1. 2019
  2. First principles evaluation on photocatalytic suitability of 2H structured and [0001] oriented WS2 nanosheets and nanotubes

    Zhukovskii, Y. F., Piskunov, S. & Evarestov, R. A., 25 Mar 2019, In: IOP Conference Series: Materials Science and Engineering. 503, 1, 7 p., 012002.

    Research output: Contribution to journalConference articlepeer-review

  3. Magnetic properties of solid solutions LaGaxFe1-xO3 and LaAlxFe1-xO3: first-principles study

    Sapova, M., Bandura, A., Evarestov, R., Korolev, D. & Chezhina, N., 12 Feb 2019, In: Integrated Ferroelectrics. 196, 1, p. 1-6 6 p.

    Research output: Contribution to journalArticlepeer-review

  4. First-Principles Evaluation of the Morphology of WS2 Nanotubes for Application as Visible-Light-Driven Water-Splitting Photocatalysts

    Piskunov, S., Lisovski, O., Zhukovskii, Y. F., D'Yachkov, P. N., Evarestov, R. A., Kenmoe, S. & Spohr, E., 16 Jan 2019, In: ACS Omega. 4, 1, p. 1434-1442 9 p.

    Research output: Contribution to journalArticlepeer-review

  5. The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server

    De La Flor, G., Orobengoa, D., Evarestov, R. A., Kitaev, Y. E., Tascie, E. & Aroyob, M. I., 1 Jan 2019, In: Journal of Applied Crystallography. 52, p. 1214-1221 8 p.

    Research output: Contribution to journalArticlepeer-review

  6. Ab Initio Calculations on the Electronic Structure and Photocatalytic Properties of Two-Dimensional WS 2 (0001) Nanolayers of Varying Thickness

    Bocharov, D., Piskunov, S., Zhukovskii, Y. F. & Evarestov, R. A., Jan 2019, In: Physica Status Solidi - Rapid Research Letters. 13, 1, 1800253.

    Research output: Contribution to journalLetterpeer-review

  7. 2018
  8. Ab initio (DFT) calculations of corundum (α-Al 2 O 3 ) Oxygen isotope fractionation

    Krylov, D. P. & Evarestov, R. A., 20 Dec 2018, In: European Journal of Mineralogy. 30, 6, p. 1063-1070 8 p.

    Research output: Contribution to journalArticlepeer-review

  9. Calculation of Young’s Modulus of MoS 2 -Based Single-Wall Nanotubes Using Force-Field and Hybrid Density Functional Theory

    Bandura, A. V., Lukyanov, S. I., Evarestov, R. A. & Kuruch, D. D., 1 Dec 2018, In: Physics of the Solid State. 60, 12, p. 2551-2558 8 p.

    Research output: Contribution to journalArticlepeer-review

  10. New Force Field for Simulating Multi-Walled Tubes Based on MoS 2

    Bandura, A. V., Lukyanov, S. I. & Evarestov, R. A., 1 Dec 2018, In: Russian Journal of General Chemistry. 88, 12, p. 2695-2697 3 p.

    Research output: Contribution to journalLetterpeer-review

  11. Comparison of vibrational and thermodynamic properties of MoS 2 and WS 2 nanotubes: First principles study

    Evarestov, R. A., Kovalenko, A. V., Bandura, A. V., Domnin, A. V. & Lukyanov, S. I., 1 Nov 2018, In: Materials Research Express. 5, 11, 115028.

    Research output: Contribution to journalArticlepeer-review

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