Publications of Su-Hyun Yoo

Journal Article (8)

1.
Journal Article
Yoo, S.-H.; Kim, S.-H.; Woods, E.; Gault, B.; Todorova, M.; Neugebauer, J.: Origins of the hydrogen signal in atom probe tomography: case studies of alkali and noble metals. New Journal of Physics 24, 013008 (2022)
2.
Journal Article
Kim, S.-H.; Yoo, S.-H.; Chakraborty, P.; Jeong, J.; Lim, J.; El-Zoka, A.; Zhou, X.; Stephenson, L.; Hickel, T.; Neugebauer, J. et al.; Scheu, C.; Todorova, M.; Gault, B.: Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering. Journal of the American Chemical Society 144 (2), pp. 987 - 994 (2022)
3.
Journal Article
Yoo, S.-H.; Todorova, M.; Wickramaratne, D.; Weston, L.; Van de Walle, C. G.; Neugebauer, J.: Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 7 (1), 58 (2021)
4.
Journal Article
Yoo, S.-H.; Lymperakis, L.; Neugebauer, J.: Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations. Physical Review Materials 5 (4), 044605 (2021)
5.
Journal Article
Lee, Y.-J.; Han, M.; Yoo, S.-H.; Soon, A.: Tunable Threshold Voltage of ZnTe-Based Ovonic Switching Devices via Isovalent Cation Exchange. ACS Applied Electronic Materials 3 (3), pp. 1107 - 1114 (2021)
6.
Journal Article
Yoo, S.-H.; Siemer, N.; Todorova, M.; Marx, D.; Neugebauer, J.: Deciphering Charge Transfer and Electronic Polarization Effects at Gold Nanocatalysts on Reduced Titania Support. The Journal of Physical Chemistry C 123 (9), pp. 5495 - 5506 (2019)
7.
Journal Article
Yoo, S.-H.; Todorova, M.; Neugebauer, J.: Selective Solvent-Induced Stabilization of Polar Oxide Surfaces in an Electrochemical Environment. Physical Review Letters 120 (6), 066101 (2018)
8.
Journal Article
Kim, C.-E.; Yoo, S.-H.; Bahr, D. F.; Stampfl, C.; Soon, A.: Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling. Inorganic Chemistry 56 (11), pp. 6545 - 6550 (2017)

Talk (12)

9.
Talk
Yoo, S.-H.: Overcoming failing Size Convergence for Surface Calculations of Materials Exhibiting Spontaneous Polarization. International Conference Materials Science and Engineering: Materials Oceania 2021, virtual, Brisbane City, Australia (2021)
10.
Talk
Todorova, M.; Yoo, S.-H.; Vatti, A. K.; Neugebauer, J.: From Semiconductor defect chemistry to electrochemistry. ICACES/BENCh Virtual Summer School 2021, Göttingen, Germany (2021)
11.
Talk
Yoo, S.-H.: Electronic passivation schemes for surfaces with spontaneous polarization and for low symmetry semiconductor surfaces in DFT slab calculations. Materials Design Group Seminar, Department of Materials, Imperial College London, virtual, London, UK (2021)
12.
Talk
Neugebauer, J.; Yoo, S.-H.; Lymperakis, L.: Ab initio insights into fundamental intrinsic growth and materials limitations in group-III-nitrides. MRS 2021 Fall Meeting, Virtual Conference, Boston, MA, USA (2021)
13.
Talk
Yoo, S.-H.: Investigations of materials surfaces based on density functional theory calculations. Department of Chemistry seminar, virtual, Chuncheon, Republic of Korea (2020)
14.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Insights into the stability and reactivity of solid/liquid interfaces from ab initio calculations. 71st Annual Meeting of the International Society of Electrochemistry "Electrochemistry towards Excellence", virtual, Belgrade, Serbia (2020)
15.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Predicting atomic structure and chemical reactions at solid-liquid interfaces by first principles. Operando surface science – Atomistic insights into electrified solid/liquid interfaces (708. WE-Heraeus-Seminar), Physikzentrum, Bad Honnef, Germany (2019)
16.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Ab initio approach to electrochemisty and corrosion. Computational Materials Chemistry Workshop, Telluride, CO, USA (2019)
17.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: A fully ab initio approach to modelling electrochemical solid/liquid interfaces. Chemiekolloquium der Johannes Kepler Universität Linz, Linz, Austria (2019)
18.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: A fully ab initio approach to electrochemistry and corrosion. CNLS Colloquium, Los Alamos National Laboratory, Los Alamos, NM, USA (2019)
19.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Modelling electrochemical solid/liquid interfaces by first principles calculations. 19th International Workshop on Computational Physics and Material Science: Total Energy and Force Methods, ICTP, Trieste, Italy (2019)
20.
Talk
Todorova, M.; Yoo, S.-H.; Surendralal, S.; Neugebauer, J.: Ab intiio modelling of solid/liquid interfaces: Challenges and insights. DESY Seminar, Hamburg, Germany (2018)
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