Publications | Konstantin Klyukin

At Auburn University

5."Charge-transfer hyperbolic polaritons in a-MoO3/graphene heterostructures."

J. Shen, M. Chen, V. Korostelev, H. Kim, P. Fathi-Hafshejani, M. Mahjouri-Samani, K. Klyukin*, G.-H. Lee, S. Dai, Applied Physics Reviews, in press (2024)

4."Unveiling the role of termination groups in stabilizing MXenes in contact with water."

V. Nesterova, V. Korostelev, K. Klyukin*, Journal of Physical Chemistry Letters, 15, 13, 3698–3704 (2024)

[chemrxiv] [datasets] Featured on the cover.

3."Ionic-Liquid-Gating-Induced Hydrogenation in Epitaxial Strontium Ferrite."

F. Yan, V. Korostelev, E. Cho, K. Yang, J. Wu, Q. Lu, F. Luo, C. A. Ross, K. Klyukin*, S. Ning, Advanced Functional Materials, 2316608 (2024)

2. "Simple local environment descriptors for accurate prediction of hydrogen absorption and migration in metal alloys."

V. Korostelev, J. Wagner, K. Klyukin*, Journal of Materials Chemistry A,11, 23576 (2023) [chemrxiv] [datasets]

1. "Composition‐Dependent Ferroelectricity of LuFeO3 Orthoferrite Thin Films."

E. Cho, K. Klyukin, T. Su, A. Kaczmarek, C.A. Ross, Advanced Electronic Materials, 2300059 (2023)

Before 2022

31. "Controlling the carrier density of surface conductive diamond."

M.W. Geis, M.A. Hollis, G.W. Turner, J. Daulton, J.O. Varghese, K. Klyukin, J. Wang, B. Yildiz, B. Zhang, Diamond and Related Materials, 122, 108775 (2022)

30. "Antisite Defects Stabilized by Antiphase Boundaries in YFeO3 Thin Films."

A. Kumar, K. Klyukin, S. Ning, C. Ozsoy-Keskinbora, M. Ovsyanko, F. van Uden, R. Krijnen, B. Yildiz, C. A. Ross and J. M. LeBeau, Advanced Functional Materials, 2107017 (2021)

29. "An antisite defect mechanism for room temperature ferroelectricity in orthoferrites."

S. Ning, A. Kumar, K. Klyukin, JH Kim, T. Su, HS Kim, JM. LeBeau, B. Yildiz and C. A. Ross,Nature Communications, 12, 4298 (2021)

28. "First-principles calculation of oxygen vacancy effects on the magnetic properties of the perovskite SrNiO3."

E. Cho, K. Klyukin, S. Ning, B. Yildiz, C.A. Ross, Physical Review Materials, 5(9), 094413 (2021)

27. "Voltage control of ferrimagnetic order and voltage-assisted writing of ferrimagnetic spin textures."

M. Huang, M.U. Hasan, K. Klyukin, D. Zhang, D. Lyu, P. Gargiani, M. Valvidares, S. Sheffels, A. Churikova, F. Büttner, J. Zehner, L. Caretta , KY. Lee, J. Chang, JP. Wang, K. Leistner , B. Yildiz, G. S. D. Beach, Nature Nanotechnology, 16 (9), 981-988 (2021).

26. “Straightforward strategy toward a shape-deformable carbon-free cathode for flexible Li-air batteries in ambient air.”

JW. Jung, JS. Nam, K. Klyukin, DY. Youn, ID. Kim, Nano Energy 83,105821 (2021).

25. “Layer-by-Layer Polyelectrolyte Assembly for the Protection of GaP Surfaces from Photocorrosion.”

N. Ryzhkov, O. Ledovich, L. Eggert, A. Bund, A. Paszuk, T. Hannappel, K. Klyukin, V. Alexandrov, E. Skorb

ACS Appl. Nano Mater. 4, 1, 425–431 (2021).

24. "Hydrogen tunes magnetic anisotropy by affecting local hybridization at the interface of a ferromagnet with nonmagnetic metals."

K. Klyukin, G. Beach, B. Yildiz, Physical Review Materials, 4, 104416 (2020).

23. "Protonic Solid-State Electrochemical Synapse for Physical Neural Networks."

X. Yao, K. Klyukin, W. Lu, M. Onen, S. Ryu, D. Kim, N. Emond, I. Waluyo, A. Hunt, J. A. del Alamo, Ju Li, B. Yildiz, Nature Communications, 11, 3134 (2020).

22. "Short-range structure of Ti0.63V0.27Fe0.10D1.73 from neutron total scattering and Reverse Monte Carlo modelling."

H. Mauroy, K.Klyukin, M.G. Shelyapina, D.A. Keen, A. Thøgersen, B.C. Hauback, M.H. Sørby, Energies 13(8), 1947, 1-14 (2020)

21. "Kinetics of pH-Dependent Interactions between PD-1 and PD-L1 Immune Checkpoint Proteins."

K. Klyukin, V. Alexandrov, Proteins: Structure, Function and Bioinformatics, 88(9),1162-1168 (2020).

20. "Role of Dissolution Intermediates in Promoting Oxygen Evolution Reaction at RuO2(110) Surface."

K. Klyukin, A. Zagalskaya, and V. Alexandrov, , The Journal of Physical Chemistry C, 123(36),22151-22157 (2019). Featured on the cover.

19. “Ab Initio Modeling of Transition Metal Dissolution from LiNi0.5Mn1.5O4 Cathode.”

N. Intan, K. Klyukin, and V. Alexandrov. ACS Appl. Mater. Interfaces 11, 20110-20116 (2019)

18. “Mechanistic Theoretical Investigation of Self-Discharge Reactions in a Vanadium Redox Flow Battery”

Z. Jiang, K. Klyukin, K. Miller and V. Alexandrov Journal of Physical Chemistry B 123, 3976–3983 (2019)

17. “Ab Initio Thermodynamics of Iridium Surface Oxidation and Oxygen Evolution Reaction”

K. Klyukin, A. Zagalskaya, and V. Alexandrov. The Journal of Physical Chemistry C,122 (51), 29350-29358 (2018).

16. "Iron Dissolution from Goethite (α-FeOOH) Surfaces in Water by Ab Initio Enhanced Free-Energy Simulations."

K. Klyukin, K. M. Rosso, and V. Alexandrov. The Journal of Physical Chemistry C, 122(28):16086–16091 (2018).

15. "Ab Initio Metadynamics Study of VO2+/VO2+ Redox Reaction Mechanism at the Graphite Edge/Water Interface."

Z. Jiang, K. Klyukin, and V. Alexandrov. ACS Appl. Mater. Interfaces, 10(24):20621–20626 (2018).

14. "First-principles modelling of hydrogen site solubility and diffusion in disordered Ti-V-Cr alloys."

O.O. Bavrina, M. G. Shelyapina, K. Klyukin, D. Fruchart. International Journal of Hydrogen Energy, 43(36):17338-17345 (2018).

13. "Defect-Assisted Tunneling Electroresistance in Ferroelectric Tunnel Junctions."

K. Klyukin, LL Tao, E. Y. Tsymbal, and V. Alexandrov. Physical Review Letters, 121(5):056601, (2018) Featured on the cover.

12. "Theoretical Insights into Oxidation States of Transition Metals at (001) and (111) LiNi0.5Mn1.5O4 Spinel Surfaces."

N. N. Intan,K. Klyukin, and V. Alexandrov. Journal of The Electrochemical Society, 165(5):A1099–A1103 (2018).

11. "Poly-amide modified copper foam electrodes for enhanced electrochemical reduction of carbon dioxide"

S. Ahn, K. Klyukin, R. J. Wakeham, J. Rudd, A. R. Lewis, S. Alexander, F. Carla, V. Alexandrov, and E. Andreoli. ACS Catalysis, 8:4132–4142 (2018).

10. “Tunneling Hot Spots in Ferroelectric SrTiO3.”

H. Lu, D. Lee, K. Klyukin, LL. Tao, B. Wang, H. Lee, T.R. Paudel, L.-Q. Chen, E.Y. Tsymbal, V. Alexandrov, C.-B. Eom and A. Gruverman, Nano Letters, 18(1):491–497 (2018).

9. “A Combined Theoretical-Experimental Study of Interactions between Vanadium Ions and Nafion Membrane in All-Vanadium Redox Flow Batteries."

N. Intan, K. Klyukin, T. Zimudzi, M. Hickner and V. Alexandrov, Journal of Power Sources 373, 150-160 (2018).

8. “CO2 Adsorption and Reactivity on Rutile TiO2(110) in Water: An Ab Initio Molecular Dynamics Study.”

K. Klyukin and V. Alexandrov, Journal of Physical Chemistry C 121, 10476–10483 (2017).

7. “First-Principles Study of Adsorption-Desorption Kinetics of Aqueous V2+/V3+ Redox Species on Graphite in Vanadium Redox Flow Battery."

Z. Jiang, K. Klyukin and V. Alexandrov, Physical Chemistry Chemical Physics (Communication) 19, 14897-14901 (2017).

6. “Effect of Intrinsic Point Defects on Ferroelectric Polarization Behavior of SrTiO3."

K. Klyukin and V. Alexandrov, Physical Review B 95, 035301-035308 (2017).

5. “Structure, Hydrolysis and Diffusion of Aqueous Vanadium Ions from Car-Parrinello Molecular Dynamics.”

Z. Jiang, K. Klyukin and V. Alexandrov, Journal of Chemical Physics 145, 114303-114311 (2016).

4. “Hydrogen Diffusion in Metal-Hydrogen Systems via NMR and DFT.”

M. G. Shelyapina, A. V. Vyvodtceva, K. Klyukin, O. O. Bavrina, Y. S. Chernyshev, A. F. Privalov and D. Fruchart, International Journal of Hydrogen Energy 40, 17038-17050 (2015).

3. “DFT Calculations of Hydrogen Diffusion and Phase Transformations in Magnesium.”

K. Klyukin, M. G. Shelyapina, D. Fruchart, Journal of Alloys and Compounds 644, 371-377 (2015).

2. “Hydrogen Induced Phase Transition in Magnesium: An Ab Initio Study."

K. Klyukin, M. G. Shelyapina, D. Fruchart, Journal of Alloys and Compounds 580, S10-S12 (2013).

1. “Modeling of Mg/Ti and Mg/Nb Thin Films for Hydrogen Storage."

K. Klyukin, M. G. Shelyapina, D. Fruchart, Solid State Phenomena 110, 298-301 (2011).

At Auburn University

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Before 2022​

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Before 2022