Yazar "Aikens, Christine M." için listeleme
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TD-DFTB study of optical properties of silver nanoparticle homodimers and heterodimers
Liu, Zhen; Alkan, Fahri; Aikens, Christine M. (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 ... -
An Ultrastable 155-Nuclei Silver Nanocluster Protected by Thiacalix[4]arene and Cyclohexanethiol for Photothermal Conversion
Wang, Zhi; Alkan, Fahri; Aikens, Christine M.; Kurmoo, Mohamedally; Zhang, Zhen-Yi; Song, Ke-Peng; Tung, Chen-Ho; Sun, Di (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 ... -
Understanding plasmon coupling in nanoparticle dimers using molecular orbitals and configuration interaction
Alkan, Fahri; Aikens, Christine M. (ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, 2019)We perform a theoretical investigation of the electronic structure and optical properties of atomic nanowire and nanorod dimers using DFT and TDDFT. In both systems at separation distances larger than 0.75 nm, optical ... -
Understanding the Effect of Symmetry Breaking on Plasmon Coupling from TDDFT
Alkan, Fahri; Aikens, Christine M. (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 ...
