DFT

2019
Lixin Sun and Bilge Yildiz. 2019. “Stabilizing single atoms and a lower oxidation state of Cu by a 1/2[110]100 edge dislocation in Cu-CeO2.” Physical Review Materials, 3, 2, Pp. 025801.
Jiayue Wang, Sean R. Bishop, Lixin Sun, Qiyang Lu, Gulin Vardar, Roland Bliem, Nikolai Tsvetkov, Ethan J. Crumlin, Jean-Jacques Gallet, Fabrice Bournel, and et al. 2019. “Threshold catalytic onset of carbon formation on CeO2 during CO2 electrolysis: mechanism and inhibition.” Journal of Materials Chemistry A, 7, 25, Pp. 15233–15243.
2018
Lixin Sun and Bilge Yildiz. 2018. “Solubility Limit of Cu and Factors Governing the Reactivity of Cu–CeO2 Assessed from First-Principles Defect Chemistry and Thermodynamics.” The Journal of Physical Chemistry C. Publisher's Version
Yen-Ting Chi, Mostafa Youssef, Lixin Sun, Krystyn J. Van Vliet, and Bilge Yildiz. 2018. “Accessible switching of electronic defect type in SrTiO3 via biaxial strain.” Physical Review Materials, 2, 5, Pp. 055801.
2016
Nikolai Tsvetkov, Qiyang Lu, Lixin Sun, Ethan J. Crumlin, and Bilge Yildiz. 2016. “Improved chemical and electrochemical stability of perovskite oxides with less reducible cations at the surface.” Nature Materials, 15, 9, Pp. 1010–1016.