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

Journal of physics. D, Applied physics, 2014-02, Vol.47 (8), p.1-16

Dappe, Y J

2014

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Where do the counterions go? Tip-induced dissociation of self-assembled triazatriangulenium-based molecules on Au(111)

Physical chemistry chemical physics : PCCP, 2021-04, Vol.23 (16), p.993-9937

2021

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

The Journal of chemical physics, 2007-04, Vol.126 (14), p.144703-144703

2007

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Impact on interface spin polarization of molecular bonding to metallic surfaces

Physical review letters, 2010-08, Vol.105 (7), p.077201-077201, Article 077201

2010

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Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (4), Article 045427

2015

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

Carbon (New York), 2014-09, Vol.76, p.27-39

2014

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

Computational materials science, 2007-06, Vol.39 (4), p.759-766

2007

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

Nanotechnology, 2016-03, Vol.27 (10), p.105702-105702

2016

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Carbon tips for all-carbon single-molecule electronics

Nanoscale, 2014-06, Vol.6 (12), p.6953-6958

2014

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Barrier formation at organic interfaces in a Cu(100)-benzenethiolate-pentacene heterostructure

Physical review letters, 2008-01, Vol.100 (2), p.027601-027601, Article 027601

2008

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

Surface and interface analysis, 2014-12, Vol.46 (12-13), p.1273-1277

2014

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

Applied surface science, 2007-10, Vol.254 (1), p.378-382

2007

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

Journal of physics. D, Applied physics, 2017-03, Vol.50 (17)

2017

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Bending modes, elastic constants and mechanical stability of graphitic systems

Carbon (New York), 2011, Vol.49 (1), p.62-69

2011

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Theoretical study of carbon-based tips for scanning tunnelling microscopy

Nanotechnology, 2016-03, Vol.27 (10), p.105201-105201

2016

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2D vertical field-effect transistor

Nanotechnology, 2018-12, Vol.29 (50), p.505708-505708

2018

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

Physical review. B, Condensed matter and materials physics, 2009-04, Vol.79 (16), Article 165409

2009

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

Nanotechnology, 2020-04, Vol.31 (25), p.255709-255709

2020

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

Nanotechnology, 2018-06, Vol.29 (22), p.225704-225704

2018

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

The Journal of chemical physics, 2011-01, Vol.134 (4), p.044701-044701

2011

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

Physical review. B, Condensed matter and materials physics, 2006-11, Vol.74 (20), Article 205434

2006

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Van der Waals forces in the local-orbital Density Functional Theory

Europhysics letters, 2005-05, Vol.70 (3), p.355-361

2005

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van der Waals interactions mediating the cohesion of fullerenes on graphene

Physical review. B, Condensed matter and materials physics, 2012-09, Vol.86 (12), Article 121407

2012

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Graphene/aluminum oxide interfaces for nanoelectronic devices

Electronic Structure, 2023-12, Vol.5 (4), p.45005

2023

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Dynamical screening of the van der Waals interaction between graphene layers

Journal of physics. Condensed matter, 2012-10, Vol.24 (42), p.424208-424208

2012

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

Where do the counterions go? Tip-induced dissociation of self-assembled triazatriangulenium-based molecules on Au(111)

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

Impact on interface spin polarization of molecular bonding to metallic surfaces

Adsorption and STM imaging of polycyclic aromatic hydrocarbons on graphene

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

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

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

Carbon tips for all-carbon single-molecule electronics

Barrier formation at organic interfaces in a Cu(100)-benzenethiolate-pentacene heterostructure

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

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

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

Bending modes, elastic constants and mechanical stability of graphitic systems

Theoretical study of carbon-based tips for scanning tunnelling microscopy

2D vertical field-effect transistor

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

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

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

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

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

Van der Waals forces in the local-orbital Density Functional Theory

van der Waals interactions mediating the cohesion of fullerenes on graphene

Graphene/aluminum oxide interfaces for nanoelectronic devices

Dynamical screening of the van der Waals interaction between graphene layers

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