29 citations · 112 across the 12 of their papers we have counts for
12 papers
PBr3 Adsorption and Dissociation on the Si(100) Surface
Vladimir M. Shevlyuga, Yulia A. Vorontsova, Tatiana V. Pavlova
The adsorption of PBr3 on the Si(100)-21 surface was studied by scanning tunneling microscopy (STM) and density functional theory (DFT). The PBr3 molecule completely dissoc…
Dangling bonds on the Cl- and Br-terminated Si(100) surfaces
T. V. Pavlova, V. M. Shevlyuga, B. V. Andryushechkin +1
Halogen monolayer on a silicon surface is attracting active attention for applications in electronic device fabrication with individual impurities. To create a halogen mask for the…
Reactivity of the Si(100)-21-Cl surface with respect to PH, PCl, and BCl: Comparison with PH on Si(100)-21-H
T. V. Pavlova, K. N. Eltsov
Despite the interest in a chlorine monolayer on Si(100) as an alternative to hydrogen resist for atomic-precision doping, little is known about its interaction with dopant-containi…
Ni-doped epitaxial graphene monolayer on the Ni(111) surface
S. L. Kovalenko, T. V. Pavlova, B. V. Andryushechkin +2
Nickel-doped graphene has been synthesized from propylene on a Ni(111) surface and studied using scanning tunneling microscopy (STM) and density functional theory (DFT). It is esta…
Chlorine insertion and manipulation on the Si(100)-2x1-Cl surface in the regime of local supersaturation
T. V. Pavlova, V. M. Shevlyuga, B. V. Andryushechkin +1
We insert and manipulate a single chlorine atom in chlorine monolayer on a Si(100)-2x1 surface using a scanning tunneling microscope. Two objects were created - a Cl atom in a groo…
Hydrogen inserted into the Si(100)-2x1-H surface: A first-principles study
T. V. Pavlova
An H atom inserted into hydrogen monolayer on the Si(100)-2x1 surface has been studied using the density functional theory. Hydrogen-induced defects were considered in their neutra…
Local removal of silicon layers on Si(100)-2x1 with chlorine-resist STM lithography
T. V. Pavlova, V. M. Shevlyuga, B. V. Andryushechkin +2
We report the realization of STM-based lithography with silicon layers removal on the chlorinated Si(100)-2x1 surface at 77 K. In contrast to other STM lithography studies, we were…
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…
Carbon chains and graphene nucleus synthesized on Ni(111) surface
T. V. Pavlova, S. L. Kovalenko, K. N. Eltsov
Linear chains of about 10-13 carbon atoms were predicted to be the most favorable phase on different metal surfaces prior to graphene nucleation. However, unlike the graphene that…
Ab Initio Study of the Early Stage of Si Epitaxy on the Chlorinated Si(100) Surface
T. V. Pavlova, E. S. Skorokhodov, G. M. Zhidomirov +1
The homoepitaxial growth of Si on Si(100) covered by a resist mask is a necessary technological step for the fabrication of donor-based quantum devices with scanning tunneling micr…