Diversity of monomeric dioxo chromium species in Cr/silicalite-2 catalysts: A hybrid density functional study

标题
Diversity of monomeric dioxo chromium species in Cr/silicalite-2 catalysts: A hybrid density functional study
作者
关键词
Chromium, Silicalite-2, ZSM-11 zeolite, DFT, Gibbs free energy, Cluster modeling
出版物
COMPUTATIONAL MATERIALS SCIENCE
Volume 118, Issue -, Pages 147-154
出版商
Elsevier BV
发表日期
2016-03-26
DOI
10.1016/j.commatsci.2016.03.009

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