a SiC(0001) substrate by the molecular-beam-epitaxy method and studied the electronic structure by angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. The fabricated Sb film shows the (√3×√3)R30º superstructure associated with the formation of ⍺-Sb, and exhibits a semiconducting nature with a band gap of more than 1.
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