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chemistry, physical (14) 14
adsorption (9) 9
augmented-wave method (9) 9
physics, condensed matter (8) 8
initio molecular-dynamics (6) 6
materials science, multidisciplinary (6) 6
nanoscience & nanotechnology (6) 6
physics, atomic, molecular & chemical (6) 6
surface chemistry (6) 6
water (6) 6
atoms (5) 5
density functional theory (4) 4
desorption (4) 4
molecular-dynamics (4) 4
nanostructure (4) 4
salt (4) 4
chemical properties (3) 3
chemisorption (3) 3
chemistry (3) 3
chemistry, multidisciplinary (3) 3
condensed matter - materials science (3) 3
copper (3) 3
dissociation (3) 3
electronic structure (3) 3
metal-surfaces (3) 3
molecular-dynamics simulation (3) 3
nacl (3) 3
noble-metal surfaces (3) 3
oxygen (3) 3
substrates (3) 3
surface (3) 3
0001 surface (2) 2
36 (2) 2
bonding (2) 2
carbonic-acid (2) 2
chains (2) 2
chemical nanolithography (2) 2
close-packed transition (2) 2
clusters (2) 2
condensed matter (2) 2
condensed matter - mesoscale and nanoscale physics (2) 2
coverage (2) 2
dichtefunktionaltheorie (2) 2
diffusion of adsorbates (2) 2
electronic-structure (2) 2
energiekosten (2) 2
energy (2) 2
environmental molecular sciences laboratory (2) 2
films (2) 2
functionals (2) 2
graphite (2) 2
h2o (2) 2
hoisting (2) 2
ice (2) 2
index medicus (2) 2
mathematical analysis (2) 2
molecules (2) 2
nacl surface (2) 2
oberflächenrekonstruktion (2) 2
oberflächenstruktur (2) 2
scanning tunneling microscope (2) 2
scanning tunneling microscopy (2) 2
scanning tunneling microsopcy (2) 2
scanning-tunneling-microscopy (2) 2
sea-salt (2) 2
self assembly (2) 2
simulation (2) 2
spectroscopy (2) 2
stickoxid (2) 2
surfaces (2) 2
transition (2) 2
tropospheric chemistry (2) 2
water-adsorption (2) 2
0001 face (1) 1
a: molecular structure, quantum chemistry, general theory (1) 1
ab-initio (1) 1
adatoms (1) 1
adsorbate-adsorbate repulsions (1) 1
ambient-temperatures (1) 1
analysis (1) 1
angle-resolved ups (1) 1
atomic steps (1) 1
atomic structure (1) 1
au (1) 1
banded structure (1) 1
bands (1) 1
beams (1) 1
biphenyl compounds - chemistry (1) 1
bombardment (1) 1
bridges (1) 1
c: surfaces, interfaces, catalysis (1) 1
carbon dioxide (1) 1
carbon monoxide (1) 1
carbon nanotubes (1) 1
carbon oxide (1) 1
carbon-nanotube bundles (1) 1
catalytic-oxidation (1) 1
chemical bonds (1) 1
chemical sciences (1) 1
cleaning (1) 1
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The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2009, Volume 113, Issue 2, pp. 493 - 498
Density-functional calculations have been performed to investigate the adsorption of CO2 on defected graphite (0001) represented by a single graphene sheet.... 
A: Molecular Structure, Quantum Chemistry, General Theory | NEUTRON-IRRADIATED GRAPHITE | AUGMENTED-WAVE METHOD | 0001 SURFACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | VACANCY | SIMULATION | FIELD-EMISSION PROPERTIES | DISSOCIATIVE ADSORPTION | CARBON-NANOTUBE BUNDLES | WATER | MOLECULES
Journal Article
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 01/2017, Volume 121, Issue 3, pp. 1608 - 1617
The evolution of titanyl–phthalocyanine (TiOPc) thin films on Ag(111) has been investigated using IRAS (infrared absorption spectroscopy), SPA-LEED (low energy... 
MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | GRAPHITE | TITANYL PHTHALOCYANINE | MOLECULES | TITANYLPHTHALOCYANINE | FILMS | SPECTROSCOPY | NOBLE-METAL SURFACES | SCANNING-TUNNELING-MICROSCOPY | VANADYL PHTHALOCYANINE | SPECTRA
Journal Article
ACS Nano, ISSN 1936-0851, 04/2015, Volume 9, Issue 4, pp. 3572 - 3578
The motion of D sub(2)O monomers is investigated on a NaCl(100) bilayer on Ag(111) between 42.3 and 52.3 K by scanning tunneling microscopy. The diffusion... 
Scanning | Mathematical analysis | Lattices | Surface chemistry | Density functional theory | Nanostructure | Diffusion | Monomers
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 01/2009, Volume 113, Issue 2, pp. 493 - 498
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 01/2009, Volume 113, Issue 2, p. 493
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 12/2007, Volume 111, Issue 49, pp. 18258 - 18263
We have performed density-functional calculations to investigate the adsorption of H2O on perfect and defected graphite (0001) represented by a single graphene... 
AUGMENTED-WAVE METHOD | MOLECULAR-DYNAMICS | 0001 SURFACE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ICE | SIMULATION | CARBON NANOTUBES | SEA-SALT | INTERSTELLAR | TROPOSPHERIC CHEMISTRY | PHOTOCHEMISTRY
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 04/2013, Volume 25, Issue 13, pp. 135003 - 10
The O(2 x 1)/Cu(110) surface reconstruction of the Cu(110) surface is induced by 0.5 ML of oxygen adsorption and is formed by Cu-O chains running along the... 
ANGLE-RESOLVED UPS | OXYGEN | AUGMENTED-WAVE METHOD | PHYSICS, CONDENSED MATTER | RECONSTRUCTION | ADSORPTION | BANDS | INITIO MOLECULAR-DYNAMICS | ELECTRONIC-STRUCTURE | Electronic structure | Fermi surfaces | Condensed matter | Mathematical analysis | Banded structure | Surface chemistry | Chains | Copper
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2016, Volume 18, Issue 14, pp. 9476 - 9483
In a recent study [M. Feng, et al., ACS Nano, 2011, 5, 8877], it was shown that CO molecules adsorbed on the quasi-one-dimensional O(2 1)/Cu(110) surface... 
Adsorption | Surface chemistry | Density functional theory | Dimers | Formations | Cleaning | Copper | Substrates
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 3/2016, Volume 18, Issue 14, pp. 9476 - 9483
In a recent study [M. Feng, et al. , ACS Nano , 2011, 5 , 8877], it was shown that CO molecules adsorbed on the quasi-one-dimensional O(2 × 1)/Cu(110) surface... 
CHEMISTRY, PHYSICAL | CLOSE-PACKED TRANSITION | NOBLE-METAL SURFACES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Journal Article
ACS NANO, ISSN 1936-0851, 04/2015, Volume 9, Issue 4, pp. 3572 - 3578
The motion of D2O monomers is investigated on a NaCl(100) bilayer on Ag(111) between 42.3 and 52.3 K by scanning tunneling microscopy. The diffusion distance... 
INTERFACE STATE | salt | MATERIALS SCIENCE, MULTIDISCIPLINARY | ENERGETICS | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | water | STM | CHEMISTRY, MULTIDISCIPLINARY | scanning tunneling microsopcy | diffusion of adsorbates | density functional theory | SURFACES
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 03/2012, Volume 85, Issue 12
A minimal model based on density-functional theory is proposed and solved to explain the unusual chemisorption properties of carbon-monooxide (CO) molecules on... 
PHYSICS, CONDENSED MATTER | ATOMS | METAL-SURFACES | ADATOMS | ELECTRONIC-STRUCTURE
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 09/2010, Volume 82, Issue 12
Density functional theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially... 
AUGMENTED-WAVE METHOD | PHYSICS, CONDENSED MATTER | CLUSTERS | SPECTROSCOPY | DISSOCIATION | AB-INITIO | LIQUID WATER | METAL-SURFACES | HYDROGEN-BOND NETWORKS | INITIO MOLECULAR-DYNAMICS
Journal Article
Physical Review B, ISSN 1098-0121, 03/2012, Volume 85, Issue 12
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 03/2012, Volume 85, Issue 12
A minimal model based on density-functional theory is proposed and solved to explain the unusual chemisorption properties of carbon-monooxide (CO) molecules on... 
Chemisorption | Self assembly | Electronic structure | Condensed matter | Surface chemistry | Nanostructure | Carbon monoxide | Atomic structure | Hoisting
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 08/2010, Volume 82, Issue 7
Low-temperature scanning tunneling microscopy and density-functional theory (DFT) were used to study the adsorption of water on a Ru(0001) surface covered with... 
AUGMENTED-WAVE METHOD | LEED-IV | PHYSICS, CONDENSED MATTER | ENERGY | COADSORPTION | DISSOCIATION | ATOMS | ADSORPTION | INITIO MOLECULAR-DYNAMICS | HONEYCOMB STRUCTURES | 36 | HEATING | ENERGY ACCOUNTING | PERIODICITY | OXYGEN | HYDROGEN | DESORPTION | FUNCTIONALS | SCANNING TUNNELING MICROSCOPY | WATER
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2/2013, Volume 15, Issue 9, pp. 3233 - 3242
Density functional theory calculations have been used to analyze the electronic and magnetic properties of ultrathin zigzag graphene nanoribbons (ZGNRs) with... 
SELF-ASSEMBLED MONOLAYERS | FORM | SIZE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SULFUR | CHEMICAL NANOLITHOGRAPHY | INITIO MOLECULAR-DYNAMICS | Gold | Ribbons | Graphene | Saturation | Electronics | Nanomaterials | Nanostructure | Sulfur
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 09/2008, Volume 112, Issue 36, pp. 14052 - 14057
The effect of preadsorbed oxygen on the subsequent adsorption and reactions of water on Ru(0001) has been studied using low temperature scanning tunneling... 
C: Surfaces, Interfaces, Catalysis | TRANSITION | AUGMENTED-WAVE METHOD | SCANNING TUNNELING MICROSCOPE | SOLID-SURFACES | COVERAGE | MATERIALS SCIENCE, MULTIDISCIPLINARY | INTACT | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | FUNDAMENTAL-ASPECTS | INITIO MOLECULAR-DYNAMICS
Journal Article
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