https://www.surfacesciencewestern.com/wp-content/uploads/2012/01/ass11_biesinger.pdf

Resolving surface chemical states in XPS analysis of first row transition metals, oxides and hydroxides: Sc, Ti, V, Cu and Zn

We report calculations of electron inelastic mean free paths (IMFPs) of 50–2000 eV electrons for a group of 14 organic compounds: 26-n-paraffin, adenine, β-carotene, bovine plasma albumin, deoxyribonucleic acid, diphenylhexatriene, guanine, kapton, polyacetylene, poly(butene-1-sulfone), polyethylene, polymethylmethacrylate, polystyrene and poly(2-vinylpyridine). The computed IMFPs for these compounds showed greater similarities in magnitude and in the dependences on electron energy than was found in our previous calculations for groups of elements and inorganic compounds (Papers II and III in this series). Comparison of the IMFPs for the organic compounds with values obtained from our predictive IMFP formula TPP-2 showed systematic differences of ∼40%. These differences are due to the extrapolation of TPP-2 from the regime of mainly high-density elements (from which it had been developed and tested) to the low-density materials such as the organic compounds. We analyzed the IMFP data for the groups of elements and organic compounds together and derived a modified empirical expression for one of the parameters in our predictive IMFP equation. The modified equation, denoted TPP-2M, is believed to be satisfactory for estimating IMFPs in elements, inorganic compounds and organic compounds.

Calculations of electron inelastic mean free paths. III. Data for 15 inorganic compounds over the 50–2000 eV range

The computer code system PENELOPE (version 2008) performs Monte Carlo simulation of coupled
electron-photon transport in arbitrary materials for a wide energy range, from a few hundred eV to
about 1 GeV. Photon transport is simulated by means of the standard, detailed simulation scheme.
Electron and positron histories are generated on the basis of a mixed procedure, which combines
detailed simulation of hard events with condensed simulation of soft interactions. A geometry package
called PENGEOM permits the generation of random electron-photon showers in material systems
consisting of homogeneous bodies limited by quadric surfaces, i.e., planes, spheres, cylinders, etc. This
report is intended not only to serve as a manual of the PENELOPE code system, but also to provide the
user with the necessary information to understand the details of the Monte Carlo algorithm.

/pdf/penelope-2006-a-code-system-for-monte-carlo-simulation-of-43nx3zmw6c.pdf

PENELOPE-2006: A Code System for Monte Carlo Simulation of Electron and Photon Transport

We report data from infrared absorption (FTIR) and X-ray photoelectron spectroscopies that correlate the molecular conformation of oligo(ethylene glycol) (OEG)-terminated self-assembled alkanethiolate monolayers (SAMs) with the ability of these films to resist protein adsorption. We studied three different SAMs of alkanethiolates on both evaporated Au and Ag surfaces. The SAMs were formed from substituted 1-undecanethiols with either a hydroxyl-terminated hexa(ethylene glycol) (EG6-OH) or a methoxy-terminated tri(ethylene glycol) (EG3-OMe) end group, or a substituted 1-tridecanethiol chain with a methoxy-terminated tri(ethylene glycol) end group and a −CH2OCH3 side chain at the C-12 atom (EG[3,1]-OMe). The infrared data of EG6-OH-terminated SAMs on both Au and Ag surfaces reveal the presence of a crystalline helical OEG phase, coexisting with amorphous OEG moieties; the EG[3,1]-OMe-terminated alkanethiolates on Au and Ag show a lower absolute coverage and greater disorder than the two other compounds. The...

Molecular Conformation in Oligo(ethylene glycol)-Terminated Self-Assembled Monolayers on Gold and Silver Surfaces Determines Their Ability To Resist Protein Adsorption

Graphene oxide and reduced graphene oxide studied by the XRD, TEM and electron spectroscopy methods

elsepa—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules

An analysis is given of the consistency of calculated and measured electron inelastic mean free paths (IMFPs) near solid surfaces for electron energies between 50 and 104 eV, the energy range of relevance for surface analysis by Auger electron spectroscopy and x-ray photoelectron spectroscopy. This evaluation is based on IMFPs calculated from experimental optical data and on IMFPs measured by elastic-peak electron spectroscopy (EPES). We describe the methods used for the calculations and measurements, and we identify the various sources of uncertainty. Most of our evaluation is based on IMFPs for seven elemental solids (Al, Si, Ni, Cu, Ge, Ag, and Au) for which there were at least two sources of IMFP calculations and at least two sources of IMFP measurements for each solid. Our comparison of the calculated IMFPs showed a high degree of consistency for Al, Ni, Cu, Ag, and Au. The comparison of measured IMFPs showed greater scatter than for the calculated IMFPs, but reasonable consistency was found for the ...

Evaluation of Calculated and Measured Electron Inelastic Mean Free Paths Near Solid Surfaces

The electron attenuation length revisited

We have analyzed differential cross sections (DCSs) for the elastic scattering of electrons by neutral atoms that have been derived from two commonly used atomic potentials: the Thomas–Fermi–Dirac (TFD) potential and the Dirac–Hartree–Fock (DHF) potential. DCSs from the latter potential are believed to be more accurate. We compared DCSs for six atoms (H, Al, Ni, Ag, Au, and Cm) at four energies (100, 500, 1000, and 10 000 eV) from two databases issued by the National Institute of Standards and Technology in which DCSs had been obtained from the TFD and DHF potentials. While the DCSs from the two potentials had similar shapes and magnitudes, there can be pronounced deviations (up to 70%) for small scattering angles for Al, Ag, Au, and Cm. In addition, there were differences of up to 400% at scattering angles for which there were deep minima in the DCSs; at other angles, the differences were typically less than 20%. The DCS differences decreased with increasing electron energy. DCSs calculated from the two ...

Comparison of Electron Elastic-Scattering Cross Sections Calculated from Two Commonly Used Atomic Potentials

________________________ The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the database. Certain trade names and other commercial designations are used in this work for the purpose of clarity. In no case does such identification imply endorsement by the National Institute of Standards and Technology nor does it imply that the products or services so identified are necessarily the best available for the purpose.

Aleksander Jablonski

Papers

elsepa—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules

Evaluation of Calculated and Measured Electron Inelastic Mean Free Paths Near Solid Surfaces

The electron attenuation length revisited

Comparison of Electron Elastic-Scattering Cross Sections Calculated from Two Commonly Used Atomic Potentials

The NIST Electron Effective-Attenuation-Length Database