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List of works by Francesc Viñes

A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

scientific article published on 01 May 2005

Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides

scientific article published in June 2009

Adsorption and reaction of SO2 on clean and oxygen precovered Pd(100)—a combined HR-XPS and DF study

scientific article published on 08 August 2011

Adsorption of gold on TiC(001): Au–C interactions and charge polarization

scientific article published on 01 December 2007

Artificial-intelligence-driven discovery of catalyst genes with application to CO<sub>2</sub> activation on semiconductor oxides

scientific article published on 20 January 2022

Assessing GW Approaches for Predicting Core Level Binding Energies

scientific article published on 10 January 2018

Assessing the usefulness of transition metal carbides for hydrogenation reactions

scientific article published on 08 October 2019

Bandgap engineering by cationic disorder: case study on AgBiS2.

scientific article published on 16 October 2017

Bandgap engineering of graphene by physisorbed adsorbates

scientific article published on 12 April 2011

Boosting the activity of transition metal carbides towards methane activation by nanostructuring

scientific article published on 01 April 2020

Bulk (in)stability as a possible source of surface reconstruction

scientific article published on 20 August 2020

Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals

scientific article

Carbon on platinum substrates: from carbidic to graphitic phases on the (111) surface and on nanoparticles

scientific article published on 01 October 2009

Charge Polarization at a Au-TiC Interface and the Generation of Highly Active and Selective Catalysts for the Low-Temperature Water-Gas Shift Reaction

scholarly article by José A. Rodriguez et al published 4 September 2014 in Angewandte Chemie International Edition

Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

scientific article

Cover Image

scientific article published on 21 October 2020

Density Functional Calculations of Pd Nanoparticles Using a Plane-Wave Method†

scientific article published on 06 June 2008

Dissociation of SO2on Au/TiC(001): Effects of Au-C Interactions and Charge Polarization

scholarly article by José A. Rodriguez et al published 18 August 2008 in Angewandte Chemie International Edition

Double-well potential energy surface in the interaction between h-BN and Ni(111)

scientific article published on 01 May 2019

Effect of the Exchange-Correlation Potential on the Transferability of Brønsted-Evans-Polanyi Relationships in Heterogeneous Catalysis

scientific article published on 25 April 2016

Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree–Fock exchange

scientific article published on 01 April 2015

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals.

scientific article published on March 2013

Formation of one-dimensional electronic states along the step edges of CeO₂(111).

scientific article published on 6 January 2012

Generalized gradient approximation adjusted to transition metals properties: Key roles of exchange and local spin density

scientific article published on 09 September 2020

Graphene on Ni(111): Coexistence of Different Surface Structures

article

Growth and electronic structure of nitrogen-doped graphene on Ni(111)

scholarly article in Physical Review B, vol. 86 no. 7, August 2012

Hydrogen storage on metal oxide model clusters using density-functional methods and reliable van der Waals corrections

scientific article published in March 2014

Implicit solvent effects in the determination of Brønsted-Evans-Polanyi relationships for heterogeneously catalyzed reactions

scientific article published on 31 July 2019

Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties

scientific article published on 28 November 2017

Kinetics of the sulfur oxidation on palladium: a combined in situ x-ray photoelectron spectroscopy and density-functional study

scientific article published on 01 March 2012

Methane Activation by Platinum: Critical Role of Edge and Corner Sites of Metal Nanoparticles

scientific article published on 01 June 2010

Microscopic origin ofn-type behavior in Si-doped AlN

scholarly article in Physical Review B, vol. 88 no. 8, August 2013

On the H2 interactions with transition metal adatoms supported on graphene: a systematic density functional study

scientific article published on 19 January 2018

On the Mechanism of Formation of Metal Nanowires by Self-Assembly

scientific article published on 01 January 2007

On the prediction of core level binding energies in molecules, surfaces and solids.

scientific article

Performance of the TPSS Functional on Predicting Core Level Binding Energies of Main Group Elements Containing Molecules: A Good Choice for Molecules Adsorbed on Metal Surfaces

scientific article published on 22 December 2015

Predicting core level binding energies shifts: Suitability of the projector augmented wave approach as implemented in VASP.

scientific article published on 4 January 2017

Robustness of surface activity electronic structure-based descriptors of transition metals

scientific article published on 01 August 2018

Role of Kinetics in the Selective Surface Oxidations of Transition Metal Carbides

scientific article published on 01 August 2006

Room Temperature Methane Capture and Activation by Ni Clusters Supported on TiC(001): Effects of Metal-Carbide Interactions on the Cleavage of the C-H Bond

scientific article published on 18 March 2019

Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk.

scientific article

Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces

scientific article published on 01 September 2015

Subsurface Carbon: A General Feature of Noble Metals

scientific article published on 04 January 2019

Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications

scientific article published on 22 September 2020

Template-assisted formation of fullerenes from short-chain hydrocarbons by supported platinum nanoparticles

scientific article published on 14 April 2011

The bending machine: CO2 activation and hydrogenation on δ-MoC(001) and β-Mo2C(001) surfaces.

scientific article published in July 2014

The interaction of CO2 with sodium-promoted W(011)

scientific article published on 15 September 2005

Theoretical assessment of graphene-metal contacts.

scientific article

Thickness biased capture of CO2 on carbide MXenes

scientific article published on 01 October 2019

Transition metal adatoms on graphene: A systematic density functional study

scholarly article in Carbon, vol. 95, December 2015

Tuning the surface chemistry of Pd by atomic C and H: a microscopic picture

scientific article published on 23 November 2012

Two-dimensional nitrides as highly efficient potential candidates for CO2 capture and activation

scientific article published on 01 June 2018

Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis.

scientific article published in July 2014

Vacancy patterning and patterning vacancies: controlled self-assembly of fullerenes on metal surfaces

ZnO powders as multi-facet single crystals

scientific article published on 11 April 2017

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