Computational studies of boron‐and nitrogen‐doped single‐walled carbon nanotubes as potential sensor materials of hydrogen halide molecules HX (X= F, C l, B r)
Potential applicability of undoped, B‐, and N‐doped carbon nanotubes (CNTs) for
elaboration of the working materials of gas sensors of hydrogen halide molecules HX (X= F …
elaboration of the working materials of gas sensors of hydrogen halide molecules HX (X= F …
Computational Studies of Adsorption of Toxic Molecules and Anions on the Surface of Doped and Functionalized Carbon Nanotubes
V Borysiuk, SG Nedilko, Y Hizhnyi… - … , and Their Applications …, 2019 - Springer
Carbon nanotubes are perspective adsorbents for removal of toxic pollutants from
surrounding media. The electronic structure-related computational modeling of adsorption …
surrounding media. The electronic structure-related computational modeling of adsorption …
Structural, electronic and magnetic properties of chiral nanotubes filled with a linear chain of iron
VG Boutko, AA Gusev, TN Shevtsova… - Low Temperature …, 2014 - pubs.aip.org
Density-functional calculations of the electronic structure of (n, n/2) chiral carbon nanotubes
filled with a linear chain of Fe atoms were conducted for the first time. It was found that upon …
filled with a linear chain of Fe atoms were conducted for the first time. It was found that upon …
Electronic properties of gold nanotubes (5, 3) and (5, 0) in the Hubbard model in the static fluctuation approximation
GI Mironov, ER Sozykina - Low Temperature Physics, 2019 - pubs.aip.org
A theoretical analysis of the electronic properties of single-walled gold nanotubes with
chiralities (5, 3) and (5, 0) with the growth of nanotubes is presented. The results of the study …
chiralities (5, 3) and (5, 0) with the growth of nanotubes is presented. The results of the study …