Experimental and theoretical techniques are used to investigate the impact of tin doping on the formation and the thermal stability of oxygenand carbon-related defects in electron-irradiated Czochralski silicon. The results verify previous reports that Sn doping reduces the formation of the VO defect and suppresses its conversion to the VO2 defect. Within experimental accuracy, a small delay in...

Substitutional heteroatom doping is a promising route to modulate the outstanding material properties of carbon nanotubes and graphene for customized applications. Recently, (nitrogen-) N-doping has been introduced to ensure tunable work-function, enhanced n-type carrier concentration, diminished surface energy, and manageable polarization. Along with the promising assessment of N-doping effect...

We report on an extensive spectroscopic investigation of the impact of substitutional doping on the optoelectronic properties of PbS colloidal quantum dot (CQD) solids. N-doping is provided by Bi incorporation during CQD synthesis as well as post-synthetically via cation exchange reactions. The spectroscopic data indicate a systematic quenching of the excitonic absorption and luminescence and t...

The effects of Li doping in MgH 2 on H-diffusion process are investigated, using first-principles calculations. We have identified two key effects: (1) The concentration of H vacancy in the þ1 charge state ðV þ1 H Þ can increase by several orders of magnitude upon Li doping, which significantly increases the vacancy mediated H diffusion rate. It is caused by the preferred charge states of subst...

Skutterudite materials have been considered as promising thermoelectric candidates due to intrinsically good electrical conductivity and tailorable thermal conductivity. Options for improving thermal-to-electrical conversion efficiency include identifying novel materials, adding filler atoms, and substitutional dopants. Incorporating filler or substitutional dopant atoms in the skutterudite com...

This article presents an overview of the reports on doping TiO2 with carbon, nitrogen, and sulfur, including single, co-, tri-doping. A comparison properties photocatalysts synthesized from various precursors C, N, or S dopants is summarized. Selected methods synthesis non-metal doped are also described. Furthermore, influence preparation conditions mode (interstitial substitutional) reference ...

The structural stabilities, geometry and electronic properties of C24 and some its heterofullerenederivatives are compared at the B3LYP/6-311-EFG**//B3LYP/6-31+G* level of theory. Vibrationalfrequency calculations show that all the systems are true minima. The calculated binding energies ofheterofullerenes show C24 as the, most stable fullerenes by 9.03eV/atom. While decreasing bindingenergy in...