Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory
Adsorption geometry and stability of organic molecules on surfaces are key parameters that
determine the observable properties and functions of hybrid inorganic/organic systems …
determine the observable properties and functions of hybrid inorganic/organic systems …
Classification of epitaxy in reciprocal and real space: rigid versus flexible lattices
Early investigations of epitaxy focused on inorganic adsorbates consisting of atoms or few-
atom molecules, where commensurate registries are predominantly encountered …
atom molecules, where commensurate registries are predominantly encountered …
Nonintuitive surface self-assembly of functionalized molecules on Ag (111)
The fabrication of nanomaterials involves self-ordering processes of functional molecules on
inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to …
inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to …
Triggered integer charge transfer: energy-level alignment at an organic-2D material interface
M Schaal, A Baby, M Gruenewald, F Otto… - Nanoscale …, 2024 - pubs.rsc.org
Weakly interacting systems such as organic molecules on monolayers of hexagonal boron
nitride (h-BN) offer the possibility of single integer charge transfer leading to the formation of …
nitride (h-BN) offer the possibility of single integer charge transfer leading to the formation of …
SAMPLE: Surface structure search enabled by coarse graining and statistical learning
In this publication we introduce SAMPLE, a structure search approach for commensurate
organic monolayers on inorganic substrates. Such monolayers often show rich …
organic monolayers on inorganic substrates. Such monolayers often show rich …
Formation and structural characterization of two-dimensional wetting water layer on graphite (0001)
T Yamada, T Tawa, N Murase, HS Kato - The Journal of Chemical …, 2022 - pubs.aip.org
Understanding the structure and wettability of monolayer water is essential for revealing the
mechanisms of nucleation, growth, and chemical reactivity at interfaces. We have …
mechanisms of nucleation, growth, and chemical reactivity at interfaces. We have …
Revealing the molecular structure of soot precursors
The earliest stages of soot formation in flames are believed to involve the formation of small,
nanoscale clusters of polycyclic aromatic hydrocarbon molecules. The structure of these …
nanoscale clusters of polycyclic aromatic hydrocarbon molecules. The structure of these …
Molecular topology and the surface chemical bond: alternant versus nonalternant aromatic systems as functional structural elements
The interaction of carbon-based aromatic molecules and nanostructures with metals can
strongly depend on the topology of their π-electron systems. This is shown with a model …
strongly depend on the topology of their π-electron systems. This is shown with a model …
Growth Mechanism of Chevron Graphene Nanoribbons on (111)-Oriented Coinage Metal Surfaces
Atomically precise on-surface synthesis of graphene nanoribbons (GNRs) with well-defined
width and edge configuration has been widely advanced during the past decade. The main …
width and edge configuration has been widely advanced during the past decade. The main …
Impact of static distortion waves on superlubricity
Friction is a major source of energy loss in mechanical devices. This energy loss may be
minimized by creating interfaces with extremely reduced friction, ie, superlubricity …
minimized by creating interfaces with extremely reduced friction, ie, superlubricity …