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Publications

Publications

No. of Publications: 49

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Ab Initio Molecular Dynamics

Azobenzene

Azulene

Basin Hopping

Bisphenol

CO2 reduction catalyst

Carbon Nanotubes

Castep

Cellulose

Cellulose surfaces

DFTB+

DeltaSCF

Density Functional Theory

Density Functional Tight-Binding

Excited States

FHIaims

Graphene

Inverse Design

Materials structure search

Metal Organic Frameworks

Molecular Switches

NEXAFS

Naphthalene

Near-Edge X-ray Absorption Fine-Structure

PTCDA

Porphine

Retinoic Acid

Scanning Tunneling Microscopy

Scanning Tunneling Spectroscopy

SchNOrb

SchNet

Self-assembled monolayers

Silicon clusters

Silicon surface

Single Crystal Microcalorimetry

TCNQ

Temperature Programmed Desorption

Time dependent perturbation theory

X ray photoelectron spectroscopy

X ray standing waves

benchmark databases

boron-doped diamond

cellulose surface

charge transfer

coordination complex

curvilinear coordinates

dispersion interactions

dissociative chemisorption

electrochemical metal deposition

electronic friction

energy dissipation

finite temperature effects

global optimization

hot electron chemistry

hybridization

intermolecular interactions

machine learning

many body dispersion

metal surface

molecular dynamics

molecular rotors

nonadiabatic coupling

organic crystals

self-assembly

semi-empirical methods

single-crystal adsorption calorimetry

transmission electron microscopy

vibrational energy dissipation

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Switching of an Azobenzene-Tripod Molecule on Ag(111)

Katharina Scheil, Thiruvancheril G. Gopakumar, Julia Bahrenburg, Friedrich Temps, Reinhard J. Maurer, Karsten Reuter, Richard Berndt, J. Phys. Chem. Lett. 7, 2080-2084 (2016)

We observe and interpret the mechanism of multistate switching of an Azobenzene Tripod on Ag(111) using STM, STS and Density Functional Theory.

Tue 17 Oct 2017, 22:01 | Tags: Scanning Tunneling Spectroscopy, Density Functional Theory, metal surface, Azobenzene, Molecular Switches, Scanning Tunneling Microscopy, dispersion interactions

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Theoretical Surface Chemistry Group
Contact: Dr Reinhard J. Maurer, Department of Chemistry, University of Warwick, Gibbet Hill Rd, Coventry, CV4 7AL, UK

Page contact: Reinhard Maurer
Last revised: Tue 19 May 2020

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