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chemistry, physical (216) 216
physics, condensed matter (154) 154
adsorption (137) 137
materials science, multidisciplinary (131) 131
0001 surface (126) 126
physics, applied (120) 120
alpha-al2o3 0001 surface (69) 69
0001 (61) 61
electronic-structure (59) 59
growth (58) 58
physics, atomic, molecular & chemical (53) 53
films (52) 52
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ab-initio (48) 48
surface (47) 47
0001 sapphire (44) 44
analysis (41) 41
spectroscopy (40) 40
water (39) 39
energy (38) 38
alpha-alumina (36) 36
oxidation (36) 36
sapphire (36) 36
alpha-al2o3 0001 (34) 34
scanning-tunneling-microscopy (34) 34
chemistry, multidisciplinary (33) 33
epitaxy (33) 33
molecular-beam epitaxy (33) 33
aluminum oxide (32) 32
gan (32) 32
0001 surfaces (31) 31
chemistry (31) 31
oxygen (31) 31
density-functional theory (30) 30
alumina (29) 29
crystallography (29) 29
thin-films (29) 29
augmented-wave method (27) 27
graphite (27) 27
alpha-al2o3 (26) 26
surfaces (26) 26
al2o3 (25) 25
aluminiumoxid (24) 24
graphite 0001 (24) 24
total-energy calculations (24) 24
density functional theory (23) 23
diffusion (23) 23
interfaces (23) 23
materials science, coatings & films (23) 23
hematite (22) 22
materials science (22) 22
molecular-dynamics (22) 22
zno (22) 22
diffraction (21) 21
physics (21) 21
0001 graphite (20) 20
chemical properties (20) 20
oxide (20) 20
silicon carbide (20) 20
chemical-vapor-deposition (19) 19
morphology (19) 19
simulation (19) 19
substrates (19) 19
0001 face (18) 18
chemisorption (18) 18
halbleiter mit grosser energielücke (18) 18
hydrogen (18) 18
physics, multidisciplinary (18) 18
sapphire 0001 (18) 18
0001 graphite surface (17) 17
defects (17) 17
drei-fünf-verbindung (17) 17
molecular-dynamics simulations (17) 17
oxides (17) 17
research (17) 17
thin films (17) 17
1st principles (16) 16
adhesion (16) 16
atomic force microscopy (16) 16
dichtefunktionaltheorie (16) 16
layers (16) 16
microscopy (16) 16
surface chemistry (16) 16
temperature (16) 16
catalysis (15) 15
chemical vapor deposition (15) 15
density (15) 15
deposition (15) 15
metals (15) 15
oxide surfaces (15) 15
reconstruction (15) 15
sauerstoff (15) 15
stability (15) 15
substrate (15) 15
6h-sic (14) 14
alpha-fe2o3 (14) 14
catalysts (14) 14
dynamics (14) 14
hematite 0001 (14) 14
molecular dynamics (14) 14
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Surface Science Reports, ISSN 0167-5729, 03/2016, Volume 71, Issue 1, pp. 272 - 365
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 06/2014, Volume 118, Issue 25, pp. 13578 - 13589
Adhesion at zinc/alumina interface is a key issue in the field of steelmaking industry, where selective Al oxidation, followed by surface segregation of... 
AUGMENTED-WAVE METHOD | ENERGY | MATERIALS SCIENCE, MULTIDISCIPLINARY | AB-INITIO | ALPHA-ALUMINA | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ULTRATHIN METAL-FILMS | WATER-ADSORPTION | ADHESION | SAPPHIRE 0001 | OXIDE SURFACES | ELECTRONIC-STRUCTURE
Journal Article
Physical Review Letters, ISSN 0031-9007, 04/2000, Volume 84, Issue 16, pp. 3650 - 3653
We report that calculating the Gibbs free energy of the alpha-Al2O3 (0001) surfaces in equilibrium with a realistic environment containing both oxygen and... 
PHYSICS, MULTIDISCIPLINARY | SAPPHIRE 0001 | ELECTRONIC-STRUCTURE
Journal Article
Reports on Progress in Physics, ISSN 0034-4885, 01/2008, Volume 71, Issue 1, p. 016501
Journal Article
Computational Materials Science, ISSN 0927-0256, 01/2016, Volume 111, pp. 47 - 53
Adsorption energies, structural properties and electronic structures of atomic bromine adsorbed in on-surface sites on Mg(0 0 0 1) surface were investigated by... 
Mg surface | Bromine | Work function | Adsorption | Phase diagram | First-principles | ENERGY | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHLORINE | METALS | DISSOCIATION | MAGNESIUM ALLOY | MG 0001 SURFACE | FLUORINE | ELECTRONIC-STRUCTURE | Density functionals | Nonferrous metals | Analysis
Journal Article
ACS Applied Materials & Interfaces, ISSN 1944-8244, 12/2014, Volume 6, Issue 24, pp. 22289 - 22296
Photoelectrochemical solar fuel synthesis devices based on photoactive hematite (α-Fe2O3) anodes have been extensively investigated, yet a fundamental... 
hematite | surface chemistry | heterogeneous catalysis | water oxidation | electrocatalysis | THIN-FILMS | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | PHOTOANODES | ADSORPTION | OXYGEN | PHOTOELECTRODES | HEMATITE 0001 SURFACES | ELECTRODEPOSITION | IRON-OXIDE SURFACES
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 02/2011, Volume 115, Issue 5, pp. 2038 - 2046
Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature.... 
C: Surfaces, Interfaces, Catalysis | OXYHYDROXIDE | MATERIALS SCIENCE, MULTIDISCIPLINARY | ALPHA-ALUMINA | AB-INITIO | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ALPHA-AL2O3 0001 SURFACE | VIBRATIONAL-SPECTRA | SIMULATION | ADSORPTION | AQUEOUS-SOLUTION | MODELS | SILICA | HYDROGEN | DISTRIBUTION | ORIENTATION | SUBSTRATES | 08 HYDROGEN | AMBIENT TEMPERATURE | HYDRATION | WATER
Journal Article
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