anie_200907312_sm_top_130_7fps.mp4 (3.04 MB)
Molecular rolling motion on a heated surface (top view)
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posted on 2016-07-10, 18:32 authored by gloria tabacchigloria tabacchi, Ettore Fois, Davide Barreca, Alberto Gasparotto, Eugenio TondelloMovie showing the behaviour of a molecular precursor for the chemical vapor deposition of copper oxide nanostructures on the heated surface of the growth support. The molecule is viewed from top of the surface.
Atom colors - Molecular complex: Cu=yellow, F=green, O=red, N=blue, C=grey, H=white. Surface: Si=black, O=red, H=white.
The movie is part of the supporting data for the paper: “Hot” Surface Activation of Molecular Complexes: Insight from Modeling Studies", Angewandte Chemie International Edition, 49: 1944–1948. doi:10.1002/anie.200907312.
The published paper, the green open access version of the paper, a simple explanation of the results, and further material (another movie and a poster) are available at the links below
Funding
†MIUR-PRIN-2007 project “Microscopic features of chemical reactivity”, CNR-INSTM PROMO and CARIPARO Foundation within the project “Multi-layer optical devices based on inorganic and hybrid materials by innovative synthetic strategies” assisted financially
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- Nanochemistry
- Supramolecular chemistry
- Solid state chemistry
- Transition metal chemistry
- Transport properties and non-equilibrium processes
- Theoretical and computational chemistry not elsewhere classified
- Macromolecular and materials chemistry not elsewhere classified
- Physical properties of materials
- Other chemical sciences not elsewhere classified
- Computational chemistry
- Catalysis and mechanisms of reactions
- Chemical thermodynamics and energetics
- Colloid and surface chemistry
- Atomic and molecular physics
- Physical chemistry not elsewhere classified
- Theoretical quantum chemistry
- Theory and design of materials
- Nanofabrication, growth and self assembly
- Nanomaterials
- Nanotechnology not elsewhere classified
- Inorganic materials (incl. nanomaterials)
- Macromolecular materials
- Structure and dynamics of materials
- Condensed matter modelling and density functional theory
- Condensed matter physics not elsewhere classified
- Structural properties of condensed matter
- Surface properties of condensed matter
Keywords
nanomaterialsnanotechnologychemical vapor depositiondensity functional calculationsFirst Principles Molecular Dynamicstransition metalstransition metal oxidesoxidescoppercopper oxidenanostructuresnanomaterial fabricationbottom-upnanosciencecatalysissurface sciencesurface chemistryactivationtransition metal complexesliganddiaminodiketonatediffusionMolecular Diffusion Processactrivationmodeling and simulationscomputational modelsthin filmsnanostructure growthfragmentationdecompositionhigh-temperatureNanochemistry and Supramolecular ChemistrySolid State ChemistryTransition Metal ChemistryTransport Properties and Non-equilibrium ProcessesTheoretical and Computational Chemistry not elsewhere classifiedSynthesis of MaterialsPhysical Chemistry of MaterialsChemical Sciences not elsewhere classifiedComputational ChemistryCatalysis and Mechanisms of ReactionsChemical Thermodynamics and EnergeticsColloid and Surface ChemistryMolecular PhysicsPhysical Chemistry not elsewhere classifiedQuantum ChemistryTheory and Design of MaterialsNanofabrication, Growth and Self AssemblyNanomaterialsNanotechnology not elsewhere classifiedChemical Characterisation of MaterialsMacromolecular and Materials Chemistry not elsewhere classifiedSupramolecular ChemistryCondensed Matter Modelling and Density Functional TheoryCondensed Matter PhysicsCondensed Matter Physics not elsewhere classifiedSurfaces and Structural Properties of Condensed Matter
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