AMBRUSI, R.E.; JUAN, J.; MARCHETTI, J.M.

Theoretical study of the adsorption of methyl formate on the MgO (100) surface

Applied Surface Science Advances; Año: 2025 vol. 28

REIMERS, WALTER; JUAN, JULIAN; BECHTHOLD, PABLO; LUNA, ROMINA

Dimensionality and charge states in CeO2 surface defects: A theoretical analysis using reactivity/stability descriptors with NO as the test molecule

Materials Today Communications; Año: 2025 vol. 45

JUAN, J.; AMBRUSI, R.E.; BRIZUELA, G.P.; MARCHETTI, J.M.

DFT study of the adsorption of glycerol on K2O (1 1 0) for biodiesel production

APPLIED SURFACE SCIENCE; Año: 2025

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

A DFT study of lithium intercalation and metallization on oxygen-vacancy containing TiO2(110)

Applied Surface Science Advances; Año: 2025 vol. 26

JUAN, JULIÁN; PRONSATO, MARÍA E.; RAMIREZ-PASTOR, ANTONIO J.; LONGONE, PABLO

Two-Dimensional Lattice-Gas model for methane clathrate Hydrates: Comparative analysis with experiments and Three-Dimensional simulations

JOURNAL OF MOLECULAR LIQUIDS; Año: 2025

JIMÉNEZ, M.J.; JUAN, J.; SANDOVAL, M.S.; BECHTHOLD, P.; JASEN, P.V.; GONZÁLEZ, E.A.; JUAN, ALFREDO

Li decorated graphdiyne nanosheets: A theoretical study for an electrode material for nonaqueous lithium batteries

Batteries & Supercaps; Año: 2024

PATRIGNANI, MAURO; JUAN, JULIÁN; NAGEL, OSCAR; REIMERS, WALTER; LUNA, ROMINA; JASEN, PAULA V.

The adsorption of CO and NO on (8,0) SWCNT decorated with transition metals: A DFT study as a possible gas sensor

POWDER TECHNOLOGY; Año: 2024

GAZTAÑAGA, F.; JUAN, J.; GONZÁLEZ, E.; FACCIO, R.; LUNA, R.; JASEN, P.

Effect of carbon monovacancy on the adsorption of MgH2 on the (8,0) and (8,8) SWCNT

PHYSICA B - CONDENSED MATTER; Año: 2024 vol. 688

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

Theoretical study of alkali metals (Li, Na, K) intercalation in the H2Ti3O7(1 0 0) surface

APPLIED SURFACE SCIENCE; Año: 2024

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

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2023 vol. 228

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: 2023

J, VILLARREAL; J. JUAN; P. JASEN; J. S. ARDENGHI

Effective hopping between magnetic impurities in silicene

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS; Año: 2022

C. V. DE LIMA; J. JUAN; R. FACCIO; E. A. GONZÁLEZ; C. PISTONESI; J. S. REBOUÇAS; M. F. PISTONESI

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

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2022

JUAN, J.; FERNÁNDEZ-WERNER, L.; BECHTHOLD, P.; VILLARREAL, J.; GATZAÑAGA, F.; JASEN, PAULA V.; FACCIO, R.; GONZÁLEZ, E. A.

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

JOURNAL OF PHYSICS CONDENSED MATTER; Lugar: Londres; Año: 2022

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

NOSEDA GRAU, E.; ROMÁN, G.; JUAN, J.; COMPAÑY, A. DÍAZ; SIMONETTI, S.

Advance on adsorption of amino-functionalized silica nanocarrier for the delivery of therapeutic ampicillin as drug model

INORGANIC CHEMISTRY COMMUNICATIONS; Año: 2021 vol. 123

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

GASNIER, AURELIEN; AMICA, GUILLERMINA; JUAN, JULIÁN; TROIANI, HORACIO; GENNARI, FABIANA C.

N-Doped Graphene-Rich Aerogels Decorated with Nickel and Cobalt Nanoparticles: Effect on Hydrogen Storage Properties of Nanoconfined LiBH4

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2019