title: Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging.
abstract: High-angle annular dark-field scanning transmission electron microscopy in conjunction with image simulation is an important tool to determine the structure of nanomaterials. We show that molecular dynamics calculations can be combined with multislice image simulations to account for the large effects of surface-enhanced thermal vibrations and structural relaxation on image intensities. Application to a catalytically important gold cluster shows that the image intensity is sensitive to these surface dominated effects with important implications for three-dimensional structural characterizations.
authors.affiliation: Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom.
authors.forename: Richard
authors.initials: R
authors.lastname: Aveyard
authors.affiliation: Dipartimento di Fisica, Università di Genova, via Dodecaneso 33, 16146 Genova, Italy.
authors.forename: Riccardo
authors.initials: R
authors.lastname: Ferrando
authors.affiliation: School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, United Kingdom.
authors.forename: Roy L
authors.initials: RL
authors.lastname: Johnston
authors.affiliation: Department of Physics, University of York, Heslington, York YO10 5DD, United Kingdom.
authors.forename: Jun
authors.initials: J
authors.lastname: Yuan