Научная биография: |
My research interests include magnetic phenomena, electrochemistry, solid state physics. I enjoy developing new theoretical methods in computational chemistry and solid state physics and implementing them in first-principles programming codes. Some of my projects include NMR calculation in periodic systems, electrochemical oxidation of ammonia on Pt surface, defects in wide bandgap semiconductors, single-molecule magnetic complexes on metal and semiconductor surfaces. |
Основные публикации: |
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D. Skachkov, W. Lambrecht, K. Dabsamut, A. Boonchun, “Computational Study of Electron Paramagnetic Resonance Spectra for Li and Ga Vacancies in LiGaO2”, Journal of Physics D: Applied Physics, 2020
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D. Skachkov, Y. Wang, X.-G. Zhang, H.-P. Cheng, “First-Principles Theory for Schottky Barrier Physics”, ArXiv, 2020
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D. Skachkov, W. Lambrecht, H.J. von Bardeleben, U. Gerstmann, Q.D. Ho, P. Déak, “Computational identification of Ga-vacancy related electron paramagnetic resonance centers in β-Ga2O3”, Journal of Applied Physics, 125:18 (2019), 185701
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Dmitry Skachkov, Chitturi Venkateswara Rao, Yasuyuki Ishikawa, “Combined first-principles molecular dynamics/density functional theory study of ammonia electrooxidation on Pt (100) electrode”, Journal of Applied Physics, 117:48 (2013), 25451
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D. Skachkov, M. Krykunov, T. Ziegler, “An Improved Scheme for the Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory”, Canadian Journal of Chemistry, 89:9 (2011), 1150
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