Browsing Fakultet for naturvitenskap (NV) by Author "Fan, Chen"
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Density Functional Theory-Assisted Microkinetic Analysis of Methane Dry Reforming on Ni Catalyst
Fan, Chen; Zhu, Yi-An; Yang, Ming-Lei; Sui, Zhi-Jun; Zhou, Xing-Gui; Chen, De (Journal article; Peer reviewed, 2015)A comprehensive microkinetic model based on density functional theory (DFT) calculations is constructed to explore the reaction mechanism for dry methane reforming on Ni catalyst. Three low-index facets, namely, Ni(111), ...