The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, and heterogeneous catalysis. Recent Scanning Tunneling Microscopy studies have demonstrated the electron-induced long-range surface-migration of ethylene, benzene, and related molecules, moving tens of Angstroms across Si(100). We present a model of the previously unexplained long-range recoil of chemisorbed ethylene across the surface of silicon. The molecular dynamics reveal two key elements for directed long-range migration: first ‘ballistic’ motion that causes the molecule to leave the <i>ab initio</i> slab of the surface traveling 3–8 Å above it out of range of its roughness, and thereafter skipping-stone ‘bounces’ that transport it furt...
106 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2007.In the second part of the wor...
Collision-induced migration (CIM) is a process in which energetic gas-phase atoms or molecules at th...
In the same way that gases react with surfaces from above, solid-state point defects such as interst...
The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, ...
The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, ...
Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study two types...
Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study two types...
The dynamics of electron-induced surface-reactions was studied a-molecule-at-a-time by scanning tunn...
We report the first simulation of a surface chemical reaction performed with the ab initio molecular...
Non-traditional dissociation dynamics at surfaces, with charge transfer and diabatic motion, is stud...
Non-traditional dissociation dynamics at surfaces, with charge transfer and diabatic motion, is stud...
The tip of a scanning tunnelling microscope is an atomic-scale source of electrons and holes. As the...
This thesis reports three studies of chemical reactions at the Cu(110) surface at 4.6 K, examined a ...
The chemistry of organic adsorbates on surfaces is often discussed in terms of Pauli repulsion as li...
Charge-transfer is of key importance in many physical, chemical and biological processes, including ...
106 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2007.In the second part of the wor...
Collision-induced migration (CIM) is a process in which energetic gas-phase atoms or molecules at th...
In the same way that gases react with surfaces from above, solid-state point defects such as interst...
The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, ...
The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, ...
Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study two types...
Scanning tunneling microscopy (STM) and density functional theory (DFT) were used to study two types...
The dynamics of electron-induced surface-reactions was studied a-molecule-at-a-time by scanning tunn...
We report the first simulation of a surface chemical reaction performed with the ab initio molecular...
Non-traditional dissociation dynamics at surfaces, with charge transfer and diabatic motion, is stud...
Non-traditional dissociation dynamics at surfaces, with charge transfer and diabatic motion, is stud...
The tip of a scanning tunnelling microscope is an atomic-scale source of electrons and holes. As the...
This thesis reports three studies of chemical reactions at the Cu(110) surface at 4.6 K, examined a ...
The chemistry of organic adsorbates on surfaces is often discussed in terms of Pauli repulsion as li...
Charge-transfer is of key importance in many physical, chemical and biological processes, including ...
106 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2007.In the second part of the wor...
Collision-induced migration (CIM) is a process in which energetic gas-phase atoms or molecules at th...
In the same way that gases react with surfaces from above, solid-state point defects such as interst...