Molecule-decorated rutile-type ZnF2(110): A periodic DFT study
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DOI: 10.1016/j.susc.2017.03.002
Abstract: Abstract Weak binding of small molecules onto surfaces is a powerful tool whereby interfacial phenomena are studied in atomistic level. It is well-recognized that physisorption is a precursor to chemisorption and the subsequent heterogeneous catalysis.… read more here.
Keywords: vdw; dft; molecule decorated; vdw df2 ... See more keywords