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Beilstein J Nanotechnol. 2017 Oct 23;8:2208-2218. doi: 10.3762/bjnano.8.220. eCollection 2017.

Comprehensive investigation of the electronic excitation of W(CO).

Beilstein journal of nanotechnology

Mónica Mendes, Khrystyna Regeta, Filipe Ferreira da Silva, Nykola C Jones, Søren Vrønning Hoffmann, Gustavo García, Chantal Daniel, Paulo Limão-Vieira

Affiliations

  1. Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Universidade NOVA de Lisboa, 2829-516, Caparica, Portugal.
  2. ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000, Aarhus C, Denmark.
  3. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas (CSIC), Serrano 113-bis, 28006 Madrid, Spain.
  4. Laboratoire de Chimie Quantique, Institut de Chimie Strasbourg, UMR7177 CNRS/Université de Strasbourg 1 Rue Blaise Pascal BP296/R8, F-67008 Strasbourg, France.

PMID: 29114447 PMCID: PMC5669226 DOI: 10.3762/bjnano.8.220

Abstract

High-resolution vacuum ultraviolet photoabsorption measurements in the wavelength range of 115-320 nm (10.8-3.9 eV) have been performed together with comprehensive relativistic time-dependent density functional calculations (TDDFT) on the low-lying excited sates of tungsten hexacarbonyl, W(CO)

Keywords: cross sections; density functional theory (DFT) calculations; focused electron beam induced deposition (FEBID); photoabsorption; tungsten hexacarbonyl

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