quantum-chemical methods and calculations, carbon nanostucture, low dimensional systems
Subject:
Physics of Carbon nanostructures
Theory of low dimensional systems
Modeling of electronic structure of materials
Quantum-chemical and quantum-mechanical methods and calculations
N.A. Poklonski, S.V. Ratkevich, S.A. Vyrko, “Quantum-Chemical Calculation of Carbododecahedron Formation in Carbon Plasma”, doi: 10.1021/acs.jpca.5b03573, The Journal of Physical Chemistry, A (2015), 91339139
I.V. Lebedeva, A.M. Popov, A.A. Knizhnik, Yu.E. Lozovik, N.A. Poklonski, A.I. Siahlo, S.A. Vyrko, S.V. Ratkevich, “Tunneling conductance of telescopic contacts between graphene layers with and without dielectric spacer”, J. Computational Materials Science, 109 (2015), 240247
A.M. Popov, I.V. Lebedeva, A.A. Knizhnik, Yu.E. Lozovik, N.A. Poklonski, A.I. Siahlo, S.A. Vyrko, S.V. Ratkevich, “Force and magnetic field sensor based on measurement of tunneling conductance between ends of coaxial carbon nanotubes”, doi: 10.1016/j.commatsci.2014.05.020, J. Computational Materials Science, 92 (2014), 8491
N.A. Poklonski, S.V. Ratkevich, S.A. Vyrko, E.F. Kislyakov, O.N. Bubel, A.M. Popov, Y.E. Lozovik, N.N. Hieu and N. Ai Viet, “Structural phase transition and band gap of uniaxially deformed (6,0) carbon nanotube”, Chem. Phys. Lett., 545 (2012), 7177
A. I. Siahlo, S. A. Vyrko, S. V. Ratkevich, N. A. Poklonski, A. T. Vlasov, N. N. Hieu, Yu. E. Lozovik, “Quantum chemical calculations of carbon nanoscroll energy rolled from zigzag graphene nanoribbon”, Fizika i Tekhnika Poluprovodnikov, 54:12 (2020), 1389; Semiconductors, 54:12 (2020), 1678–1681