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Angewandte Chemie (International ed.), ISSN 1433-7851, 2019, Volume 58, Issue 5, pp. 1345 - 1349
Journal Article
Angewandte Chemie - International Edition, ISSN 1433-7851, 01/2019, Volume 58, Issue 5, pp. 1345 - 1349
Ag is a promising catalyst for the production of carbon monoxide (CO) via the electrochemical reduction of carbon dioxide (CO ER). Herein, we study the role of... 
adsorbate-adsorbate interactions | in situ studies | DFT | Raman spectroscopy | electrocatalysis
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 05/2017, Volume 56, Issue 20, pp. 5813 - 5820
...., H2O, H, OH, O, and COOH, on Ni(111), Ni(100), and Ni(211) single-crystal surfaces. It has been shown that although the nature of these adsorbate pair interactions... 
ENGINEERING, CHEMICAL | DFT | METHANATION | MECHANISM | HYDROGEN ECONOMY | SUPPORTED METAL-CATALYSTS | WATER-GAS-SHIFT | TRANSITION-METALS | SELECTIVITY | TRENDS | Adsorbate-adsorbate interaction | water-gas shift reaction | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | surface coverage | density functional theory
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1098-0121, 2008, Volume 78, Issue 8, pp. 085404 - 1/9
We show how Bayesian statistics and density-functional theory can be combined to compute reliable values for the interactions in a cluster expansion for adsorbates on a surface... 
PSEUDOPOTENTIALS | PHYSICS, CONDENSED MATTER | PT SURFACE | CARBON | CO ADSORPTION | KINETICS | DYNAMICS | ADSORBATE-ADSORBATE INTERACTIONS | PHASE-DIAGRAM
Journal Article
New Journal of Physics, ISSN 1367-2630, 02/2008, Volume 10, Issue 2, p. 023033
...) method, in which the substrate-mediated long-range interactions between Fe adatoms are involved... 
OSCILLATORY INTERACTION | THIN-FILM EPITAXY | PHYSICS, MULTIDISCIPLINARY | SUPERLATTICES | ADATOMS | ISLAND NUCLEATION | ADSORBATE-ADSORBATE INTERACTIONS | METAL-SURFACES
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 2006, Volume 73, Issue 11
We present ab initio calculations of a variety of different lattice-gas interaction energies between Cu adatoms on Cu(001) and Cu(111... 
LATERAL INTERACTIONS | PHYSICS, CONDENSED MATTER | MOLECULAR-DYNAMICS | EMBEDDED-ATOM-METHOD | METALS | PHASE-TRANSITIONS | CONSEQUENCES | TOTAL-ENERGY CALCULATIONS | ADSORBATE-ADSORBATE INTERACTIONS | WAVE BASIS-SET | SURFACES
Journal Article
Langmuir, ISSN 0743-7463, 06/2012, Volume 28, Issue 22, pp. 8408 - 8417
... electrostatic interactions and concomitant changes in dipole moments, bond lengths, and vibrational frequencies... 
CATALYSIS | ACCURATE | CHEMISORPTION | ELECTRIC-FIELD | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | BINDING ENERGETICS | ADSORBATE-ADSORBATE INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | TRANSITION | DISSOCIATION | PROMOTION | METAL-SURFACES
Journal Article
Surface Science Reports, ISSN 0167-5729, 2002, Volume 46, Issue 1, pp. 1 - 308
Journal Article