GUTIÉRREZ, JULIÁN; ROBEIN, YAEL N.; JUAN, JULIÁN; DI NEZIO, MARÍA S.; PISTONESI, CAROLINA; GONZÁLEZ, ESTELA A.; SANTOS, RODRIGO; PISTONESI, MARCELO F.

A combined experimental and DFT study on the zero valent iron/reduced graphene oxide doped QCM sensor for determination of trace concentrations of As using a Flow-batch system

SENSORS AND ACTUATORS B-CHEMICAL; Año: 2024 vol. 404

JUAN, JULIÁN; FERNÁNDEZ-WERNER, LUCIANA; BECHTHOLD, PABLO; JASEN, PAULA V.; FACCIO, RICARDO; GONZÁLEZ, ESTELA A.

Li intercalation, electronic and thermodynamic properties in H2Ti3O7 bulk: A theoretical study

COMPUTACIONAL MATERIALS SCIENCE; Año: 2023 vol. 228

JIMÉNEZ, M.J.; LISSARRAGUE, M. SOSA; BECHTHOLD, P.; GONZÁLEZ, E.A.; JASEN, P.V.; JUAN, A.

Ethanol adsorption on Ni doped Mo2C(001): a theoretical study

TOPICS IN CATALYSIS; Año: 2022

JUAN, JULIÁN; FERNÁNDEZ-WERNER, LUCIANA; BECHTHOLD, PABLO; VILLARREAL, JULIÁN; GAZTAÑAGA, FRANCISCO; JASEN, PAULA V; FACCIO, RICARDO; GONZÁLEZ, ESTELA A

Charged lithium adsorption on pristine and defective silicene: a theoretical study

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2022 vol. 34

VINÍCIUS DE LIMA, CAIO; JUAN, JULIAN; FACCIO, RICARDO; GONZÁLEZ, ESTELA A.; PISTONESI, CAROLINA; PISTONESI, MARCELO F.; REBOUÇAS, JULIO S.

Arsenic Adsorption on Nanoscale Zerovalent Iron Immobilized on Reduced Graphene Oxide (nZVI/rGO): Experimental and Theoretical Approaches

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2022 vol. 126 p. 19916 - 19925

HOUACHE, MOHAMED S.E.; SHUBAIR, ASMA; SANDOVAL, MARIO G.; SAFARI, REZA; BOTTON, GIANLUIGI A.; JASEN, PAULA V.; GONZALEZ, ESTELA A.; BARANOVA, ELENA A.

Influence of Pd and Au on electrochemical valorization of glycerol over Ni-rich surfaces

JOURNAL OF CATALYSIS; Año: 2021 vol. 396 p. 1 - 13

JUAN, J.; FERNÁNDEZ-WERNER, L.; BECHTHOLD, P.; JIMÉNEZ, M.J.; JASEN, P.V.; FACCIO, R.; GONZALEZ, E.A.

Thermodynamic functions and vibrational properties of Li intercalation in TiO2(B)

APPLIED SURFACE SCIENCE; Año: 2021 vol. 566

HOUACHE, MOHAMED S.E.; SANDOVAL, MARIO G.; SAFARI, REZA; GAZTAÑAGA, FRANCISCO; ESCUDERO, FEDERICO; HERNÁNDEZ-LAGUNA, ALFONSO; SAINZ-DÍAZ, CLARO IGNACIO; BOTTON, GIANLUIGI A.; JASEN, PAULA V.; GONZÁLEZ, ESTELA A.; JUAN, ALFREDO; BARANOVA, ELENA A.

Morphology alteration of nickel microstructures for glycerol electrooxidation

JOURNAL OF CATALYSIS; Año: 2021 vol. 404 p. 348 - 361

ORAZI, V.; JUAN, A.; GONZÁLEZ, E.A.; MARCHETTI, JORGE M.; JASEN, P.V.

DFT study of ethanol adsorption on CaO(0 0 1) surface

APPLIED SURFACE SCIENCE; Año: 2020 vol. 500

JUAN, JULIÁN; FERNÁNDEZ-WERNER, LUCIANA; JASEN, PAULA V.; BECHTHOLD, PABLO; FACCIO, RICARDO; GONZÁLEZ, ESTELA A.

Theoretical study of Li intercalation in TiO2(B) surfaces

APPLIED SURFACE SCIENCE; Año: 2020 vol. 526

JUAN, J.; ORAZI, V.; SANDOVAL, M.; BECHTHOLD, P.; HERNÁNDEZ-LAGUNA, A.; SAINZ-DÍAZ, C.I.; GONZÁLEZ, E.A.; JENKO, M.; JASEN, P.V.

DFT study of Ni segregation at the B2-NiTi(110)/rutile-TiO2(110) interface

APPLIED SURFACE SCIENCE; Año: 2019 vol. 489 p. 287 - 296

FERNÁNDEZ-WERNER, LUCIANA; GONZÁLEZ, ESTELA A.; FACCIO, RICARDO; MOMBRÚ, ÁLVARO W.

TiO2(B) and Anatase Angstrom-Scale Wires: A Theoretical Study

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2018 vol. 122 p. 3363 - 3370

SANDOVAL, M.; BECHTHOLD, P.; ORAZI, V.; GONZÁLEZ, E.A.; JUAN, A.; JASEN, P.V.

The role of Ga in the acetylene adsorption on PdGa intermetallic

APPLIED SURFACE SCIENCE; Año: 2018 vol. 435 p. 568 - 573

GAZTAÑAGA, FRANCISCO; LUNA, C. ROMINA; ORAZI, VALERIA; GONZÁLEZ, ESTELA; FACCIO, RICARDO; JASEN, PAULA

Effects of Native Vacancies on Nb-Doped MgH 2 Using Density Functional Theory Calculations

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2018 vol. 122 p. 27955 - 27962

GONZÁLEZ FÁ, ALEJANDRO J.; ORAZI, VALERIA; GONZÁLEZ, ESTELA A.; JUAN, ALFREDO; LÓPEZ-CORRAL, IGNACIO

DFT study of β-D-glucose adsorption on single-walled carbon nanotubes decorated with platinum. A bonding analysis

APPLIED SURFACE SCIENCE; Año: 2017 vol. 423 p. 542 - 548

ORAZI, V.; BECHTHOLD, P.; JASEN, P.V.; FACCIO, R.; PRONSATO, M.E.; GONZÁLEZ, E.A.

DFT study of methanol adsorption on PtCo(111)

APPLIED SURFACE SCIENCE; Año: 2017 vol. 420 p. 383 - 389

J.S. ARDENGHI; P. BECHTHOLD; P. JASEN; E. GONZALEZ; A. JUAN

Electronic properties of Cantor random box distribution of impurities in graphene

SUPERLATTICES AND MICROSTRUCTURES; Lugar: Amsterdam; Año: 2016 vol. 8 p. 398 - 408

V CARDOSO SCHWINDT; J.S. ARDENGHI; P. BECHTHOLD; A. JUAN; B. SETINA BATIC; M. JENKO; E.A. GONZALEZ; P.V. JASEN

Electronic Structure and soft magnetic properties of Se/FeSiAl (110) films

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 354 p. 401 - 407

V. CARDOSO SCHWINDT; M. SANDOVAL; J.S. ARDENGHI; P. BECHTHOLD; E.A. GONZALEZ; P.V. JASEN

Electronic structure and magnetism on FeSiAl alloy: A DFT study

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS; Lugar: Amsterdam; Año: 2015 vol. 389 p. 73 - 76

P. BECHTHOLD; M. SANDOVAL; E. A. GONZALEZ; G. BRIZUELA; A. BONIVARDI; P. V. JASEN

The electronic structure and bonding of Acetylene on PdGa(110)

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 18229 - 18238

J.S. ARDENGHI; P. BECHTHOLD; E. A. GONZALEZ; P. V. JASEN; A. JUAN

Valley properties of doped graphene in a magnetic field

EUROPEAN PHYSICAL JOURNAL B - CONDENSED MATTER; Lugar: Berlin; Año: 2015 vol. 88 p. 1 - 9

V. VERDINELLI; E. GERMÁN; P.V. JASEN; E.A. GONZÁLEZ; J.M. MARCHETTI

THE INFLUENCE OF PRE-ADSORBED Pt ON HYDROGEN ADSORPTION ON B2 FeTi(111)

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2014 vol. 39 p. 8621 - 8630

P. BECHTHOLD; J.S. ARDENGHI; O. NAGEL; A. JUAN; E.A. GONZÁLEZ; P.V. JASEN

Hydrogen Adsorption on PdGa(100), (111) and (-1-1-1) Surfaces: A DFT Study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Londres; Año: 2014 vol. 39 p. 2093 - 2103

J.S. ARDENGHI; P. BECHTHOLD; E. A. GONZALEZ; P.V. JASEN; A. JUAN

Ballistic transport properties in pristine/doped/pristine graphene junctions

SUPERLATTICES AND MICROSTRUCTURES; Lugar: Amsterdam; Año: 2014 vol. 72 p. 325 - 355

V. ORAZI; J.S. ARDENGHI; P. BECHTHOLD; P.V. JASEN; M.E. PRONSATO; E.A. GONZÁLEZ

DFT study of benzene and CO co-adsorption on PtCo(111)

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 289 p. 502 - 510

P. BECHTHOLD; J.S. ARDENGHI; A. JUAN; E.A. GONZÁLEZ; P.V. JASEN

CO Adsorption on PdGa(100), (111) and (-1-1-1) Surfaces: A DFT Study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 315 p. 467 - 474

J.S. ARDENGHI; P. BECHTHOLD; E.A. GONZÁLEZ; P.V. JASEN; A. JUAN

Statistical repulsion/attraction of electrons in graphene in a magnetic field

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2014 vol. 433 p. 28 - 36

J.S. ARDENGHI; P. BECHTHOLD; P.V. JASEN; E.A. GONZÁLEZ; A. JUAN

Dynamical diffusion and renormalization group equation for the Fermi velocity in doped graphene

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2014 vol. 452 p. 92 - 101

V CARDOSO SCHWINDT; J.S. ARDENGHI; P. BECHTHOLD; E.A. GONZÁLEZ; P.V. JASEN; A. JUAN; B. SETINA BATIC; M. JENKO

Selenium adsorption at different coverages on Fe(100) and Fe(111): A DFT study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 315 p. 252 - 260

P. BECHTHOLD; J.S. ARDENGHI; V. CARDOSO SCHWINDT; E.A. GONZÁLEZ; P.V. JASEN; V. ORAZI; M.E. PRONSATO; A. JUAN

Benzene adsorption on PtCo(111): A DFT Study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2013 vol. 282 p. 17 - 24

P. BECHTHOLD; P.V. JASEN; J.S. ARDENGHI; E.A. GONZÁLEZ; A. JUAN

Ab-initio study of CO adsorption on PdGa(110)

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2013 vol. 71 p. 192 - 196

J.S. ARDENGHI; P. BECHTHOLD; P. V. JASEN; E. A. GONZALEZ; O. NAGEL

Landau level transitions in doped graphene in a time dependent magnetic field

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2013 vol. 427 p. 97 - 105

E. GONZÁLEZ; P. JASEN; J.M. MARCHETTI; G. BRIZUELA; A. JUAN

Density functional and bonding study of hydrogen and platinum adsorption on B2-FeTi (111) slab

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Londres; Año: 2012 vol. 37 p. 2661 - 2668

P. BECHTHOLD; P. JASEN; E. GONZÁLEZ; A. JUAN

Hydrogen Adsorption on PdGa(110): A DFT Study

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2012 vol. 116 p. 17518 - 17524

E. A. GONZALEZ; P. V. JASEN; M. SANDOVAL; P. BECHTHOLD; A. JUAN; B. SETINA BATIC; MONIKA JENKO

Density functional theory study of Selenium adsorption on Fe(110)

APPLIED SURFACE SCIENCE; Año: 2011 vol. 257 p. 6878 - 6883

M.G. GANCHENKOVA; V.A. BORODIN; S. YU. BINYUKOVA; E.A. GONZÁLEZ; P. V. JASEN; A. JUAN

Advanced materials for hydrogen storage based on iron-palladium intermetallic alloys

Inorganic Materials: Applied Research; Año: 2011 vol. 2 p. 172 - 175

J.M. MARCHETTI; E. A. GONZALEZ; P. V. JASEN; G. BRIZUELA; A. JUAN

Interaction of Hydrogen and Platinum over a B2FeTi (110) Slab

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2011 vol. 36 p. 9037 - 9044

PAULA JASEN; ESTELA GONZALEZ; GRACIELA BRIZUELA; ALFREDO JUAN

A bonding study of CO-benzene co-adsorption on Rh(111)

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Año: 2010 vol. 323 p. 23 - 27

S. ARDENGHI; E. GONZÁLEZ; P. JASEN; A. JUAN

A theoretical study of interstitial hydrogen effect on the electronic structure of the FePd alloy with a vacancy

PHYSICA SCRIPTA; Año: 2009 vol. 79 p. 457021 - 457025

E. GONZÁLEZ; P. JASEN; G. GONZÁLEZ; L. MORO; A. JUAN

Hydrogen and carbon interaction in a FeNi alloy with a vacancy

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Año: 2009 vol. 246 p. 1275 - 1285

E. A. GONZALEZ; P. V. JASEN; C. R. LUNA; P. BECHTHOLD; A. JUAN; G. BRIZUELA

The changes in the electronic structure of B2 FeAl alloy with a Fe antisite and absorbed hydrogen

PHYSICA B - CONDENSED MATTER; Año: 2009 vol. 404 p. 4216 - 4220

E. A. GONZALEZ; P. V. JASEN; J. PIERINI; G. BRIZUELA; A. JUAN

The co-adsorption of benzene and CO on Co(0001)

SURFACE REVIEW AND LETTERS; Año: 2009 vol. 16 p. 749 - 755

P. V. JASEN; E. A. GONZALEZ; C. R. LUNA; G. BRIZUELA; A. JUAN

The hydrogen effect in the electronic structure and bonding of the B2 FeAl alloy with a Fe vacancy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2009 vol. 34 p. 9591 - 9595

J.M. MARCHETTI; E. GONZÁLEZ; P. JASEN; G. BRIZUELA; A. JUAN

Hydrogen adsorption and diffusion on a Pt (111) cluster

SURFACE REVIEW AND LETTERS; Año: 2008 vol. 15 p. 319 - 327

P. JASEN; E. GONZÁLEZ; G. GONZÁLEZ; L. MORO; A. JUAN

The effect of carbon interaction on the electronic structure of FeNi alloy with stacking fault

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Año: 2008 vol. 245 p. 2771 - 2778

PAULA V. JASEN; ESTELA A. GONZÁLEZ; GRACIELA BRIZUELA; OSCAR A. NAGEL; GUSTAVO A. GONZÁLEZ; ALFREDO JUAN

A THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE AND BONDING OF THE MONOCLINIC PHASE OF Mg2NiH4

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2007 vol. 32 p. 4943 - 4948

ESTELA GONZALEZ; PAULA JASEN; GRACIELA BRIZUELA; RISTO NIEMINEN; ALFREDO JUAN

THE EFFECT OF INTERSTITIAL HYDROGEN ON THE ELECTRONIC STRUCTURE OF THE B2 FeAl ALLOY

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Año: 2007 vol. 244 p. 3684 - 3694

ESTELA A. GONZALEZ; PAULA V. JASEN; CARLA R. LUNA; ALFREDO JUAN

ADSORPTION OF HYDROGEN ON beta-Ga2O3(100): A THEORETICAL STUDY

SURFACE REVIEW AND LETTERS; Año: 2007 p. 79 - 86

PAULA VERÓNICA JASEN; ESTELA ANDREA GONZALEZ; ALFREDO JUAN; GRACIELA BRIZUELA

Benezene and NO on a Ru(001) surface: electronic structure and bonding

APPLIED SURFACE SCIENCE; Año: 2006 vol. 252 p. 2108 - 2114

SANDRA SIMONETTI; PAULA V. JASEN; ESTELA A. GONZALEZ; ALFREDO JUAN; GRACIELA BRIZUELA

A Bonding Study of c-C5H8 adsorption on Pt(111)

APPLIED SURFACE SCIENCE; Año: 2006 vol. 252 p. 7515 - 7522

ESTELA ANDREA GONZALEZ; PAULA VERÓNICA, JASEN; CASTELLANI NORBERTO,; JUAN ALFREDO,

A theoretical study of H absorption at a Fe(110)-Pd(100) Interface and Fe-Pd alloys

JOURNAL OF MATERIALS SCIENCE; Año: 2005 vol. 40 p. 2775 - 2782

ESTELA ANDREA GONZALEZ; PAULA V, JASEN; CASTELLANI NORBERTO,; JUAN ALFREDO,

Theoretical Study of Hydrogen Adsorption on FePd fcc Alloy Surfaces

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 71 p. 14 - 24

ESTELA ANDREA GONZALEZ; PAULA VERÓNICA, JASEN; JUAN ALFREDO,; COLLINS SEBASTIAN,; BONIVARDI ADRIAN,; MIGUEL A, BALTANÁS

Hydrogen Adsorption on beta-Ga2O3(100) Surface Containing Oxygen Vacancies

SURFACE SCIENCE; Año: 2005 vol. 575 p. 171 - 180

ESTELA ANDREA GONZALEZ; SIMONETTI SANDRA,; MORO LILIÁN,; BRIZUELA GRACIELA,; JUAN ALFREDO,

Quantum Chemical Study of C & H Location in an FCC Stacking Fault

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2004 vol. 29 p. 649 - 658

ESTELA ANDREA GONZALEZ; PAULA VERÓNICA, JASEN; NORBERTO J. CASTELLANI; ALFREDO JUAN

The Adsorption of Hydrogen on Face Centered Tetragonal FePd Surfaces

SOLID STATE COMMUNICATIONS; Año: 2004 vol. 131 p. 81 - 85

ESTELA ANDREA GONZALEZ; PAULA VERÓNICA, JASEN; BRIZUELA GRACIELA,; PADÍN ZULMA,; JUAN ALFREDO,

Benzene and carbon monoxide co-adsorption on Pt(111). A theoretical study

APPLIED SURFACE SCIENCE; Año: 2004 vol. 234 p. 439 - 451

ESTELA ANDREA GONZALEZ; PAULA VERÓNICA, JASEN; CASTELLANI NORBERTO,; JUAN ALFREDO,

The Effect of Interstitial Hydrogen on the Electronic Structure of Fe-Pd alloys

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2004 vol. 65 p. 2050 - 2062

ESTELA ANDREA GONZALEZ; JASEN, PAULA VERÓNICA; NAGEL OSCAR,; JUAN ALFREDO,

The Effect of H on the Electronic Structure of a Fe(110)-Pd(100) interface

SURFACE REVIEW AND LETTERS; Año: 2003 vol. 10 p. 879 - 888

ESTELA ANDREA GONZALEZ; PISTONESI CAROLINA,; BRIZUELA GRACIELA,; JUAN ALFREDO,

A Theoretical Study of a H-H Pair on BCC Fe (100) Surface

SURFACE REVIEW AND LETTERS; Año: 2003 vol. 10 p. 661 - 668