Listar por tema "DFT calculations"

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  • Studies of hydrogen adsorption on ni-modified mcm-41 mesoporous materials. 

    Carraro, Paola; García Blanco, Andrés; Soria, Federico; Lener, Germán; Sapag, Karim; Oliva, Marcos Iván; Eimer, Griselda Alejandra (2016)
    MCM-41 mesoporous materials were prepared modified with different Ni contents, as promising materials for hydrogen storage. The final materials were reduced for studying the metallic nickel effect. The Ni/MCM-41 samples ...