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Highly Ordered Boron Nitride/Epigraphene Epitaxial Films on Silicon Carbide by Lateral Epitaxial Deposition
James Gigliotti, Xin Li, Suresh Sundaram +14
Realizing high-performance nanoelectronics requires control of materials at the nanoscale. Methods to produce high quality epitaxial graphene (EG) nanostructures on silicon carbide…
Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface
Chun Zhang, Bokwon Yoon, Uzi Landman
Here we show results of first-principles investigations aiming at tuning and controlling the catalytic activity of gold nanoclusters through the design of the underlying support. W…
Shell-correction and orbital-free density-functional methods for finite systems
Constantine Yannouleas, Uzi Landman
Orbital-free (OF) methods promise significant speed-up of computations based on density functional theory (DFT). In this field, the development of accurate kinetic-energy density f…
Instability driven fragmentation of nanoscale fractal islands
C. Brechignac, Ph. Cahuzac, F. Carlier +5
Formation and evolution of fragmentation instabilities in fractal islands, obtained by deposition of silver clusters on graphite, are studied. The fragmentation dynamics and subseq…
Thermal quenching of electronic shells and channel competition in cluster fission
Constantine Yannouleas, Uzi Landman, C. Brechignac +3
Experimental and theoretical studies of fission of doubly-charged Li, Na, and K clusters in the low fissility regime reveal the strong influence of electronic shell effects on the…
CO oxidation on a single Pd atom supported on magnesia
S. Abbet, U. Heiz, H. Hakkinen +1
The oxidation of CO on single Pd atoms anchored to MgO(100) surface oxygen vacancies is studied with temperature-programmed-reaction mass-spectrometry and infrared spectroscopy. In…