Dissociation mechanisms of HFO-1336mzz(Z) on Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces: A density functional theory study
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DOI: 10.1016/j.apsusc.2018.03.001
Abstract: Abstract The catalytic effect of Cu(1 1 1), Cu(1 1 0) and Cu(1 0 0) surfaces on the decomposition of HFO-1336mzz(Z) have been investigated by using Density Functional Theory (DFT) calculations. On the basis of adsorption energy analysis, the most stable adsorption energies of… read more here.
Keywords: hfo 1336mzz; density functional; 1336mzz surfaces; functional theory ... See more keywords