Lista de obras - Axel Gross - Dominio Público Uruguay

A highly ordered, aromatic bidentate self-assembled monolayer on Au(111): a combined experimental and theoretical study

artículo científico publicado en 2010

A molecular double decker: extending the limits of current metal-molecule hybrid structures

scientific article published on 01 January 2010

Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2Pt(111)

artículo científico publicado en 2006

Ab initio molecular dynamics simulations of the adsorption of H2 on palladium surfaces.

artículo científico publicado en 2010

Ab initio molecular dynamics study of hot atom dynamics after dissociative adsorption of H2 on Pd(100)

artículo científico publicado en 2009

Adsorption dynamics of H2 on Pd(100) from first principles.

artículo científico publicado en 2009

Adsorption of Ultrathin Ethylene Carbonate Films on Pristine and Lithiated Graphite and Their Interaction with Li

scientific article published on 11 July 2018

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects.

artículo científico publicado en 2010

Adsorption of supramolecular building blocks on graphite: a force field and density functional theory study

artículo científico publicado en 2011

Bottom-up formation of robust gold carbide

artículo científico publicado en 2015

CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects

artículo científico publicado en 2007

Coexistence of Atomic and Molecular Chemisorption States:H2/Pd(210)

artículo científico publicado en 2001

Concentration and Coverage Dependent Adlayer Structures: From Two-Dimensional Networks to Rotation in a Bearing

Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations ⬇️

artículo científico publicado el 7 de noviembre de 2011

Density fluctuations as door-opener for diffusion on crowded surfaces

artículo científico publicado en 2019

Design and Tuning of the Electrochemical Properties of Vanadium-Based Cation-Disordered Rock-Salt Oxide Positive Electrode Material for Lithium-Ion Batteries

scientific article published on 17 October 2019

Design of Nickel-Based Cation-Disordered Rock-Salt Oxides: The Effect of Transition Metal (M = V, Ti, Zr) Substitution in LiNi0.5M0.5O2 Binary Systems

artículo científico publicado en 2018

Dispersive interactions in water bilayers at metallic surfaces: a comparison of the PBE and RPBE functional including semiempirical dispersion corrections

artículo científico publicado en 2012

Energetics driving the short-range order in CuxPd1-x/Ru(0001) monolayer surface alloys

artículo científico publicado en 2007

Experimental analysis of charge redistribution due to chemical bonding by high-resolution transmission electron microscopy

article

Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale

artículo científico publicado en 2018

General discussion

Gross and Scheffler Reply

scientific article published on 01 July 1996

Hierarchical interactions and their influence upon the adsorption of organic molecules on a graphene film

artículo científico publicado en 2011

Hierarchically Self-Assembled Host–Guest Network at the Solid–Liquid Interface for Single-Molecule Manipulation

artículo científico publicado en 2008

High-dimensional quantum dynamical study of the dissociation of H2 on Pd110

scientific article published on 01 March 2004

High-dimensional quantum dynamics of adsorption and desorption of H2 at Cu(111)

scientific article published on 01 December 1994

Hydrogen dissociation dynamics on precovered Pd surfaces: Langmuir is still right

artículo científico publicado en 2007

Improved DFT Adsorption Energies with Semiempirical Dispersion Corrections

scientific article published on 24 April 2019

Influence of electric fields on metal self-diffusion barriers and its consequences on dendrite growth in batteries

scientific article published on 01 December 2019

Influence of water on elementary reaction steps in electrocatalysis

scientific article published on 01 January 2008

Interaction of a Self-Assembled Ionic Liquid Layer with Graphite(0001): A Combined Experimental and Theoretical Study

artículo científico publicado en 2015

Kinetic Monte Carlo simulations of the interaction of oxygen with Pt(111).

artículo científico publicado en 2007

Lowering energy barriers in surface reactions through concerted reaction mechanisms

scientific article published on 07 August 2012

Monodisperse microisland formation on Ni/Ru(0001) monolayers

scientific article published on 10 November 2008

Oxidation of an organic adlayer: a bird's eye view.

artículo científico publicado en 2012

Quantum electron transport through ultrathin Si films: effects of interface passivation on Fermi-level pinning

artículo científico publicado en 2008

Quantum theory of dissociative chemisorption on metal surfaces

artículo científico publicado en 2002

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study

scientific article published on 01 December 2018

Reduced Pd density of states in Pd/SAM/Au junctions: the role of adsorbed hydrogen atoms.

artículo científico publicado en 2012

Semiconductor-metal transition induced by nanoscale stabilization

artículo científico publicado en 2015

Six-dimensional quantum dynamics of adsorption and desorption of H2 at Pd(100): Steering and steric effects

artículo científico publicado en 1995

Spiral adsorbate structures on monoatomic nanowire electrodes

artículo científico publicado en 2008

Structure and local reactivity of PdAg/Pd(111) surface alloys ⬇️

artículo científico publicado el 7 de febrero de 2013

Surface configuration and wettability of nickel(oxy)hydroxides: a first-principles investigation.

artículo científico publicado en 2017

Surface strain versus substrate interaction in heteroepitaxial metal layers: Pt on Ru(0001)

artículo científico publicado en 2003

The Dynamic Nature of CO Adlayers on Pt(111) Electrodes

artículo científico publicado en 2020

The electric double layer at metal-water interfaces revisited based on a charge polarization scheme

scientific article published on 01 August 2018

The role of surface defects in large organic molecule adsorption: substrate configuration effects

artículo científico publicado en 2012

Theoretical investigation of the interaction of CH(4) with Al(2) and Al(3) neutral and charged clusters

artículo científico publicado en 2010

Theoretical study of the O₂ interaction with a tetrahedral Al₄ cluster.

artículo científico publicado en 2010

Total oxidation of methanol on Cu(110): a density functional theory study

scientific article published on 18 August 2007

Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics

scientific article published on 27 February 2019

Toward the Microscopic Identification of Anions and Cations at the Ionic Liquid|Ag(111) Interface: A Combined Experimental and Theoretical Investigation

scientific article published on 19 August 2013

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

scientific article published on 31 October 2019

Water adsorption on bimetallic PtRu/Pt(111) surface alloys.

artículo científico publicado en 2016

Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions

scientific article published on 24 January 2020

Lista de obras de Axel Gross

A highly ordered, aromatic bidentate self-assembled monolayer on Au(111): a combined experimental and theoretical study

A molecular double decker: extending the limits of current metal-molecule hybrid structures

Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2Pt(111)

Ab initio molecular dynamics simulations of the adsorption of H2 on palladium surfaces.

Ab initio molecular dynamics study of hot atom dynamics after dissociative adsorption of H2 on Pd(100)

Adsorption dynamics of H2 on Pd(100) from first principles.

Adsorption of Ultrathin Ethylene Carbonate Films on Pristine and Lithiated Graphite and Their Interaction with Li

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects.

Adsorption of supramolecular building blocks on graphite: a force field and density functional theory study

Bottom-up formation of robust gold carbide

CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects

Coexistence of Atomic and Molecular Chemisorption States:H2/Pd(210)

Concentration and Coverage Dependent Adlayer Structures: From Two-Dimensional Networks to Rotation in a Bearing

Coverage effects in the adsorption of H2 on Pd(100) studied by ab initio molecular dynamics simulations ⬇️

Density fluctuations as door-opener for diffusion on crowded surfaces

Design and Tuning of the Electrochemical Properties of Vanadium-Based Cation-Disordered Rock-Salt Oxide Positive Electrode Material for Lithium-Ion Batteries

Design of Nickel-Based Cation-Disordered Rock-Salt Oxides: The Effect of Transition Metal (M = V, Ti, Zr) Substitution in LiNi0.5M0.5O2 Binary Systems

Dispersive interactions in water bilayers at metallic surfaces: a comparison of the PBE and RPBE functional including semiempirical dispersion corrections

Energetics driving the short-range order in CuxPd1-x/Ru(0001) monolayer surface alloys

Experimental analysis of charge redistribution due to chemical bonding by high-resolution transmission electron microscopy

Fundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale

General discussion

General discussion

Gross and Scheffler Reply

Hierarchical interactions and their influence upon the adsorption of organic molecules on a graphene film

Hierarchically Self-Assembled Host–Guest Network at the Solid–Liquid Interface for Single-Molecule Manipulation

High-dimensional quantum dynamical study of the dissociation of H2 on Pd110

High-dimensional quantum dynamics of adsorption and desorption of H2 at Cu(111)

Hydrogen dissociation dynamics on precovered Pd surfaces: Langmuir is still right

Improved DFT Adsorption Energies with Semiempirical Dispersion Corrections

Influence of electric fields on metal self-diffusion barriers and its consequences on dendrite growth in batteries

Influence of water on elementary reaction steps in electrocatalysis

Interaction of a Self-Assembled Ionic Liquid Layer with Graphite(0001): A Combined Experimental and Theoretical Study

Kinetic Monte Carlo simulations of the interaction of oxygen with Pt(111).

Lowering energy barriers in surface reactions through concerted reaction mechanisms

Monodisperse microisland formation on Ni/Ru(0001) monolayers

Oxidation of an organic adlayer: a bird's eye view.

Quantum electron transport through ultrathin Si films: effects of interface passivation on Fermi-level pinning

Quantum theory of dissociative chemisorption on metal surfaces

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study

Reduced Pd density of states in Pd/SAM/Au junctions: the role of adsorbed hydrogen atoms.

Semiconductor-metal transition induced by nanoscale stabilization

Six-dimensional quantum dynamics of adsorption and desorption of H2 at Pd(100): Steering and steric effects

Spiral adsorbate structures on monoatomic nanowire electrodes

Structure and local reactivity of PdAg/Pd(111) surface alloys ⬇️

Surface configuration and wettability of nickel(oxy)hydroxides: a first-principles investigation.

Surface strain versus substrate interaction in heteroepitaxial metal layers: Pt on Ru(0001)

The Dynamic Nature of CO Adlayers on Pt(111) Electrodes

The electric double layer at metal-water interfaces revisited based on a charge polarization scheme

The role of surface defects in large organic molecule adsorption: substrate configuration effects

Theoretical investigation of the interaction of CH(4) with Al(2) and Al(3) neutral and charged clusters

Theoretical study of the O₂ interaction with a tetrahedral Al₄ cluster.

Total oxidation of methanol on Cu(110): a density functional theory study

Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics

Toward the Microscopic Identification of Anions and Cations at the Ionic Liquid|Ag(111) Interface: A Combined Experimental and Theoretical Investigation

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

Water adsorption on bimetallic PtRu/Pt(111) surface alloys.

Water structures on a Pt(111) electrode from ab initio molecular dynamic simulations for a variety of electrochemical conditions