QTNano - Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites, The Journal of Physical Chemistry C, 127, 13667 (2023)

Name: QTNano - Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites, The Journal of Physical Chemistry C, 127, 13667 (2023)
Creator: Universidade de Sao Paulo Instituto de Quimica de Sao Carlos
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Raw data of the published paper - https://doi.org/10.1021/acs.jpcc.3c01894 This dataset contains DFT calculations with van der Waals corrections (D3) to explore the role of monovalent cations (Li, Na, K, Rb, Cs) in passivating 2D perovskite ultrathin films (A2(MAn–1)PbnI3n+1, n = 1, 2).

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Universidade de Sao Paulo Instituto de Quimica de Sao Carlos