Ara
Toplam kayıt 11, listelenen: 1-10
TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers
(AMER INST PHYSICS, 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA, 2020)
The absorption spectra for face-centered cubic nanoparticle dimers at various interparticle distances are investigated using time-dependent density functional tight binding. Both homodimers and heterodimers are investigated ...
A hybridized local and charge transfer excited state for solution-processed non-doped green electroluminescence based on oligo(p-phenyleneethynylene)
(ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, 2020)
We herein report a new highly efficient green emissive hot-exciton molecule, 1,4-bis((4'-diphenylamino3-cyano-[1,1'-biphenyl]-4-yl)ethynyl)-2,5-bis(2-ethylhexyloxy)benzene (2EHO-TPA-CNPE) that consists of an extended ...
Revisiting the Role of Charge Transfer in the Emission Properties of Carborane-Fluorophore Systems: A TDDFT Investigation
(American Chemical Society, 2022)
In this study, we performed a detailed investigation of the S1 potential energy surface (PES) of o-carborane-anthracene (o-CB-Ant) with respect to the C-C bond length on o-CB and the dihedral angle between o-CB and Ant ...
An Ultrastable 155-Nuclei Silver Nanocluster Protected by Thiacalix[4]arene and Cyclohexanethiol for Photothermal Conversion
(WILEY-V C H VERLAG GMBH, 2022)
Thiacalix[4]arenes have emerged as a family of macrocyclic ligands to protect metal nanoparticles, but it remains a great challenge to solve the mystery of their structures at the atomic level, especially for those larger ...
Atomically precise gold nanoclusters at the molecular-to-metallic transition with intrinsic chirality from surface layers
(NATURE PORTFOLIO, 2023)
Chiral metal nanoclusters prepared from achiral ligands generally contain chiral kernel structures. Here, the authors report an alternative type of gold nanoclusters whose intrinsic chirality arises solely from the arrangement ...
Theoretical investigation of steric effects on the S1 potential energy surface of o-carborane-anthracene derivatives
(TUBİTAK (Scientific and Technological Research Council Turkey), 2023)
TDDFT scan calculations were performed for s-carborane-anthracene derivatives (o−CB−X−AntwhereX=−H,−CH3,−C2H5andtert−butylor−tBu) in order to understand the interplay between the steric effects, S1 potential energy surface ...
Dicarboxylic Acids Induced Tandem Transformation of Silver Nanocluster
(AMER CHEMICAL SOC, 2023)
Structural transformation of metal nanoclusters (NCs) is of great
ongoing interest regarding their synthesis, stability, and reactivity. Although sporadic
examples of cluster transformations have been reported, neither ...
Theoretical investigation of substituent effects on the relative stabilities and electronic structure of [BnXn](2-) clusters
(SPRINGERONE NEW YORK PLAZA, SUITE 4600 , NEW YORK, NY 10004, UNITED STATES, 2021)
In this study, we provide a theoretical evaluation of relative stabilities and electronic structure for [BnXn](2-) clusters (n = 10, 12, 13, 14, 15, 16). Structural and electronic characteristics of [BnXn](2-) clusters are ...
External complexation of BODIPYs by CB[7] improves in-cell fluorescence imaging
(ROYAL SOC CHEMISTRYTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, 2021)
Organic luminescent compounds with high emission properties play a crucial role in fluorescence labelling and optoelectronic devices. In this work, we prepared three water soluble BODIPY derivatives (B-4, B-5, and B-6) ...
Understanding the Effect of Symmetry Breaking on Plasmon Coupling from TDDFT
(AMER CHEMICAL SOC1155 16TH ST, NW, WASHINGTON, DC 20036, 2021)
We perform a time-dependent density functional theory (TDDFT) investigation for the optical properties of nanorod assemblies for different sizes (Ag-10, Ag-59, and Ag-139), interparticle distances, and orientations with a ...