Molecular Adsorption on TiO2 and ZnO Surfaces

1993 ◽  
pp. 115-124 ◽  
Author(s):  
G. Thornton
Keyword(s):  
Molecular Adsorption

scholarly journals Imaging molecular adsorption and desorption dynamics on graphene using terahertz emission spectroscopy

2014 ◽  
Vol 4 (1) ◽  
Author(s):  
Y. Sano ◽  
I. Kawayama ◽  
M. Tabata ◽  
K. A. Salek ◽  
H. Murakami ◽  
...  
Keyword(s):  
Emission Spectroscopy ◽  
Molecular Adsorption ◽  
Terahertz Emission ◽  
Adsorption And Desorption ◽  
Terahertz Emission Spectroscopy

THE ADSORPTION AND BONDING OF H2S ON THE α-FeOOH(110) SURFACE

2007 ◽  
Vol 14 (02) ◽  
pp. 209-217 ◽  
Author(s):  
S. SIMONETTI ◽  
D. DAMIANI ◽  
A. JUAN ◽  
G. BRIZUELA
Keyword(s):  
Electronic Structure ◽  
Density Of States ◽  
Minimum Energy ◽  
Stable Configuration ◽  
Molecular Adsorption ◽  
Cluster Calculations

The electronic structure of H 2 S adsorbed on the goethite (110) surface has been studied by ASED-MO cluster calculations. We have studied both the perpendicular and the parallel H 2 S molecular adsorption on the FeOOH (110) surface. We have analyzed the adsorption configuration energies including rotation. The parallel species does not rotate during adsorption and corresponds to the most stable configuration. We have also studied the bonding contributions for the minimum energy configuration and the density of states plots.

Computational Insights into Molecular Adsorption Characteristics of Methylated DNA on Graphene Oxide for Multicancer Early Detection

2021 ◽  
Author(s):  
Unnop Srikulwong ◽  
Witthawat Phanchai ◽  
Pornjuk Srepusharawoot ◽  
Chadamas Sakonsinsiri ◽  
Theerapong Puangmali
Keyword(s):  
Graphene Oxide ◽  
Early Detection ◽  
Molecular Adsorption ◽  
Methylated Dna ◽  
Adsorption Characteristics

Immobilization of ε-polylysine onto the probe surface for molecular adsorption type endotoxin detection system

2007 ◽  
Author(s):  
Katsutoshi Ooe ◽  
Akihito Tsuji ◽  
Naoki Nishishita ◽  
Yoshiaki Hirano
Keyword(s):  
Detection System ◽  
Molecular Adsorption ◽  
Probe Surface

scholarly journals Characterization of individual molecular adsorption geometries by atomic force microscopy: Cu-TCPP on rutile TiO2 (110)

2015 ◽  
Vol 143 (9) ◽  
pp. 094202 ◽  
Author(s):  
Res Jöhr ◽  
Antoine Hinaut ◽  
Rémy Pawlak ◽  
Ali Sadeghi ◽  
Santanu Saha ◽  
...  
Keyword(s):  
Atomic Force Microscopy ◽  
Molecular Adsorption ◽  
Rutile Tio2 ◽  
Force Microscopy ◽  
Atomic Force

PERIODIC HARTREE–FOCK CALCULATION OF THE OXIDATION OF Si(111)

1999 ◽  
Vol 06 (06) ◽  
pp. 1031-1036 ◽  
Author(s):  
PHILIPPE SONNET ◽  
LOUISE STAUFFER ◽  
CHRISTIAN MINOT
Keyword(s):  
Oxygen Atom ◽  
Local Minimum ◽  
Atomic Oxygen ◽  
Potential Surface ◽  
Early Stage ◽  
Heat Of Adsorption ◽  
Molecular Adsorption ◽  
Hartree Fock

We present Hartree–Fock calculations of the adsorption of oxygen on a Si(111)-(2×2) surface, which models the Si(111)-(7×7) structure, including its two main sites (adatom and rest atom sites). In the most stable configurations, molecules dissociate leading to atomic oxygen bridging the adatom backbonds. The molecular adsorption is less favorable. The dioxygen, however, is a local minimum of the potential surface in two cases: (i) in the "grif" geometry; (ii) bridging between a rest atom and an adatom. It then represents a possible precursor for the early stage of oxidation. The presence of an oxygen atom already adsorbed on the surface enhances the heat of adsorption of other oxygen (atomic or molecular) on the same site.

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