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Origin of Discrete Optical Absorption Spectra of M25(SH)18− Nanoparticles (M = Au, Ag)
Abstract
Time-dependent density functional theory calculations at the SAOP/TZP level of theory are employed to study the optical absorption spectra of pure metal nanoparticles (Au 25 (SH) 18 − and Ag 25 (SH) 18 − ) and mixed metal “core-shell” systems (Au 13 Ag 12 (SH) 18 − and Ag 13 Au 12 (SH) 18 − ). All four systems exhibit discrete absorption spectra. The splitting between the LUMO and LUMO+1 and between the HOMO and HOMO−1 varies markedly with the metal used in the core and in the oligomeric thiolate ligands. The optical absorption spectra are not separable into core and ligand contributions; geometric and electronic interactions between the two fragments are responsible for complex absorption spectra.
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Cited by
The Story of a Monodisperse Gold Nanoparticle: Au25L18
Parker, J. F., Fields-Zinna, C. A., & Murray, R. W. (2010) · Accounts of Chemical Research · doi:10.1021/ar100048c · Cited by 503
Theoretical Studies of Plasmonics using Electronic Structure Methods
Morton, S. M., Silverstein, D. W., & Jensen, L. (2011) · Chemical Reviews · doi:10.1021/cr100265f · Cited by 474
Kauffman, D. R., Alfonso, D., Matranga, C., Qian, H., & Jin, R. (2012) · Journal of the American Chemical Society · doi:10.1021/ja303259q · Cited by 451
Theoretical Advances in Understanding and Designing the Active Sites for Hydrogen Evolution Reaction
Sun, F., Tang, Q., & Jiang, D.-E. (2022) · ACS Catalysis · doi:10.1021/acscatal.2c02081 · Cited by 285
Metadata
- Authors
- Aikens, C. M.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-11-21
- Volume
- 112
- Issue
- 50
- Pages
- 19797-19800
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2047822467
- Cited by
- 242
- References
- 0
- FWCI
- 8.76
- Type
- journal article
- Language
- en
- Open access
- closed
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