29 citations · 112 across the 12 of their papers we have counts for
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Room temperature propylene dehydrogenation and linear atomic chain formation on Ni(111)
T. V. Pavlova, S. L. Kovalenko, K. N. Eltsov
The structures formed by propylene adsorption on Ni(111) at room temperature are determined by a combination of scanning tunneling microscopy and density functional theory. As a re…
First-Principle Study of Adsorption and Desorption of Chlorine on Cu(111) Surface. Does Chlorine or Copper Chloride Desorb?
Tatiana V. Pavlova, Boris V. Andryushechkin, Georgy M. Zhidomirov
First-principle density-functional calculations have been applied to study the interaction of molecular chlorine with the (111) plane of copper. Using transition-state search metho…
First-Principle Study of Phosphine Adsorption on Si(001)-21-Cl
Tatiana V. Pavlova, Georgy M. Zhidomirov, Konstantin N. Eltsov
This paper presents a DFT study for phosphine adsorption on a Si(001)-21 surface covered by a chlorine monolayer, including adsorption on local defects, i.e. mono- and biva…