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)
Published: 21 February 2025| Version 1 | DOI: 10.17632/k8chj83c77.1
Contributors:
Israel C Ribeiro, , , Description
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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Institutions
- Universidade de Sao Paulo Instituto de Quimica de Sao CarlosSão Paulo, Sao Carlos
Categories
Chemistry, Materials Science, Physical Chemistry
Funders
- National Council for Scientific and Technological DevelopmentFederal District, BrazilGrant ID: 140015/2021-3
- Fundação de Amparo à Pesquisa do Estado de São PauloSão Paulo, BrazilGrant ID: 2017/11937-4; 2022/12778-5; 2017/11631-2; 2018/21401-7