BECHTHOLD, P.; JUAN J; JUAN, A.; MARCHETTI, J.M.

The adsorption of ethyl formate on CaO: A DFT study

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2024 vol. 185

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; Lugar: Amsterdam; Año: 2023 vol. 228

BECHTHOLD, P.; ORAZI, V.; JUAN, A.; MARCHETTI, J.M.

A first-principles study of formic acid adsorption on CaO (001)

APPLIED SURFACE SCIENCE; Año: 2022 vol. 583 p. 152296 - 152305

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

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 vol. 65 p. 839 - 847

ESTEVES, MARTÍN; FERNÁNDEZ-WERNER, LUCIANA; BECHTHOLD, PABLO; FACCIO, RICARDO; MOMBRÚ, ÁLVARO W.

Hydrogen Titanate H2TiO3 Nanowires Derived from K2TiO3 as Potential Materials for Solar Cell Applications: A Theoretical Study

ChemistrySelect; Año: 2022 vol. 7

JUAN, JULIÁN; FERNÁNDEZ-WERNER, LUCIANA; BECHTHOLD, PABLO; JIMENEZ, MARÍA JULIA; JASEN, PAULA; FACCIO, RICARDO; GONZALEZ, ESTELA

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

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2021 vol. 566

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 p. 146460 - 146470

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; Lugar: Amsterdam; Año: 2019 vol. 489 p. 287 - 296

LUNA, C.R.; BECHTHOLD, P.; BRIZUELA, G.; JUAN, A.; PISTONESI, C.

The Adsorption of CO, O2 and H2 on Li-Doped Defective (8,0) SWCNT: a DFT Study

APPLIED SURFACE SCIENCE; Año: 2018 vol. 459 p. 201 - 207

ROBINA, A.; BECHTHOLD, P.; JUAN, A.; PISTONESI, C.; PRONSATO, M.E.

Hydrogen storage in Zr0.9Ti0.1(Ni0.5Cr0.5-xVx)2 Laves phase, with x = 0, 0.125, 0.25, 0.375, 0.5. A theoretical approach

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2018 vol. 43 p. 16085 - 16091

AMBRUSI, RUBEN E.; LUNA, C. ROMINA; SANDOVAL, MARIO G.; BECHTHOLD, PABLO; PRONSATO, M. ESTELA; JUAN, ALFREDO

Rhodium clustering process on defective (8,0) SWCNT: Analysis of chemical and physical properties using density functional theory

APPLIED SURFACE SCIENCE; Año: 2017 vol. 425 p. 823 - 832

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: 2017 vol. 435 p. 568 - 573

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; JASEN, PAULA; GONZALEZ, ESTELA; JUAN, ALFREDO

Electronic properties of Cantor random box distribution of impurities in graphene

SUPERLATTICES AND MICROSTRUCTURES; Lugar: Amsterdam; Año: 2016 vol. 89 p. 398 - 408

BECHTHOLD, PABLO; SANDOVAL, MARIO; GONZALEZ, ESTELA; BRIZUELA, GRACIELA; BONIVARDI, ADRIAN; JASEN, PAULA

The Electronic Structure and Bonding of Acetylene on PdGa(110)

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; GONZALEZ, ESTELA; JASEN, PAULA; JUAN, ALFREDO

Valley properties of doped graphene in a magnetic field

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

CARDOSO SCHWINDT, VIRGINIA; SANDOVAL, MARIO; ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; E. GONZÁLEZ; JASEN, PAULA

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

BECHTHOLD, PABLO; PRONSATO, ESTELA; PISTONESI, CAROLINA

DFT study of CO adsorption on Pd-SnO2(110) surfaces

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 347 p. 291 - 298

CARDOSO SCHWINDT, VIRGINIA; ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; A. JUAN; BARBARA SETINA BATIC; MONIKA JENKO; GONZALEZ, ESTELA; JASEN, PAULA

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

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; GONZALEZ, ESTELA; JASEN, PAULA; JUAN, ALFREDO

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

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; GONZALEZ, ESTELA; JASEN, PAULA; JUAN, ALFREDO

Ballistic transport properties in pristine/doped/pristine graphene junctions

SUPERLATTICES AND MICROSTRUCTURES; Lugar: Amsterdam; Año: 2014 vol. 72 p. 325 - 335

BECHTHOLD, PABLO; ARDENGHI, SEBASTIAN; NAGEL, OSCAR; JUAN, ALFREDO; GONZALEZ, ESTELA; JASEN, PAULA

Hydrogen adsorption on PdGa (100),(111) and surfaces: A DFT study

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

ORAZI, VALERIA; ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; JASEN, PAULA; PRONSATO, ESTELA; GONZALEZ, ESTELA

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

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; JASEN, PAULA; GONZALEZ, ESTELA; JUAN, ALFREDO

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

CARDOSO SCHWINDT, VIRGINIA; ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; GONZALEZ, ESTELA; JASEN, PAULA; JUAN, ALFREDO; BARBARA SETINA BATIC; JENKO MONIKA

Selenium adsorption at different coverages on Fe(1 0 0) and Fe(1 1 1): A DFT study

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

BECHTHOLD, PABLO; ARDENGHI, SEBASTIAN; JUAN, ALFREDO; GONZALEZ, ESTELA; JASEN, PAULA

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

BECHTHOLD, PABLO; JASEN, PAULA; ARDENGHI, SEBASTIAN; GONZALEZ, ESTELA; JUAN, ALFREDO

Ab initio study of CO adsorption on PdGa(110)

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

ARDENGHI, SEBASTIAN; BECHTHOLD, PABLO; JASEN, PAULA; E. GONZÁLEZ; A. JUAN

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

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

BECHTHOLD, PABLO; ARDENGHI, SEBASTIAN; CARDOSO SCHWINDT, VIRGINIA; GONZALEZ, ESTELA; JASEN, PAULA; ORAZI, VALERIA; PRONSATO, ESTELA; JUAN, ALFREDO

Benzene adsorption on PtCo(1 1 1): A DFT study

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

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

GONZALEZ, ESTELA; JASEN, PAULA; SANDOVAL, MARIO; BECHTHOLD, PABLO; JUAN, ALFREDO; ETINA BATIč, BARBARA; JENKO MONIKA

Density functional theory study of selenium adsorption on Fe(1 1 0)

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

GONZALEZ, ESTELA; JASEN, PAULA; LUNA, ROMINA; BECHTHOLD, PABLO; JUAN, ALFREDO; BRIZUELA, GRACIELA

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

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