AMBRUSI, R.E.; ORAZI, V.; MORELLI, A.; MARCHETTI, J.M.; JUAN, A.

Theoretical study of a Ti4 cluster interacting with B-doped and non-doped multivacancy graphene

PHYSICA B - CONDENSED MATTER; Año: 2024

AMBRUSI, R.E.; ORAZI, V.; MARCHETTI, J.M.; JUAN, A.; PRONSATO, M.E.

Hydrogen storage by spillover on Ni4 cluster embedded in three vacancy graphene. A DFT and dynamics study

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2022 vol. 167

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

ORAZI, V.; AMBRUSI, R.E.; MARCHETTI, J.M.; PRONSATO, M.E.

International Journal of Hydrogen Energy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2020

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

DFT study of ethanol adsorption on CaO(001) surface

APPLIED SURFACE SCIENCE; Año: 2020 vol. 500

GONZÁLEZ FÁ, A.J.; ORAZI, V.; JASEN, P.; MARCHETTI, J.M.; LÓPEZ-CORRAL, I.

Adsorption of carbonyl sulfide on Pt-doped vacancy-defected SWCNT: A DFT study

APPLIED SURFACE SCIENCE; Año: 2020 vol. 525

AMBRUSI, R.E.; ORAZI, V.; MARCHETTI, J.M.; PRONSATO, M.E.

Ni clusters embedded in multivacancy graphene substrates

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Amsterdam; Año: 2019

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

ARDENGHI, JUAN SEBASTIÁN; JUAN, ALFREDO; ORAZI, VALERIA; SOURROUILLE, LUCAS

Zero energy mode for an electron in graphene in a perpendicular magnetic field with constant asymptotics

PHYSICA E; Año: 2019 vol. 109 p. 225 - 227

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; Lugar: Amsterdam; 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; Lugar: Washington; 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

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

DFT study of benzene and CO co-adsorption on PtCo(1 1 1)

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

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

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

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