C.H. Wong, E.A. Buntov, M.B. Guseva, R.E. Kasimova, V.N. Rychkov, A.F. Zatsepin, Superconductivity in ultra-thin carbon nanotubes and carbynenanotube composites: An ab-initio approach

Carbon 125 (2017) 509-515 Available online 20 September 2017 The superconductivity of the 4-Å single-walled carbon nanotubes (SWCNTs) was discovered more than a decade ago, and marked the breakthrough of finding superconductivity in pure elemental undoped carbon compounds. The van Hove singularities in the electronic density of states at the Fermi level in combination with a large Debye temperature of the SWCNTs are expected to cause an impressively large superconducting gap. We have developed an…

"C.H. Wong, E.A. Buntov, M.B. Guseva, R.E. Kasimova, V.N. Rychkov, A.F. Zatsepin, Superconductivity in ultra-thin carbon nanotubes and carbynenanotube composites: An ab-initio approach"

C.H.Wong, J. Y. Dai, E. A. Buntov, V. N. Rychkov, M. B. Guseva, A. F. Zatsepin, Effect of symmetry on electronic DOS, peierls transition and elastic modulus of carbon nanowires

Research Article 2017, 8(12), 1161-1165 Advanced Materials Letters A Monte Carlo arithmetic method is utilized to investigate the Peierls transition in the linear and circular carbon nanowire respectively. The carbon nanowires interacting with the 6 nearest neighbors in hexagonal structure are spaced by 0.3 nm. Despite the Peierls transition of the linear carbon nanowires is unaffected by the Van der Waal’s force, we discovered that the Peierls transition temperature of the isolated curved nanowire is…

"C.H.Wong, J. Y. Dai, E. A. Buntov, V. N. Rychkov, M. B. Guseva, A. F. Zatsepin, Effect of symmetry on electronic DOS, peierls transition and elastic modulus of carbon nanowires"

Buntov E.A. , Zatsepin A.F., Guseva M.B., Ponosov Yu. S. 2D-ordered kinked carbyne chains: DFT modeling and Raman characterization

Carbon 117 (2017) 271-278 Article history: Received 30 December 2016, Received in revised form 1 March 2017, Accepted 3 March 2017 ABSTRACT During the past years one-dimensional carbon allotropes containing sp1 bonds, both individual chains and carbyne-like crystals held by Van der Waals forces, were attracting much interest. One of the recent developments is the ion-assisted condensation of sp1 chains, ordered in a hexagonal structure with nearly 5 Å interchain distance e 2D-ordered linear-chained carbon…

"Buntov E.A. , Zatsepin A.F., Guseva M.B., Ponosov Yu. S. 2D-ordered kinked carbyne chains: DFT modeling and Raman characterization"

C.H. Wong, E.A. Buntov, V.N. Rychkov, M.B. Guseva, A.F. Zatsepin Simulation of chemical bond distributions and phase transformation in carbon chains

Volume 114, April 2017, Pages 106–110 ABSTRACT In the present work we develop a Monte Carlo algorithm of the carbon chains ordered into 2D hexagonal  array. The chemical bond of the chained carbon is computed from 1 K to 1300 K. Our model confirms that the beta phase is more energetic preferable at low temperatures but the system prefers to switch into alpha phase at high temperatures. Based on the thermal effect on the bond…

"C.H. Wong, E.A. Buntov, V.N. Rychkov, M.B. Guseva, A.F. Zatsepin Simulation of chemical bond distributions and phase transformation in carbon chains"