Photolysis versus Photothermolysis of N2O on a Semiconductor Surface Revealed by Nonadiabatic Molecular Dynamics

C Cheng, OV Prezhdo, R Long… - Journal of the American …, 2022 - ACS Publications
Identifying photolysis and photothermolysis during a photochemical reaction has remained
challenging because of the highly non-equilibrium and ultrafast nature of the processes …

Precursor states of organic adsorbates on semiconductor surfaces are chemisorbed and immobile

L Pecher, R Tonner - ChemPhysChem, 2017 - Wiley Online Library
Intermediate states to covalent attachment of molecules on surfaces, so called precursors,
are usually considered to be physisorbed and mobile. We show that this view should be …

Controlling an SN2 Reaction by Electronic and Vibrational Excitation: Tip‐Induced Ether Cleavage on Si(001)

G Mette, A Adamkiewicz, M Reutzel… - Angewandte Chemie …, 2019 - Wiley Online Library
Controlling chemical reactions beyond thermally activated reaction schemes can open
alternative reaction channels, and thus lead to new final products. Herein, we show for …

Bond selectivity in electron-induced reaction due to directed recoil on an anisotropic substrate

K Anggara, K Huang, L Leung, A Chatterjee… - Nature …, 2016 - nature.com
Bond-selective reaction is central to heterogeneous catalysis. In heterogeneous catalysis,
selectivity is found to depend on the chemical nature and morphology of the substrate. Here …

Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon

H Thake, SJ Jenkins - Physical Chemistry Chemical Physics, 2025 - pubs.rsc.org
We present first-principles molecular dynamics simulations of oxygen difluoride im**ing
upon the monohydrogenated Si {001}(2× 1) surface. Adsorption occurred in fewer than 10 …

First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si {001}

IYH Wu, SJ Jenkins - Langmuir, 2022 - ACS Publications
The interaction of highly reactive species with solid surfaces can result in modes of
adsorption quite distinct from the classic molecular and dissociative events that are usually …

Long-range migration of H-atoms from electron-induced dissociation of HS on Si (111)

O MacLean, SY Guo, M Timm… - Journal of Physics …, 2021 - iopscience.iop.org
The electron-induced dissociation of chemisorbed HS to give recoiling H-atoms was
investigated on a Si (111)-7× 7 surface at 270 K by scanning tunnelling microscopy and …

[BOOK][B] The Effects of Surface Anisotropy on Reaction Dynamics

K Anggara - 2018 - search.proquest.com
Reaction dynamics of meta-diiodobenzene (mDIB) and trifluoromethyl (CF3) was studied on
the anisotropic Cu (110) surface at 4.6 K using Scanning Tunneling Microscopy (STM). Both …