{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Xie W"],"funding":["Fok Ying Tong Education Foundation","Scientific Research Project of Hubei Education Department","Huanggang Normal University","State Key Laboratory of Refractories and Metallurgy","Ministry of Education of the People&apos;s Republic of China","Basic Research Program of Shenzhen","Natural Science Fund for Distinguished Young Scholars of Hubei Province","State Administration of Foreign Experts Affairs","Huanggang Science and Technology Project"],"pagination":["14938-14951"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8209804"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["6(23)"],"pubmed_abstract":["It is an effective method to use SnF<sub>2</sub> and SnF<sub>4</sub> molecules to assist in enhancing the performance of FASnI<sub>3</sub> perovskite. However, the mechanism in this case is not clear as it lacks a certain explanation to specify the phenomenon. Through first-principles calculations, this paper constructed several modes of SnF<sub>2</sub> and SnF<sub>4</sub> adsorbed on the surfaces of FASnI<sub>3</sub> and explored adsorption energies, band structures, photoelectric properties, absorption spectra, and dielectric functions. The SnF<sub>2</sub> molecule adsorbed at the I5 position on the FAI-T surface has the lowest adsorption energy for the F atom, which is 0.5376 eV. The Sn-I bond and Sn-F bond mainly affect the photoelectric properties of FASnI<sub>3</sub> perovskite solar"],"journal":["ACS omega"],"pubmed_title":["An Insight into the Effects of SnF<sub>2</sub> Assisting the Performance of Lead-Free Perovskite of FASnI<sub>3</sub>: A First-Principles Calculations."],"pmcid":["PMC8209804"],"funding_grant_id":["B18038","161008","04201813603","JCYJ20190809120015163","G201605","XQYF2018000013","D20182901","2020CFA087"],"pubmed_authors":["Xie W","Peng L","Li N"],"additional_accession":[]},"is_claimable":false,"name":"An Insight into the Effects of SnF<sub>2</sub> Assisting the Performance of Lead-Free Perovskite of FASnI<sub>3</sub>: A First-Principles Calculations.","description":"It is an effective method to use SnF<sub>2</sub> and SnF<sub>4</sub> molecules to assist in enhancing the performance of FASnI<sub>3</sub> perovskite. However, the mechanism in this case is not clear as it lacks a certain explanation to specify the phenomenon. Through first-principles calculations, this paper constructed several modes of SnF<sub>2</sub> and SnF<sub>4</sub> adsorbed on the surfaces of FASnI<sub>3</sub> and explored adsorption energies, band structures, photoelectric properties, absorption spectra, and dielectric functions. The SnF<sub>2</sub> molecule adsorbed at the I5 position on the FAI-T surface has the lowest adsorption energy for the F atom, which is 0.5376 eV. The Sn-I bond and Sn-F bond mainly affect the photoelectric properties of FASnI<sub>3</sub> perovskite solar","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Jun","modification":"2025-04-04T07:24:13.626Z","creation":"2022-02-10T15:43:28.798Z"},"accession":"S-EPMC8209804","cross_references":{"pubmed":["34151075"],"doi":["10.1021/acsomega.1c00767"]}}