List of works - Gilberto Teobaldi

(Sub)surface-Promoted Disproportionation and Absolute Band Alignment in High-Power LiMn2O4 Cathodes

A generic basis for some simple light-operated mechanical molecular machines

scientific article published in October 2004

Adsorption of Organic Molecules on Gold Electrodes

article

Beating the Stoner criterion using molecular interfaces. ⬇️

scientific article

C60 on gold: adsorption, motion, and viscosity

Cadiot–Chodkiewicz Active Template Synthesis of Rotaxanes and Switchable Molecular Shuttles with Weak Intercomponent Interactions ⬇️

scientific article published on 01 January 2008

Chemical Resolution at Ionic Crystal Surfaces Using Dynamic Atomic Force Microscopy with Metallic Tips

scientific article published on 25 May 2011

Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes

scientific article published on 13 September 2016

Contrast stability and ‘stripe’ formation in scanning tunnelling microscopy imaging of highly oriented pyrolytic graphite: the role of STM-tip orientations ⬇️

scientific article published on 29 October 2014

Creating pseudo-Kondo resonances by field-induced diffusion of atomic hydrogen.

scientific article

Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes

Detection of catalytic intermediates at an electrode surface during carbon dioxide reduction by an earth-abundant catalyst

Detection of spin-states in Mn-doped gallium arsenide films

Electron traps and their effect on the surface chemistry of TiO2(110).

scientific article

Emergent magnetism at transition-metal-nanocarbon interfaces. ⬇️

scientific article published on 15 May 2017

Extremely Strong and Readily Accessible AAA−DDD Triple Hydrogen Bond Complexes

scientific article published on 01 January 2007

Geometric Structure ofTiO2(011)(2×1)

scientific article published on 28 October 2008

Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes

scientific article published on 07 April 2009

Inapplicability of exact constraints and a minimal two-parameter generalization to the DFT+ U based correction of self-interaction error ⬇️

article

Internal dynamics and energy transfer in dansylated POPAM dendrimers and their eosin complexes

scientific article published in February 2010

Kinetics of Place-Exchange Reactions of Thiols on Gold Nanoparticles

Macroscopic transport by synthetic molecular machines.

scientific article published on 28 August 2005

Modeling the Adsorption of Alkanes on an Au(111) Surface

Modelling of the adsorption of C60 on the Au(110) surface

Molecular dynamics of a dendrimer-dye guest-host system

scientific article

Optimization of constrained density functional theory ⬇️

article by David D O'Regan & Gilberto Teobaldi published 28 July 2016 in Physical Review B

Polymorphism and isomerisation of an azobenzene derivative on gold

Reversible spin storage in metal oxide-fullerene heterojunctions

scientific article published on 20 March 2020

Role of Metal Lattice Expansion and Molecular π-Conjugation for the Magnetic Hardening at Cu-Organics Interfaces

scientific article published on 3 October 2017

Scanning tunneling microscopy contrast mechanisms for TiO2.

scientific article published on 12 October 2012

Self-assembly of semifluorinated n-alkanethiols on {111}-oriented Au investigated with scanning tunneling microscopy experiment and theory

scientific article published on 01 July 2007

Simulation of some dynamical aspects of the photophysics of dye molecules encapsulated in a dendrimer

Spin-polarized electron transfer inferromagnet/C60interfaces

scholarly article in Physical Review B, vol. 90 no. 12, September 2014

Structural resolution of inorganic nanotubes with complex stoichiometry.

scientific article

Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT ⬇️

article by David H. P. Turban et al published 1 April 2016 in Physical Review B

The ONETEP linear-scaling density functional theory program

scientific article published on 01 May 2020

The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study

The effect of temperature on the internal dynamics of dansylated POPAM dendrimers

scholarly article in RSC Advances, vol. 1 no. 9, 2011

The effect of van der Waals interactions on the properties of intrinsic defects in graphite

scholarly article in Carbon, vol. 48 no. 14, November 2010

The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study.

scientific article published on 25 January 2016

Theory of Scanning Tunneling Microscopy and Applications in Catalysis

Understanding the Cosolvation Effect of Dendrimers

article published in 2005

Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfaces

Water-Hydrogen-Polaron Coupling at Anatase TiO2(101) Surfaces: A Hybrid Density Functional Theory Study

scientific article published on 30 April 2020

List of works by Gilberto Teobaldi

(Sub)surface-Promoted Disproportionation and Absolute Band Alignment in High-Power LiMn2O4 Cathodes

A generic basis for some simple light-operated mechanical molecular machines

Adsorption of Organic Molecules on Gold Electrodes

Beating the Stoner criterion using molecular interfaces. ⬇️

C60 on gold: adsorption, motion, and viscosity

Cadiot–Chodkiewicz Active Template Synthesis of Rotaxanes and Switchable Molecular Shuttles with Weak Intercomponent Interactions ⬇️

Chemical Resolution at Ionic Crystal Surfaces Using Dynamic Atomic Force Microscopy with Metallic Tips

Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes

Contrast stability and ‘stripe’ formation in scanning tunnelling microscopy imaging of highly oriented pyrolytic graphite: the role of STM-tip orientations ⬇️

Creating pseudo-Kondo resonances by field-induced diffusion of atomic hydrogen.

Density functional theory screening of gas-treatment strategies for stabilization of high energy-density lithium metal anodes

Detection of catalytic intermediates at an electrode surface during carbon dioxide reduction by an earth-abundant catalyst

Detection of spin-states in Mn-doped gallium arsenide films

Electron traps and their effect on the surface chemistry of TiO2(110).

Emergent magnetism at transition-metal-nanocarbon interfaces. ⬇️

Extremely Strong and Readily Accessible AAA−DDD Triple Hydrogen Bond Complexes

Geometric Structure ofTiO2(011)(2×1)

Hydroxyl vacancies in single-walled aluminosilicate and aluminogermanate nanotubes

Inapplicability of exact constraints and a minimal two-parameter generalization to the DFT+ U based correction of self-interaction error ⬇️

Internal dynamics and energy transfer in dansylated POPAM dendrimers and their eosin complexes

Kinetics of Place-Exchange Reactions of Thiols on Gold Nanoparticles

Macroscopic transport by synthetic molecular machines.

Modeling the Adsorption of Alkanes on an Au(111) Surface

Modelling of the adsorption of C60 on the Au(110) surface

Molecular dynamics of a dendrimer-dye guest-host system

Optimization of constrained density functional theory ⬇️

Polymorphism and isomerisation of an azobenzene derivative on gold

Reversible spin storage in metal oxide-fullerene heterojunctions

Role of Metal Lattice Expansion and Molecular π-Conjugation for the Magnetic Hardening at Cu-Organics Interfaces

Scanning tunneling microscopy contrast mechanisms for TiO2.

Self-assembly of semifluorinated n-alkanethiols on {111}-oriented Au investigated with scanning tunneling microscopy experiment and theory

Simulation of some dynamical aspects of the photophysics of dye molecules encapsulated in a dendrimer

Spin-polarized electron transfer inferromagnet/C60interfaces

Structural resolution of inorganic nanotubes with complex stoichiometry.

Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT ⬇️

The ONETEP linear-scaling density functional theory program

The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study

The effect of temperature on the internal dynamics of dansylated POPAM dendrimers

The effect of van der Waals interactions on the properties of intrinsic defects in graphite

The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study.

Theory of Scanning Tunneling Microscopy and Applications in Catalysis

Understanding the Cosolvation Effect of Dendrimers

Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfaces

Water-Hydrogen-Polaron Coupling at Anatase TiO2(101) Surfaces: A Hybrid Density Functional Theory Study

What is the orientation of the tip in a scanning tunneling microscope? ⬇️