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Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations
Open accessAbstract
Photoelectron (PES) spectra from aluminum cluster anions, ${\mathrm{Al}}_{n}^{\ensuremath{-}}$ $(12<~n<~15),$ at various temperature regimes, were studied using ab initio molecular dynamics simulations and experimentally. The calculated PES spectra, obtained via shifting of the simulated electronic densities of states by the self-consistently determined values of the asymptotic exchange-correlation potential, agree well with the measured ones, allowing reliable structural assignments and theoretical estimation of the clusters' temperatures.
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Barnett, R. N., & Landman, U. (1993) · Physical Review B · doi:10.1103/physrevb.48.2081 · Cited by 629
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Cited by
All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry
Alexandrova, A. N., Boldyrev, A. I., Zhai, H.-J., & Wang, L.-S. (2006) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2006.03.032 · Cited by 712
Self-citationHäkkinen, H., Yoon, B., Landman, U., Li, X., Zhai, H.-J., & Wang, L.-S. (2003) · The Journal of Physical Chemistry A · doi:10.1021/jp035437i · Cited by 631
Self-citationZhai, H.-J., Wang, L.-S., Alexandrova, A. N., & Boldyrev, A. I. (2002) · The Journal of Chemical Physics · doi:10.1063/1.1511184 · Cited by 253
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Metadata
- Authors
- Akola, J., Manninen, M., Häkkinen, H., Landman, U., Li, X., & Wang, L.-S.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1999-10-15
- Volume
- 60
- Issue
- 16
- Pages
- R11297-R11300
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2048599061
- Cited by
- 337
- References
- 1
- FWCI
- 5.16
- Type
- journal article
- Language
- en
- Open access
- green
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- Akola, J., Manninen, M., Häkkinen, H., Landman, U., Li, X., & Wang, L.-S. (1999). Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations. Physical Review B. https://doi.org/10.1103/physrevb.60.r11297
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