| Publication Date | Article Title | Author(s) |
| 10-Oct-2017 | Ab initio theory and modeling of water | Chen, Mohan; Ko, Hsin-Yu; Remsing, Richard C.; Calegari Andrade, Marcos F.; Santra, Biswajit; et al |
| 7-Jun-2016 | Ab Initio Study of Water Adsorption and Reactivity on the (211) Surface of Anatase | Xu, Jing; Xu, Li-Fang; Li, Zhen-Zhen; Wang, Jian-Tao; Lin, Zhe-Shuai; et al |
| 28-Jul-2015 | Adsorption of biomedical coating molecules, amino acids, and short peptides on magnetite (110) | Aschauer, Ulrich; Selloni, Annabella |
| 2015 | Combined Effects of Functional Groups, Lattice Defects, and Edges in the Infrared Spectra of Graphene Oxide | Zhang, Cui; Dabbs, Daniel M.; Liu, Li-Min; Aksay, Ilhan A.; Car, Roberto; et al |
| 14-May-2017 | Effect of reducible oxide–metal cluster charge transfer on the structure and reactivity of adsorbed Au and Pt atoms and clusters on anatase TiO2 | Wang, Honghong; An, Taicheng; Selloni, Annabella |
| 13-Feb-2012 | Electronic states and magnetic structure at the Co O (110) surface: A first-principles study | Chen, Jia; Selloni, Annabella |
| 10-Jan-2018 | Formation and stability of reduced Ti Ox layers on anatase Ti O2(101): Identification of a novel T i2 O3 phase | Xunhua, Zhao; Selcuk, Sencer; Selloni, Annabella |
| 28-Jan-2020 | Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics | Calegari Andrade, Marcos F; Ko, Hsin-Yu; Zhang, Linfeng; Car, Roberto; Selloni, Annabella |
| 14-Feb-2017 | Geometric structure of anatase | Treacy, Jon P.W.; Hussain, Hadeel; Torrelles, Xavier; Grinter, David C.; Cabailh, Gregory; et al |
| 2-Jan-2013 | Incorporation of Nonmetal Impurities at the Anatase Surface | Lee, Jun Hee; Hevia, Daniel Fernandez; Selloni, Annabella |
| 28-Aug-2014 | Influence of external electric fields on oxygen vacancies at the anatase (101) surface | Selçuk, Sencer; Selloni, Annabella |
| 21-Sep-2012 | Magnéli-like phases in epitaxial anatase TiO thin films | Ciancio, Regina; Carlino, Elvio; Rossi, Giorgio; Aruta, Carmela; Scotti di Uccio, Umberto; et al |
| 5-Feb-2013 | Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in water | Sit, Patrick H.- L.; Car, Roberto; Cohen, Morrel H.; Selloni, Annabella |
| 16-Jul-2018 | Self-hydrogenated shell promoting photocatalytic H2 evolution on anatase TiO2. | Lu, Yue; Yin, Wen-Jin; Peng, Kai-Lin; Wang, Kuan; Hu, Qi; et al |
| 30-Mar-2018 | Stable Hydrogen Evolution from an AgRhO2 Photocathode under Visible Light | Park, James Eujin; Hu, Yuan; Krizan, Jason W; Gibson, Quinn D; Tayvah, Uriel T; et al |
| 2-Jan-2019 | Structure and stability of NaTa O3(001) and KTa O3(001) surfaces | Zhao, Xunhua; Selloni, Annabella |
| May-2014 | TiO2 /ferroelectric heterostructures as dynamic polarization-promoted catalysts for photochemical and electrochemical oxidation of water | Lee, Jun Hee; Selloni, Annabella |
