Interaction of silver with systems based on mordenites and mordenites combined with ionic liquids. An ONIOM-DFT study

Abstract

Maintaining the actual reduction in greenhouse gas emissions must not achieve the “1.5°C targets” of the Goals of UN to 2030 [1]. Tackling this issue requires the development of materials for the energy field at an unprecedented pace [2,3]. In particular, in 2022, we developed the UNESP 4432 project, which outlined the best experimental route for the synthesis of materials based on the combination of zeolites (e.g., mordenites: H-MOR, Na-MOR, etc.) with ionic liquids ([M]Cl], see Scheme 1), where [M]Cl were: chloride 1-(2-hydroxyethyl)-3-methyl-1H-imidazol-3-ium [2-HEMIm]Cl, chloride 1-(2-Amino-ethyl)-3-methyl-3H-imidazol-1-ium [2-AEMIm]Cl, chloride 1-(3-amino-propyl)-3-methyl-1H-imidazol-3-ium [3-APMIm]Cl, chloride R-1-(2-Amino-propyl)-3-methyl-3H-imidazol-1-ium [R-2-APMIm]Cl, and chloride S-1-(2-Amino-propyl)-3-methyl-3H-imidazol-1-ium [S-2-APMIm]Cl .Notwithstanding, Professor Zadorosny's group is concerned with improving YBCO-based superconducting ceramics. In this direction, incorporating silver in YBCO ceramics has attracted much interest recently. Therefore, in 2023 through the UNESP project # 5089 (CAPES # 88887.892023/2023-00) reported here, we explored some potential ways of incorporating silver in YBCO ceramic samples theoretically and experimentally. These strategies range from using [M]-MOR-type materials loaded with silver to strategies from Solution Blow Spinning (SBS).