VÉLEZ, PATRICIO; LUQUE, GUILLERMINA L.; BARRACO, DANIEL E.; FRANCO, ALEJANDRO A.; LEIVA, EZEQUIEL P.M.

Pore size distribution of carbon black: An approach from a coarse-grained potential

COMPUTACIONAL MATERIALS SCIENCE; Año: 2022 vol. 209

VÉLEZ, PATRICIO; ROJAS, MARÍA DEL CARMEN; VELASCO, JUAN; PARA, MARÍA LAURA; BARRACO, DANIEL; LEIVA, EZEQUIEL P.M.; LUQUE, GUILLERMINA L.

On the role of oxidized graphene interfaces in lithium sulfur batteries: Thermodynamic and kinetic aspects using density functional theory

APPLIED SURFACE SCIENCE; Año: 2021 vol. 550

VELASCO, JUAN J; VÉLEZ, PATRICIO; ZOLOFF MICHOFF, MARTIN E; VISINTÍN, ARNALDO; VERSACI, DANIELE; BODOARDO, SILVIA; LUQUE, GUILLERMINA L; LEIVA, EZEQUIEL P M

Role of the solvent in the activation of Li2S as cathode material: A DFT study

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2021 vol. 33

VÉLEZ, PATRICIO; PARA, M. LAURA; LUQUE, GUILLERMINA L.; BARRACO, DANIEL; LEIVA, EZEQUIEL P.M.

Modeling of substitutionally modified graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries

ELECTROCHIMICA ACTA; Año: 2019 vol. 309 p. 402 - 414

G. LENER; P. VÉLEZ; E. P. M. LEIVA; L. MOYANO; R. CARBONIO

Chemical adsorption of phenacyl-1,2,3-benzotriazole over AMoO4 (0 1 0) scheelite surfaces. Structure and electronic properties

Computational and Theoretical Chemistry; Año: 2016 vol. 1090 p. 120 - 128

EUTI, ESTEBAN M.; VÉLEZ-ROMERO, PATRICIO; LEIVA, EZEQUIEL P. M.; MACAGNO, VICENTE A.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, E. MARTÍN; COMETTO, FERNANDO P.

The Role of Tris(2-carboxyethyl)phosphine Reducing Agent in the Controlled Formation of α,ω-Alkanedithiols Monolayers on Au(111) with Monocoordinated and Bicoordinated Configurations

LANGMUIR; Año: 2016 vol. 32 p. 9428 - 9436

CHRISTOPHER WILDI; GEMA CABELLO; MARTÍN E. ZOLOFF MICHOFF; PATRICIO VÉLEZ; EZEQUIEL P. M. LEIVA; JUAN JOSÉ CALVENTE; RAFAEL ANDREU; ANGEL CUESTA

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

Lugar: Washington; Año: 2015

E.M. EUTI; P. VÉLEZ; O. LINAREZ PÉREZ; G.RUANO; E.M.PATRITO; G.ZAMPIER; E.P.M. LEIVA; V.A. MACAGNO; F.P.COMETTO

Electrochemical, HR-XPS and SERS study of the self-assembly of biphenyl 4, 4'-dithiol on Au(111) from solution phase

Lugar: Amsterdam; Año: 2014 vol. 630 p. 101 - 108

O.A. OVIEDO; P. VÉLEZ; V.A.MACAGNO; E.P.M. LEIVA

Underpotential deposition: From planar surfaces to nanoparticles

Lugar: Amsterdam; Año: 2014 vol. 631 p. 23 - 34

VÉLEZ, P.; CUESTA, A.; LEIVA, E.P.M.; MACAGNO, V.A.

The underpotential deposition that should not be: Cu(1 × 1) on Au(111)

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 57

LUQUE, N.B.; VÉLEZ, P.; PÖTTING, K.; SANTOS, E.

Ab initio studies of the electronic structure of l-cysteine adsorbed on Ag(111)

Lugar: Washington; Año: 2012 vol. 28 p. 8084 - 8099

P. VÉLEZ; S. A. DASSIE; E. P. M. LEIVA

A kinetic model for the long term stability of contaminated monoatomic nanowires

Año: 2010 vol. 81 p. 125440 - 125452

P. VÉLEZ; S. A. DASSIE; E. P. M. LEIVA

Role of metal contacts in the mechanical properties of molecular nanojunctions: Comparative ab initio study of Au/1,8-octanedithiol and Au/4,4-bipyridine

Año: 2010 vol. 81 p. 235435 - 235447

ZOLOFF MICHOFF; P. VÉLEZ; E. P. M. LEIVA

Substituent effect on the mechanical properties of Au-N nanojunctions

Año: 2008 vol. 113 p. 3850 - 3854

P. VÉLEZ; S.A. DASSIE; E.P.M. LEIVA

When do nanowires break? A model for the theoretical study of the long-term

Año: 2008 vol. 460 p. 261 - 265

E. SANTOS; L. AVALLE; K. POTTING; P. VÉLEZ; H. JONES

Experimental and theoretical studies of l-cysteine adsorbed at Ag(1 1 1) electrodes

Año: 2007 vol. 53 p. 6807 - 6817

E. P. M. LEIVA; CRISTIÁN G. SÁNCHEZ; P. VÉLEZ; W. SCHMICKLER

Theory of electrochemical monoatomic nanowires

Año: 2006 vol. 74 p. 35422 - 35429

PATRICIO VÉLEZ; SERGIO A. DASSIE; EZEQUIEL P. M. LEIVA

First Principles Calculations of Mechanical Properties of 4,4’- Bipyridine Attached to Au nanowires

Año: 2005 vol. 95 p. 45503 - 45507