Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Orientational dependence of the interphase energy of low-temperature modification of titanium at the boundary with an organic liquid

A.M. Apekov1, I.G. Shebzukhova2

1 North-Caucasus Center for Mathematical Research, North- Caucasus Federal University
2 Institute of Physics and Mathematics, Kabardino-Balkarian State University named after H.M. Berbekov

DOI: 10.26456/pcascnn/2022.14.017

Original article

Abstract: Calculations of the interphase energy of low-temperature modification of titanium at the boundary with nonpolar organic liquids are carried out within the framework of the electron-statistical method, corrections to the interphase energy for the dispersion interaction of Wigner-Seitz cells and the electron density oscillation in the transition layer, the polarization of surface metal ions and organic liquid in the field of a semi-infinite metal are obtained. When calculating the interphase energy, changes in all components of the metal bond energy in the transition layer are considered – the eigenenergies of the electron gas, the energies of the interaction of the electron gas with ions. The effect of an organic liquid on the orientational dependence of the interphase energy of alpha-titanium and the corrections to the interphase energy taking into account the permittivity of the organic liquid is established. It is shown that the dispersion and oscillation corrections increase the interphase energy, and the polarization correction reduces the interphase energy. A sharp anisotropy of the interphase energy and corrections is obtained for this titanium structure.

Keywords: interfacial energy, polarization correction, dispersion correction, electron-statistical method, non-polar organic liquid, titanium

  • Aslan M. Apekov – Ph.D., Deputy Director, North-Caucasus Center for Mathematical Research, North- Caucasus Federal University
  • Irina G. Shebzukhova – Dr. Sc., Docent, Professor, Theoretical and Experimental Physics Department, Institute of Physics and Mathematics, Kabardino-Balkarian State University named after H.M. Berbekov

Reference:

Apekov, A.M. Orientational dependence of the interphase energy of low-temperature modification of titanium at the boundary with an organic liquid / A.M. Apekov, I.G. Shebzukhova // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2022. — I. 14. — P. 17-23. DOI: 10.26456/pcascnn/2022.14.017. (In Russian).

Full article (in Russian): download PDF file

References:

1. Gomathi Devi, L., Kavitha R. A review on plasmonic metal TiO2 composite for generation, trapping, storing and dynamic vectorial transfer of photogenerated electrons across the Schottky junction in a photocatalytic system, Applied Surface Science, 2016, vol. 360, Part B, pp. 601-622. DOI: 10.1016/j.apsusc.2015.11.016.
2. Zhao J., Huang Y., He Y., Shi Y. Nanolubricant additives: A review, Friction, 2021, vol. 9, issue 5, pp. 891- 917. DOI: 10.1007/s40544-020-0450-8.
3. Ahmad M.K., Mokhtar S.M., Soon C.F. et al. Raman investigation of rutile-phased TiO2 nanorods/nanoflowers with various reaction times using one step hydrothermal method, Journal of Materials Science: Materials in Electronics, 2016, vol. 27, issue 8, pp. 7920-7926. DOI: 10.1007/s10854-016-4783-z.
4. Hamed N.K.A., Ahmad M.K., Hairom N.H.H. et al. Dependence of photocatalysis on electron trapping in Ag-doped flowerlike rutile-phase TiO2 film by facile hydrothermal method, Applied Surface Science, 2020, vol. 534, art. no. 147571, 13 p. DOI: 10.1016/j.apsusc.2020.147571.
5. Yusoff M.M., Mamat M.H., Abdullah M.A.R. et al. Coupling heterostructure of thickness-controlled nickel oxide nanosheets layer and titanium dioxide nanorod arrays via immersion route for self-powered solid-state ultraviolet photosensor applications, Measurement: Journal of the International Measurement Confederation, 2020, vol. 149, art. no. 106982, 11 p. DOI: 10.1016/j.measurement.2019.106982.
6. Wu H., Zhao J., Xia W. et al. A study of the tribological behaviour of TiO2 nano-additive water-based lubricants, Tribology International, 2017, vol. 109, pp. 398-408. DOI: 10.1016/j.triboint.2017.01.013.
7. Zhao Z., Fan X., Li W., He Y., Suna Q., Zhu M. Multi-layer interface lubrication of in-situ synthesized titanium dioxide/reduced graphene oxide nanocomposites, Applied Surface Science, 2022, vol. 604, art. no. 154571, 13 p. DOI: 10.1016/j.apsusc.2022.154571.
8. Liu Z., Kobayashi M., Paul B.C., Bao Z., Nishi Y. Contact engineering for organic semiconductor devices via Fermi level depinning at the metal-organic interface, Physical Review. B, 2010, vol. 82, issue 3, pp. 035311-1- 035311-6. DOI: 10.1103/PhysRevB.82.035311.
9. Stroppa A., Barone P., Jain P., Perez-Mato J.M., Picozzi S. Hybrid improper ferroelectricity in a multiferroic and magnetoelectric metal‐organic framework, Advanced Materials, 2013, vol. 25, issue 16, pp. 2284-2290. DOI: 10.1002/adma.201204738.
10. Ferey G. Hybrid porous solids: past, present, future, Chemical Society Reviews, 2008, vol. 37, issue 1, pp. 191-214. DOI: 10.1039/b618320b.
11. Sozaev V.A., Yaganov, D.V. The surface energy of a metal nanoparticle in the presence of a vacuum gap between this particle and a dielectric medium, Technical Physics Letters, 2003, vol. 29, issue 7, pp. 563-565. DOI: 10.1134/1.1598550.
12. Apekov A.M., Shebzukhova I.G. Polarization correction to the interfacial energy of faces of alkali metal crystals at the borders with a nonpolar organic liquid, Bulletin of Russian Academy of Science. Physics, 2018, vol. 82, issue 7, pp. 789-792. DOI: 10.3103/S1062873818070067.
13. Apekov A.M., Shebzukhova I.G. Polyarizatsionnaya i dispersionnaya popravki k mezhfaznoy energii graney kristallov nizkotemperaturnykh modifikatsiy kal'tsiya i bariya na granitse s nepolyarnymi organicheskimi zhidkostyami [Polarization and dispersion corrections to the interfacial energy of the facets at the boundary between calcium/barium crystals and nonpolar organic liquids], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2018, issue 10, pp. 20-26. DOI: 10.26456/pcascnn/2018.10.020. (In Russian).
14. Shebzukhova I.G., Apekov A.M. Vklad dispersionnogo vzaimodeystviya s-sfer v mezhfaznuyu energiyu graney kristallov litiya i natriya na granitse s nepolyarnymi organicheskimi zhidkostyami [Contribution of dispersion interaction of s-spheres into the interfacial energy of α-Li and α-Na crystals bounding non-polar organic liquid boundary], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2017, issue 9, pp. 518-521. DOI: 10.26456/pcascnn/2017.9.518. (In Russian).
15. Shebzukhova I.G., Apekov A.M., Khokonov Kh. B. Orientation dependence of the interfacial energies of chromium and α-iron crystals at boundaries with nonpolar organic liquids, Bulletin of Russian Academy of Science. Physics, 2017, vol. 81, issue 5, pp. 605-607. DOI: 10.3103/S1062873817050173.
16. Apekov A.M., Shebzukhova I.G. Temperaturnyy vklad v mezhfaznuyu energiyu graney kristallov Sc, a-Ti i a-Co na granitse s organicheskimi zhidkostyami [Temperature contribution to the interfacial energy of the crystal faces of Sc, α – Ti and α – Co at the boundary with the organic liquids], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2016, issue 8, pp. 19-25. (In Russian).

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