5 Questions 19 Answers 0 Followers
Questions related from Martin Wortmann
I try to compute the orbital energies of transition metals with ORCA. However, the output files (produced by Avogadro) allways contain only the highest occupied orbital energies (HOMO-8 and...
11 November 2022 7,947 5 View
The Pd thin film sample had a native oxide layer. The spectrum was recorded with Al Kα irradiation. I cant identify the origin of the sub-peak at ~1150eV (green line). From my understanding it...
16 July 2022 2,264 3 View
The diagram shows Raman spectra (measured with a blue diode laser at 473 nm) of carbonized polyacrylonitrile (PAN) nanofibers. The fibers were in contact with different metal surfaces during...
26 April 2021 3,145 3 View
The ATR-FTIR spectrum shows hydrochar produced by hydrothermal carbonization of sucrose after subsequent pyrolysis at 1000°C in Nitrogen. The powder sample was pressed onto the diamond ATR...
21 February 2021 3,132 3 View
I compare the diffusion coefficients of different substances in polymers. While D in glassy polymers tend to correlate better with the kinetic diameter (size dominates), rubberlike polymers tend...
11 July 2019 436 3 View