Studies of H2 storage efficiency of metal-doped carbon nanotubes by optical adsorption spectra analysis

Hydrogen storage efficiency of Fe doped carbon nanotubes: molecular simulation study

“…Moreover, it should be noted that, like our research, doping has been employed in other studies as well. 51,56,59 In one particular study, in order to achieve a notable doping effect, Os-or Fe-doped CNT models were obtained by replacing the C atoms in the CNT structure. 56 In the study of CO 59 and SO 2 (ref.…”

“…55 Os-doping and Fe-doping have been applied to enhance the effectiveness of (9,9) CNT for hydrogen adsorption. 56 Electron energy loss functions and the optical adsorption coefficients of the nanotubes have been computed by density functional theory (DFT) method and the result of metal doped CNTs have been compared with pristine CNT. It has been concluded that transition metal doping can increase the hydrogen adsorption ability of CNTs.…”

“…In this investigation, quantum mechanical calculations were utilized to compare the adsorption of two H 2 molecules on pure and metal-doped CNTs. 56 The efficacy of H 2 adsorption was examined by analyzing the interactions between light and the studied systems, accomplished by determining the complex dielectric functions. As stated, Fe doping of pristine CNTs enhanced the power efficiency of H 2 energy storage in single-walled CNTs.…”

The potentials of boron-doped (nitrogen deficient) and nitrogen-doped (boron deficient) BNNT photocatalysts for decontamination of pollutants from water bodies

“…In addition, both Bdoped and N-doped systems showed poor absorption in the perpendicular direction, indicating that the B-doped and Ndoped SWBNNT photocatalysts are anisotropic and this conforms to the observed characteristics of nanotube materials. 22 It has been reported that materials that absorb more light lose less energy. 23 To examine our systems, we performed an electron energy loss analysis (EELS) of the pristine, B-doped and N-doped SWBNNTs.…”

CO2 capture and storage by metal and non-metal decorated silicon carbide nanotubes: a DFT study

“…Nanotubes interact with photons in different spectral ranges within a broad or narrow band. Materials that store CO 2 adsorb in the visible region of the electromagnetic spectrum and store it under ambient conditions via a physisorption process accompanied by negligible electron energy loss [33]. The amount of CO 2 energy loss was considered in directions parallel and perpendicular to the axes of the nanotubes under study.…”