Chemical manipulation of multifunctional hydrocarbons on silicon surfaces

TR Leftwich, AV Teplyakov - Surface science reports, 2008 - Elsevier
Over the last three decades reactions of organic and organometallic compounds on silicon
surfaces have been of great interest. This interest has been fueled by potential applications …

Physical properties and chemical reactivity of the buckled dimer on Si (1 0 0)

J Yoshinobu - Progress in surface science, 2004 - Elsevier
The chemical reactivity of the buckled dimer on Si (100) is reviewed from the viewpoint of
physical properties of the substrate and the molecules, which have been obtained by …

[HTML][HTML] A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

M Raupach, R Tonner - The Journal of chemical physics, 2015 - pubs.aip.org
The development and first applications of a new periodic energy decomposition analysis
(pEDA) scheme for extended systems based on the Kohn-Sham approach to density …

Formation of Si/organic interfaces using alkyne-functionalized cyclooctynes—precursor-mediated adsorption of linear alkynes versus direct adsorption of cyclooctyne …

C Länger, J Heep, P Nikodemiak… - Journal of Physics …, 2018 - iopscience.iop.org
Adsorption of ethynyl-cyclopropyl-cyclooctyne (ECCO), an alkyne-functionalized
cyclooctyne, on Si (0 0 1) was studied by means of x-ray photoelectron spectroscopy (XPS) …

Chemisorption of a strained but flexible molecule: Cyclooctyne on Si (001)

L Pecher, C Schober, R Tonner - Chemistry–A European …, 2017 - Wiley Online Library
The adsorption characteristics of a promising system for hybrid organic–inorganic interfaces,
cyclooctyne on Si (001), is analyzed using density functional theory. The chemisorbed′ on …

Site‐specific reactivity of ethylene at distorted dangling‐bond configurations on Si (001)

L Pecher, G Mette, M Dürr, R Tonner - ChemPhysChem, 2017 - Wiley Online Library
Differences in adsorption and reaction energetics for ethylene on Si (001) are reported with
respect to distorted dangling‐bond configurations induced by hydrogen precoverage, as …

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 …

Site-selective reactivity of ethylene on clean and hydrogen precovered Si (0 0 1)

G Mette, CH Schwalb, M Dürr, U Höfer - Chemical Physics Letters, 2009 - Elsevier
Site-selective adsorption of ethylene on Si (001) has been investigated by means of
scanning tunneling microscopy (STM). Two different adsorption pathways are identified with …

Real-space adsorption studies of cyclooctyne on Si (0 0 1)

G Mette, M Dürr, R Bartholomäus, U Koert… - Chemical Physics …, 2013 - Elsevier
Adsorption of cyclooctyne on Si (001) was investigated by means of scanning tunneling
microscopy. Two different adsorption configurations were identified for the chemisorbed …

Atomistic Insight into Nitrogen-Terminated Diamond(001) Surfaces by the Adsorption of N, NH, and NH2: A Density Functional Theory Study

Y Zheng, A Hoffman, K Huang - Langmuir, 2021 - ACS Publications
Layer-by-layer construction of diamond devices for spin-sensing calls for the atomistic
understanding of the nitrogen species on diamond surfaces. Motivated by recent …