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Nanoscale Horizons|October 26, 2020
The oxygen vacancy in Li-ion battery cathode materialsZhen-Kun Tang, Yu-Feng Xue, Gilberto Teobaldi, et al.The Journal of Physical Chemistry Letters|March 30, 2022
The Role of Thermal Fluctuations and Vibrational Entropy: A Theoretical Insight into the δ-to-α Transition of FAPbI<sub>3</sub>Junwen Yin, Gilberto Teobaldi, Li-Min LiuThe Journal of Physical Chemistry Letters|May 2, 2020
Water-Hydrogen-Polaron Coupling at Anatase TiO<sub>2</sub>(101) Surfaces: A Hybrid Density Functional Theory StudyYa-Nan Zhu, Gilberto Teobaldi, Li-Min LiuThe Journal of Physical Chemistry Letters|December 10, 2016
Unusual Li-Ion Transfer Mechanism in Liquid Electrolytes: A First-Principles StudyZhen-Kun Tang, John S Tse, Li-Min LiuThe Journal of Physical Chemistry Letters|January 19, 2022
Nonadiabatic Dynamics of Polaron Hopping and Coupling with Water on Reduced TiO<sub>2</sub>Zhong-Fei Xu, Chuan-Jia Tong, Ru-Tong Si, et al.Journal of the American Chemical Society|February 21, 2023
Tuning Octahedral Tilting by Doping to Prevent Detrimental Phase Transition and Extend Carrier Lifetime in Organometallic PerovskitesJunwen Yin, Zhongfei Xu, Qi Hu, et al.Journal of Chemical Theory and Computation|October 3, 2024
Minimum Tracking Linear Response Hubbard and Hund Corrected Density Functional Theory in CP2KZiwei Chai, Rutong Si, Mingyang Chen, et al.Journal of the American Chemical Society|June 12, 2003
Molecular dynamics of a dendrimer-dye guest-host systemGilberto Teobaldi, Francesco ZerbettoDalton Transactions (Cambridge, England : 2003)|September 29, 2020
Activity and selectivity of CO<sub>2</sub> photoreduction on catalytic materialsWen-Jin Yin, Bo Wen, Qingxia Ge, et al.ACS Applied Materials & Interfaces|November 3, 2021
Combined Role of Biaxial Strain and Nonstoichiometry for the Electronic, Magnetic, and Redox Properties of Lithiated Metal-Oxide Films: The LiMn<sub>2</sub>O<sub>4</sub> CaseIvan Scivetti, Gilberto TeobaldiPageof 32