Tunable Oxygen Diffusion and Electronic Conduction in SrTiO3 by Dislocation‐Induced Space Charge Fields KK Adepalli, J Yang, J Maier, HL Tuller, B Yildiz
Advanced Functional Materials 27 (22), 1700243, 2017
84 2017 Tuning point defects by elastic strain modulates nanoparticle exsolution on perovskite oxides J Wang, J Yang, AK Opitz, W Bowman, R Bliem, G Dimitrakopoulos, ...
Chemistry of Materials 33 (13), 5021-5034, 2021
48 2021 Thermally-enhanced minority carrier collection in hematite during photoelectrochemical water and sulfite oxidation X Ye, J Yang, M Boloor, NA Melosh, WC Chueh
Journal of Materials Chemistry A 3 (20), 10801-10810, 2015
34 2015 Oxygen self-diffusion mechanisms in monoclinic J Yang, M Youssef, B Yildiz
Physical Review B 97 (2), 024114, 2018
30 2018 Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO 2/Cr 2 O 3 J Yang, M Youssef, B Yildiz
Physical Chemistry Chemical Physics 19 (5), 3869-3883, 2017
28 2017 Range-separated hybrid functionals for accurate prediction of band gaps of extended systems J Yang, S Falletta, A Pasquarello
npj Computational Materials 9 (1), 108, 2023
21 2023 Integrated computational modeling of water side corrosion in zirconium metal clad under nominal LWR operating conditions A Aryanfar, J Thomas, A Van der Ven, D Xu, M Youssef, J Yang, B Yildiz, ...
Jom 68, 2900-2911, 2016
21 2016 Fast surface oxygen release kinetics accelerate nanoparticle exsolution in perovskite oxides J Wang, D Kalaev, J Yang, I Waluyo, A Hunt, JT Sadowski, HL Tuller, ...
Journal of the American Chemical Society 145 (3), 1714-1727, 2023
18 2023 One-shot approach for enforcing piecewise linearity on hybrid functionals: application to band gap predictions J Yang, S Falletta, A Pasquarello
The Journal of Physical Chemistry Letters 13 (13), 3066-3071, 2022
17 2022 Interplay between H 2 O and CO 2 coadsorption and space-charge on Y-doped BaZrO 3 surfaces JM Polfus, J Yang, B Yildiz
Journal of Materials Chemistry A 6 (48), 24823-24830, 2018
10 2018 Strain-Dependent Surface Defect Equilibria of Mixed Ionic-Electronic Conducting Perovskites J Wang, J Yang, AK Opitz, D Kalaev, A Nenning, EJ Crumlin, JT Sadowski, ...
Chemistry of Materials 34 (11), 5138-5150, 2022
8 2022 Role of Adsorbate Coverage on the Oxygen Dissociation Rate on Sr-Doped LaMnO3 Surfaces in the Presence of H2 O and CO2 J Yang, JM Polfus, Z Li, HL Tuller, B Yildiz
Chemistry of Materials 32 (13), 5483-5492, 2020
7 2020 The role of doping and microstructure on hydrogen solubility in monoclinic ZrO2: Experimental validations of simulated defect chemistry WJ Bowman, J Yang, B Yildiz
Acta Materialia 195, 172-183, 2020
6 2020 Structure, Kinetics, and Thermodynamics of Water and Its Ions at the Interface with Monoclinic ZrO2 Resolved via Ab Initio Molecular Dynamics J Yang, M Youssef, B Yildiz
The Journal of Physical Chemistry C 125 (28), 15233-15242, 2021
5 2021 Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys J Yang, KBS Kumar, M Todorova, J Neugebauer
Physical Review Materials 7 (9), 095802, 2023
2 2023 Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide J Yang, M Youssef, B Yildiz
Physical Review Materials 2 (7), 075405, 2018
2 2018 High-resolution chemical and structural characterization of the native oxide scale on a Mg-based alloy D Neuß, IE McCarroll, S Zhang, E Woods, WJ Delis, L Tanure, H Springer, ...
Corrosion Science 227, 111776, 2024
1 2024 Charged species redistribution at electrochemical interfaces: a model system of the zirconium oxide/water interface J Yang, M Youssef, B Yildiz
Physical Chemistry Chemical Physics 25 (8), 6380-6391, 2023
1 2023 Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models J Yang, M Todorova, J Neugebauer
The Journal of Chemical Physics 160 (16), 2024
2024 Challenges and Opportunities in Modeling Oxides for Energy and Information Devices B Yildiz, C Franchini, J Yang
Handbook of Materials Modeling: Applications: Current and Emerging Materials …, 2020
2020 
Bilge YildizProfessor, Massachusetts Institute of TechnologyDirección de correo verificada de mit.edu
