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Photoelectron spectra of aluminum cluster anions: Temperature effects andab initiosimulations

Year: 1999

Type: article

Abstract: 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.

Source: Physical review. B, Condensed matter

DOI: 10.1103/physrevb.60.r11297

Authors: Jaakko Akola, Matti Manninen, Hannu Häkkinen, Uzi Landman, Xi Li, Lai-Sheng Wang

Institutions: University of Jyväskylä, Georgia Institute of Technology, Pacific Northwest National Laboratory, Washington State University Tri-Cities, Environmental Molecular Sciences Laboratory, Washington State University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: National Science Foundation, U.S. Department of Energy, Alfred P. Sloan Foundation, Battelle, Jyväskylän Yliopisto, Pacific Northwest National Laboratory

OpenAlex ID: W2048599061

FWCI: 4.867

Cites: 18

Cited by: 339

Related to: 10