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Todorova, Mira
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1

Comparative analysis of surface phase diagrams in aqueous e..:

Yang, Jing ; Todorova, Mira ; Neugebauer, Jörg
The Journal of Chemical Physics.  160 (2024)  16 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Quasi‐"In Situ" Analysis of the Reactive Liquid‐Solid Inter..:

Schwarz, Tim M. ; Yang, Jing ; Aota, Leonardo S....
Advanced Materials.  , 2024
Link: https://doi.org/10.1002/..
 
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3

Laterally Resolved Free Energy Profiles and Vibrational Spe..:

Surendralal, Sudarsan ; Todorova, Mira ; Neugebauer, Jörg
Journal of Chemical Theory and Computation.  20 (2024)  5 - p. 2192-2201 , 2024
Link: https://doi.org/10.1021/..
 
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4

High-resolution chemical and structural characterization of..:

Neuß, Deborah ; McCarroll, Ingrid E. ; Zhang, Siyuan...
Corrosion Science.  227 (2024)  - p. 111776 , 2024
Link: https://doi.org/10.1016/..
 
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5

Construction and analysis of surface phase diagrams to desc..:

Yang, Jing ; Kumar, K. B. Sravan ; Todorova, Mira.
Physical Review Materials.  7 (2023)  9 - p. , 2023
Link: https://doi.org/10.1103/..
 
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6

Microscopic Origin of Polarization Charges at GaN/(Al,Ga)N ..:

Yoo, Su-Hyun ; Todorova, Mira ; Neugebauer, Jörg.
Physical Review Applied.  19 (2023)  6 - p. , 2023
Link: https://doi.org/10.1103/..
 
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7

Origins of the hydrogen signal in atom probe tomography: ca..:

Yoo, Su-Hyun ; Kim, Se-Ho ; Woods, Eric...
New Journal of Physics.  24 (2022)  1 - p. 013008 , 2022
Link: https://doi.org/10.1088/..
 
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8

Controlled Doping of Electrocatalysts through Engineering I..:

Kim, Se‐Ho ; Yoo, Su‐Hyun ; Shin, Sangyong...
Advanced Materials.  34 (2022)  28 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

Understanding Alkali Contamination in Colloidal Nanomateria..:

Kim, Se-Ho ; Yoo, Su-Hyun ; Chakraborty, Poulami...
Journal of the American Chemical Society.  144 (2022)  2 - p. 987-994 , 2022
Link: https://doi.org/10.1021/..
 
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10

Defect phases – thermodynamics and impact on material prope..:

Korte-Kerzel, Sandra ; Hickel, Tilmann ; Huber, Liam...
International Materials Reviews.  67 (2021)  1 - p. 89-117 , 2021
Link: https://doi.org/10.1080/..
 
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11

Impact of Water Coadsorption on the Electrode Potential of ..:

Surendralal, Sudarsan ; Todorova, Mira ; Neugebauer, Jörg
Physical Review Letters.  126 (2021)  16 - p. , 2021
Link: https://doi.org/10.1103/..
 
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12

Finite-size correction for slab supercell calculations of m..:

Yoo, Su-Hyun ; Todorova, Mira ; Wickramaratne, Darshana...
npj Computational Materials.  7 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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13

Deciphering Charge Transfer and Electronic Polarization Eff..:

Yoo, Su-Hyun ; Siemer, Niklas ; Todorova, Mira..
The Journal of Physical Chemistry C.  123 (2019)  9 - p. 5495-5506 , 2019
Link: https://doi.org/10.1021/..
 
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14

pyiron: An integrated development environment for computati..:

Janssen, Jan ; Surendralal, Sudarsan ; Lysogorskiy, Yury...
Computational Materials Science.  163 (2019)  - p. 24-36 , 2019
Link: https://doi.org/10.1016/..
 
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15

Selective Solvent-Induced Stabilization of Polar Oxide Surf..:

Yoo, Su-Hyun ; Todorova, Mira ; Neugebauer, Jörg
Physical Review Letters.  120 (2018)  6 - p. , 2018
Link: https://doi.org/10.1103/..
 
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