COMPUTER SIMULATION STUDY OF ADSORPTION PROCESSES OF C20@Cn AND C60@Cn (n=1-5) CARBON CLUSTERS ON RECONSTRUCTED SILICON Si(001) SURFACE
Urolov I.Z. Umarov F.F. Yadgarov I.D. Rakhmanov G.T. Jabborov K.I.
8 September 2025V N Karazin Kharkiv National University
East European Journal of Physics
2025#2025Issue 3273 - 280 pp.
In todays nanotechnology field, one of the requirements of the current direction is the ability of carbon nanostructures to have a strong bond with the substrate surface among the materials formed by the interaction of different substrates with the surface of various substrates. The study and identification of new structures with similar properties is one of the problems facing modern theoretical research. The current research work was carried out as one of the solutions to the above-mentioned problems, in which the adsorption of fullerene molecules on silicon substrates using the molecular dynamics (MD) method is a continuation of our work on the adsorption of fullerene C20 and C60 molecules on the surface of silicon Si(001) reconstructed by Cn (n=1-5) carbon clusters was simulated using the open source LAMMPS package based on the molecular dynamics method. Using the Tersoff interatomic potential, the interactions between the atoms of the substrate, Cn cluster, and fullerene molecules were expressed, and the adsorption energies of C20@Cn and C60@Cn carbon clusters, the length and nature of Si-C bonds, as well as stable adsorption states in trench and dimer rows were determined.
Adsorption , Base , Bond , Cluster , Dimer array , Fullerene molecule , Modeling , Potential , Simulation , Trench
Text of the article Перейти на текст статьи
U.A. Arifov Institute of Ion-Plasma and Laser Technologies, Academy of Sciences of the Republic of Uzbekistan, str. Durmon Yuli, 33, Tashkent, 100125, Uzbekistan
Mirzo Ulugbek National University of Uzbekistan, Universitetskaya str., 4, Tashkent, 100174, Uzbekistan
Kazakhstan-British Technical University, str. Tole bi 59, Almaty, Kazakhstan
Tashkent state technical university named after Islam Karimov, Tashkent, Uzbekistan
Tashkent University of information technologies named after Muhammad al-Khwarizmi, Tashkent, Uzbekistan
U.A. Arifov Institute of Ion-Plasma and Laser Technologies
Mirzo Ulugbek National University of Uzbekistan
Kazakhstan-British Technical University
Tashkent state technical university named after Islam Karimov
Tashkent University of information technologies named after Muhammad al-Khwarizmi
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026