List of works - Yannick J Dappe

2D vertical field-effect transistor

article

A unified model for metal/organic interfaces: IDIS, ‘pillow’ effect and molecular permanent dipoles

Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

scholarly article in Physical Review B, vol. 91 no. 4, January 2015

Adsorption of small inorganic molecules on a defective MoS2 monolayer.

scientific article published on 24 March 2017

Angle dependence of the local electronic properties of the graphene/MoS2 interface determined by ab initio calculations

Atomic force microscope measurements andLCAO−S2 + vdW calculations of contact length between a carbon nanotube and a graphene surface

scholarly article in Physical Review B, vol. 83 no. 4, January 2011

Atomically Sharp Interface in an h-BN-epitaxial graphene van der Waals Heterostructure

scientific article

Band Alignment and Minigaps in Monolayer MoS2-Graphene van der Waals Heterostructures.

scientific article

Bandgap inhomogeneity of MoS 2 monolayer on epitaxial graphene bilayer in van der Waals p-n junction

scientific article published in December 2016

Barrier Formation at Organic Interfaces in a Cu(100)-benzenethiolate-pentacene Heterostructure

scientific article published in Physical Review Letters

Bending modes, elastic constants and mechanical stability of graphitic systems

scholarly article in Carbon, vol. 49 no. 1, January 2011

Blue phosphorene reactivity on the Au(111) surface

scientific article published on 25 September 2020

C60 as an Atom Trap to Capture Co Adatoms

C6H6/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interaction

scientific article published on 01 January 2011

Carbon tips for all-carbon single-molecule electronics.

scientific article

Charge injection through single and double carbon bonds

scientific article

Charge transfers and charged defects in WSe2 /graphene-SiC interfaces

scientific article published on 17 March 2020

Charge transport in hybrid platinum/molecule/graphene single molecule junctions

scientific article published on 12 June 2020

Control of Molecule–Metal Interaction by Hydrogen Manipulation in an Organic Molecule

scientific article published on 01 April 2016

Correction to Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS in the Presence of Defects, Strain, and Charged Impurities

scholarly article published in ACS Nano

Correction to Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the Presence of Defects, Strain, and Charged Impurities

scholarly article published in ACS Nano

Description of the coherent and incoherent processes in two-photon photoemission on Cu(111) surface

Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces

Direct observation of the band structure in bulk hexagonal boron nitride

scholarly article in Physical Review B, vol. 95 no. 8, February 2017

Dynamical screening of the van der Waals interaction between graphene layers

scientific article published on 03 October 2012

Dynamics of the image surface state in two-photon photoemission spectroscopy

scholarly article in Physical Review B, vol. 63 no. 15, March 2001

Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum

scholarly article in Carbon, vol. 54, April 2013

Effect of van der Waals interaction on energetics and transport properties of a single anthracene molecule adsorbed or confined inside a carbon nanotube

scholarly article in Physical Review B, vol. 85 no. 4, January 2012

Electroluminescence of a Polythiophene Molecular Wire Suspended between a Metallic Surface and the Tip of a Scanning Tunneling Microscope

scientific article

Electronic and structural properties of graphene-based metal-semiconducting heterostructures engineered by silicon intercalation

scientific article published in September 2014

Electronic properties of zero-layer graphene on 6H-SiC(0001) substrate decoupled by silicon intercalation

Electronic transport through single noble gas atoms

scholarly article in Physical Review B, vol. 84 no. 19, November 2011

Encapsulation of organic molecules in carbon nanotubes: role of the van der Waals interactions

article

Energy level alignment at metal/organic semiconductor interfaces: “Pillow” effect, induced density of interface states, and charge neutrality level

scientific article published on 01 April 2007

Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices

scientific article

First-principles investigation of the structural and electronic properties of self-assemblies of functional molecules on graphene

Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study.

scientific article published on 12 March 2018

Graphene as a Promising Electrode for Low-Current Attenuation in Nonsymmetric Molecular Junctions.

scientific article published on 26 September 2016

Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations

Impact on Interface Spin Polarization of Molecular Bonding to Metallic Surfaces

scientific article published on 13 August 2010

Influence of neighboring levels in three-pulse photon-echo processes

Influence of the nonresonant processes in the dynamics of the image-potential states of Cu(100) and Ag(100)

scholarly article in Physical Review B, vol. 67 no. 23, June 2003

Intermolecular interaction in density functional theory: Application to carbon nanotubes and fullerenes

scholarly article in Physical Review B, vol. 79 no. 16, April 2009

Large area molybdenum disulphide- epitaxial graphene vertical Van der Waals heterostructures

scientific article

Local-orbital occupancy formulation of density functional theory: Application to Si, C, and graphene

scholarly article in Physical Review B, vol. 73 no. 23, June 2006

Molecular detection on a defective MoS2 monolayer by simultaneous conductance and force simulations

scholarly article in Physical Review B, vol. 95 no. 21, June 2017

Molecular-scale dynamics of light-induced spin cross-over in a two-dimensional layer

scientific article

On the Evolution of Pt Nanoparticles on Few-Layer Graphene Supports in the High-Temperature Range

Optimized atomic-like orbitals for first-principles tight-binding molecular dynamics

Perfect spin filtering by symmetry in molecular junctions

scholarly article in Physical Review B, vol. 93 no. 20, May 2016

Pulling and Stretching a Molecular Wire to Tune its Conductance. ⬇️

scientific article published on 29 July 2015

Reactivity Enhancement and Fingerprints of Point Defects on a MoS2 Monolayer Assessed by ab Initio Atomic Force Microscopy

Role of the van der Waals forces in the ability of a double-walled carbon nanotube to accommodate a C60molecule: The example of C60@(15,0)@(24,0)

scholarly article in Physical Review B, vol. 84 no. 19, November 2011

Self-organized metal-semiconductor epitaxial graphene layer on off-axis 4H-SiC(0001)

Structure and Charge Transport Anisotropy of Polythieno[3,4-b ]-Thiophene-co -Benzodithiophene (PTB7) Oriented by High-Temperature Rubbing

Study of the surface dielectric function: toward screening field effects in optical nonlinearities

Symmetry Effects on Attenuation Factors in Graphene-Based Molecular Junctions

scientific article published on 27 November 2017

Symmetry-Derived Half-Metallicity in Atomic and Molecular Junctions

scientific article published on 16 April 2015

Tailoring the Structure of Two‐Dimensional Self‐Assembled Nanoarchitectures Based on Ni II –Salen Building Blocks

scientific article published on 15 September 2014

Theoretical characterisation of point defects on a MoS2 monolayer by scanning tunnelling microscopy

scientific article

Theoretical study of carbon-based tips for scanning tunnelling microscopy

scientific article published on 10 February 2016

Time-delayed infrared-visible probe pulses in five-wave mixing spectroscopy

Tunable Doping in Hydrogenated Single Layered Molybdenum Disulfide.

scientific article published in February 2017

Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry

scientific article published on 29 September 2017

Tuning the work function of monolayer graphene on 4H-SiC (0001) with nitric acid

scientific article

Two-Dimensional Self-Assembly Monitored by Hydrogen Bonds for Triphenylene-Based Molecules: New Role for Azobenzenes

Ultrafast electron dynamics in twisted graphene by femtosecond photoemission electron microscopy

scholarly article in Carbon, vol. 124, November 2017

Ultrafast nonlinear optical properties of bundles of carbon nanotubes

scholarly article in Carbon, vol. 49 no. 9, August 2011

Weak chemical interaction and van der Waals forces between graphene layers: A combined density functional and intermolecular perturbation theory approach

scholarly article in Physical Review B, vol. 74 no. 20, November 2006

Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the Presence of Defects, Strain, and Charged Impurities.

scientific article published on 9 October 2017

van der Waals interactions mediating the cohesion of fullerenes on graphene

scholarly article in Physical Review B, vol. 86 no. 12, September 2012

List of works by Yannick J Dappe

2D vertical field-effect transistor

A unified model for metal/organic interfaces: IDIS, ‘pillow’ effect and molecular permanent dipoles

Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

Adsorption of small inorganic molecules on a defective MoS2 monolayer.

Angle dependence of the local electronic properties of the graphene/MoS2 interface determined by ab initio calculations

Atomic force microscope measurements andLCAO−S2 + vdW calculations of contact length between a carbon nanotube and a graphene surface

Atomically Sharp Interface in an h-BN-epitaxial graphene van der Waals Heterostructure

Band Alignment and Minigaps in Monolayer MoS2-Graphene van der Waals Heterostructures.

Bandgap inhomogeneity of MoS 2 monolayer on epitaxial graphene bilayer in van der Waals p-n junction

Barrier Formation at Organic Interfaces in a Cu(100)-benzenethiolate-pentacene Heterostructure

Bending modes, elastic constants and mechanical stability of graphitic systems

Blue phosphorene reactivity on the Au(111) surface

C60 as an Atom Trap to Capture Co Adatoms

C6H6/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interaction

Carbon tips for all-carbon single-molecule electronics.

Charge injection through single and double carbon bonds

Charge transfers and charged defects in WSe2 /graphene-SiC interfaces

Charge transport in hybrid platinum/molecule/graphene single molecule junctions

Control of Molecule–Metal Interaction by Hydrogen Manipulation in an Organic Molecule

Correction to Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS in the Presence of Defects, Strain, and Charged Impurities

Correction to Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the Presence of Defects, Strain, and Charged Impurities

Description of the coherent and incoherent processes in two-photon photoemission on Cu(111) surface

Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces

Direct observation of the band structure in bulk hexagonal boron nitride

Dynamical screening of the van der Waals interaction between graphene layers

Dynamics of the image surface state in two-photon photoemission spectroscopy

Effect of van der Waals forces on the stacking of coronenes encapsulated in a single-wall carbon nanotube and many-body excitation spectrum

Effect of van der Waals interaction on energetics and transport properties of a single anthracene molecule adsorbed or confined inside a carbon nanotube

Electroluminescence of a Polythiophene Molecular Wire Suspended between a Metallic Surface and the Tip of a Scanning Tunneling Microscope

Electronic and structural properties of graphene-based metal-semiconducting heterostructures engineered by silicon intercalation

Electronic properties of zero-layer graphene on 6H-SiC(0001) substrate decoupled by silicon intercalation

Electronic transport through single noble gas atoms

Encapsulation of organic molecules in carbon nanotubes: role of the van der Waals interactions

Energy level alignment at metal/organic semiconductor interfaces: “Pillow” effect, induced density of interface states, and charge neutrality level

Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices

First-principles investigation of the structural and electronic properties of self-assemblies of functional molecules on graphene

Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study.

Graphene as a Promising Electrode for Low-Current Attenuation in Nonsymmetric Molecular Junctions.

Imaging Molecular Orbitals of PTCDA on Graphene on Pt(111): Electronic Structure by STM and First-Principles Calculations

Impact on Interface Spin Polarization of Molecular Bonding to Metallic Surfaces

Influence of neighboring levels in three-pulse photon-echo processes

Influence of the nonresonant processes in the dynamics of the image-potential states of Cu(100) and Ag(100)

Intermolecular interaction in density functional theory: Application to carbon nanotubes and fullerenes

Large area molybdenum disulphide- epitaxial graphene vertical Van der Waals heterostructures

Local-orbital occupancy formulation of density functional theory: Application to Si, C, and graphene

Molecular detection on a defective MoS2 monolayer by simultaneous conductance and force simulations

Molecular-scale dynamics of light-induced spin cross-over in a two-dimensional layer

On the Evolution of Pt Nanoparticles on Few-Layer Graphene Supports in the High-Temperature Range

Optimized atomic-like orbitals for first-principles tight-binding molecular dynamics

Perfect spin filtering by symmetry in molecular junctions

Pulling and Stretching a Molecular Wire to Tune its Conductance. ⬇️

Reactivity Enhancement and Fingerprints of Point Defects on a MoS2 Monolayer Assessed by ab Initio Atomic Force Microscopy

Role of the van der Waals forces in the ability of a double-walled carbon nanotube to accommodate a C60molecule: The example of C60@(15,0)@(24,0)

Self-organized metal-semiconductor epitaxial graphene layer on off-axis 4H-SiC(0001)

Structure and Charge Transport Anisotropy of Polythieno[3,4-b ]-Thiophene-co -Benzodithiophene (PTB7) Oriented by High-Temperature Rubbing

Study of the surface dielectric function: toward screening field effects in optical nonlinearities

Symmetry Effects on Attenuation Factors in Graphene-Based Molecular Junctions

Symmetry-Derived Half-Metallicity in Atomic and Molecular Junctions

Tailoring the Structure of Two‐Dimensional Self‐Assembled Nanoarchitectures Based on Ni II –Salen Building Blocks

Theoretical characterisation of point defects on a MoS2 monolayer by scanning tunnelling microscopy

Theoretical study of carbon-based tips for scanning tunnelling microscopy

Time-delayed infrared-visible probe pulses in five-wave mixing spectroscopy

Tunable Doping in Hydrogenated Single Layered Molybdenum Disulfide.

Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry

Tuning the work function of monolayer graphene on 4H-SiC (0001) with nitric acid

Two-Dimensional Self-Assembly Monitored by Hydrogen Bonds for Triphenylene-Based Molecules: New Role for Azobenzenes

Ultrafast electron dynamics in twisted graphene by femtosecond photoemission electron microscopy

Ultrafast nonlinear optical properties of bundles of carbon nanotubes

Weak chemical interaction and van der Waals forces between graphene layers: A combined density functional and intermolecular perturbation theory approach

Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the Presence of Defects, Strain, and Charged Impurities.

van der Waals interactions mediating the cohesion of fullerenes on graphene