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1.
J Fluoresc ; 2024 Mar 23.
Artigo em Inglês | MEDLINE | ID: mdl-38520621

RESUMO

In the paper, we have successfully prepared hexagonal boron nitride (h-BN:Tb3+, Ce3+) phosphors with melamine as the nitrogen source. The X-ray powder diffraction patterns confirm that the sample possesses a hexagonal crystal structure within the P 6 ¯ m2 space group. It is interesting that the co-doping combination of Tb3+ and Ce3+ can markedly enhance the threshold concentration of doped activators within the limited solid solution of h-BN phosphors. Under 302 nm excitation, the h-BN:Ce3+ phosphors exhibit broadband blue light emission at 406 nm. In h-BN:Tb3+, Ce3+ phosphors, the co-doping of Ce3+ not only ensures high phase purity but also results in strong green light emission. The energy transfer efficiency from Ce3+ to Tb3+ is about 55%. The fluorescence lifetime increases with the increase of Ce3+ and Tb3+ concentration, and the fluorescence lifetime of h-BN:0.025Tb3+, 0.05Ce3+ phosphor reached 2.087 ms. Additionally, the h-BN:0.025Tb3+, 0.05Ce3+ phosphor exhibits excellent thermal performance with an activation energy value of 0.2825 eV. Moreover, the photoluminescence quantum yield of the sample exceeds 52%. Therefore, the h-BN:Tb3+, Ce3+ samples can be used as green phosphors for solid state lighting and fluorescent labeling.

2.
Inorg Chem ; 62(25): 9882-9891, 2023 Jun 26.
Artigo em Inglês | MEDLINE | ID: mdl-37314892

RESUMO

Two new purely inorganic cationic tellurite networks of Group IB metal-based tetrafluoroborates, namely, [Cu2F(Te2O5)](BF4), 1, and [Ag18O2(Te4O9)4(Te3O8)(BF4)2]·2HBF4, 2, have been hydrothermally synthesized under mild conditions. The prepared materials have been characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR and Raman spectroscopy, SEM-energy-dispersive spectroscopy, UV-vis-NIR diffuse reflectance, magnetic study, and TG analyses. Single-crystal diffraction studies show that both materials have similar cationic Cu/Ag tellurite layers with tetrafluoroborates as interlamellar charge-balancing anions. Magnetic results indicate that [Cu2F(Te2O5)](BF4), 1, exhibits a mainly short-range antiferromagnetic ordering within the 2D layer, and further detailed analysis of magnetic susceptibility analysis confirms a spin-singlet ground state with an energy gap of 85 K.

3.
Org Lett ; 26(26): 5472-5477, 2024 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-38913068

RESUMO

Three dithio-fused boron dipyrromethenes (BODIPYs), DTFB-1, DTFB-2, and DTFB-3, in which symmetrically S-heteroaromatic ring units fused at [a], zigzag, and [b] bonds of the parent BODIPY core, respectively, were prepared from the facile and efficient post-functionalization of tetra-halogenated BODIPYs through Pd-catalyzed cyclization. Dithio-fusion at various positions of BODIPY effectively tunes their photophysical properties and single-crystal structural packing arrangements. The single-crystalline microribbons of DTFB-2 exhibit commendable hole mobilities in air, reaching up to 0.03 cm2 V-1 s-1.

4.
Acta Crystallogr Sect E Struct Rep Online ; 65(Pt 5): o1135, 2009 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-21583944

RESUMO

In the title compound, C(31)H(27)N(3), the cyclo-hexene ring has an envelope configuration. In the crystal structure, there is an 34 Å(3) void around the inversion center, but the low electron density (0.13 e Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupying this void. No hydrogen bonding is found in the crystal structure.

5.
ACS Nano ; 11(6): 6065-6073, 2017 06 27.
Artigo em Inglês | MEDLINE | ID: mdl-28570805

RESUMO

Silica can be converted to silicon by magnesium reduction. Here, this classical reaction is renovated for more efficient preparation of silicon nanoparticles (nano-Si). By reducing the particle size of the starting materials, the reaction can be completed within 10 min by mechanical milling at ambient temperature. The obtained nano-Si with high surface reactivity are directly reacted with 1-pentanol to form an alkoxyl-functionalized hydrophobic colloid, which significantly simplifies the separation process and minimizes the loss of small Si particles. Nano-Si in 5 g scale can be obtained in one single batch with laboratory scale setups with very high yield of 89%. Utilizing the excellent dispersion in ethanol of the alkoxyl-functionalized nano-Si, surface carbon coating can be readily achieved by using ethanol soluble oligomeric phenolic resin as the precursor. The nano-Si after carbon coating exhibit excellent lithium storage performance comparable to the state of the art Si-based anode materials, featured for the high reversible capacity of 1756 mAh·g-1 after 500 cycles at a current density of 2.1 A·g-1. The preparation approach will effectively promote the development of nano-Si-based anode materials for lithium-ion batteries.

6.
J Chem Phys ; 124(17): 174711, 2006 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-16689594

RESUMO

The ground state (S(0)) and the lowest singlet excited state (S(1)) of a newly synthesized red fluorescent material, 2-[3-(2-{4-[(2-Hydroxy-ethyl)-methyl-amino]-phenyl}-vinyl)-5,5-dimethyl-cyclohex-2-enylidene]-malononitrile (A31), are investigated. The S(0) and S(1) geometries are optimized at the ab initio Hartree-Fock and the singles configuration interaction (CIS) levels of theory, respectively. The CIS and semiempirical Zerner's Intermediate Neglect of Differential Overlap (ZINDO) methods provide the results for the absorption (S(0)-->S(1)) and emission (S(1)-->S(0)) transition energies. The Stokes shifts calculated at the CIS and ZINDO levels of theory are obtained. The absorption spectra in various solvents are calculated using the time-dependent density-functional theory method in combination with the polarized continuum model, which are in very good agreement with our experimental measurements. The solvent effects are discussed.

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