Themed collection Virtual Collections—Simulation
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2 items
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Theoretical insights into NH3 absorption mechanisms with imidazolium-based protic ionic liquids
Wenhui Tu, Shaojuan Zeng, Yinge Bai, Xiaochun Zhang, Haifeng Dong and Xiangping Zhang
NH3 absorption in [BIm][Tf2N] is governed by hydrogen bonds between NH3 and the protic site on the cation and considerable effects of anions due to their interaction with the protic site.
From the themed collection:
Virtual Collections—Seperation
The article was first published on 06 ဇန် 2023
Ind. Chem. Mater., 2023,1, 262-270
https://doi.org/10.1039/D2IM00041E
Ind. Chem. Mater., 2023,1, 262-270
https://doi.org/10.1039/D2IM00041E
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.148/content/NewImages/open-access-icon-orange.png)
Co and Ni single sites on the (111)n surface of γ-Al2O3 – a periodic boundary DFT study
Jiande Gu, Jing Wang and Jerzy Leszczynski
Coordination of Co and Ni single-atom on the most active tri-coordinated Al/Metal single-site (111)n surface of γ-Al2O3 leads to stable electron configuration of d7 for Co and d8 for Ni on the surface of γ-Al2O3.
From the themed collection:
Virtual Collections—Simulation
The article was first published on 10 ဇန် 2023
Ind. Chem. Mater., 2023,1, 117-128
https://doi.org/10.1039/D2IM00039C
Ind. Chem. Mater., 2023,1, 117-128
https://doi.org/10.1039/D2IM00039C
2 items