Surface oxidation energetics and kinetics on MoS2 monolayer
نویسندگان
چکیده
منابع مشابه
Cu4 Cluster Doped Monolayer MoS2 for CO Oxidation
The catalytic oxidation of CO molecule on a thermodynamically stable Cu4 cluster doped MoS2 monolayer is investigated by density functional theory (DFT) where the reaction proceeds in a new formation order of COOOCO* (O2* + 2CO* → COOOCO*), OCO* (COOOCO* → CO2 + OCO*), and CO2 (OCO* → CO2) desorption with the corresponding reaction barrier values of 0.220 eV, 0.370 eV and 0.119 eV, respectively...
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Superlattice provides a new approach to enrich the class of materials with novel properties. Here, we report the structural and electronic properties of superlattices made with alternate stacking of two-dimensional hexagonal germanene (or silicene) and a MoS2 monolayer using the first principles approach. The results are compared with those of graphene/MoS2 superlattice. The distortions of the ...
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ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2015
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.4916536