Sökning: "Emil Kauppi"

Hittade 1 uppsats innehållade orden Emil Kauppi.

  1. 1. Carbon Nanotube Raman Spectra Calculations using Density Functional Theory

    L3-uppsats, Luleå tekniska universitet/Institutionen för teknikvetenskap och matematik

    Författare :Johan Jirlén; Emil Kauppi; [2017]
    Nyckelord :Density Functional Theory; DFT; Single-Walled Carbon Nanotubes; SWCNTs; Raman; Spectra; VASP;

    Sammanfattning : Utilizing density functional theory (DFT) the Vienna Ab initio Simulation Package (VASP) was used to calculate the Raman spectra for five single-walled carbon nanotubes (SWCNTs) with chiralities (4,4), (6,6), (8,0), (12,0) and (7,1). The radial breathing mode (RBM), when compared with experimental frequencies, shows good correlation. LÄS MER