PEREZ ADASSUS, MARÍA BELÉN; HEFFNER, HERMAN; LÓPEZ-CORRAL, IGNACIO; SPETTER, CARLA; LASSALLE, VERÓNICA

Studies on elimination of nutrients from aqueous effluents using ZnO nanoparticles: the case of ammonium as a model. Experimental and theoretical insights

JOURNAL OF MATERIALS SCIENCE; Lugar: Berlin; Año: 2024

GONZÁLEZ FÁ, A.J.; LUNA, C.R.; MARCHETTI, J.M.; FACCIO, R.; LÓPEZ-CORRAL, I.

Ab-initio study of vacancy-defective aluminium nitride nanosheets as trifluoroacetonitrile gas sensor

APPLIED SURFACE SCIENCE; Año: 2023 vol. 612

HEFFNER, HERMAN; MARCHETTI, JORGE M.; FACCIO, RICARDO; LÓPEZ-CORRAL, IGNACIO

A theoretical exploration of catechol sensitization of C-doped bronze TiO2 surfaces for photochemical systems

COMPUTACIONAL MATERIALS SCIENCE; Lugar: Ámsterdam; Año: 2023 vol. 230

HEFFNER, HERMAN; MARCHETTI, JORGE MARIO; FACCIO, RICARDO; LÓPEZ-CORRAL, IGNACIO

Density Functional Evaluation of Catechol Adsorption on Pristine and Reduced TiO2(B)(100) Ultrathin Sheets for Dye-Sensitized Solar Cell Applications

INORGANIC CHEMISTRY; Año: 2022 vol. 61 p. 19248 - 19260

HERMAN HEFFNER; RICARDO FACCIO; IGNACIO LÓPEZ CORRAL

Electronic structure properties of boron-doped and carbon-boron-codoped TiO2(B) for photocatalytic applications

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Oxford; Año: 2022 vol. 165

ALEJANDRO GONZÁLEZ FÁ; RICARDO FACCIO; IGNACIO LÓPEZ-CORRAL

Detection of SOF2 and SO2F2 through aluminium nitride nanosheets: A DFT study

APPLIED SURFACE SCIENCE; Año: 2021 vol. 538

HERMAN HEFFNER; RICARDO FACCIO; IGNACIO LÓPEZ CORRAL

C–doped TiO2(B): A density functional theory characterization

APPLIED SURFACE SCIENCE; Año: 2021 vol. 551

ALEJANDRO GONZÁLEZ FÁ; VALERIA ORAZI; PAULA JASEN; JORGE MARCHETTI; IGNACIO LÓPEZ-CORRAL

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

APPLIED SURFACE SCIENCE; Año: 2020 vol. 525

GONZÁLEZ FÁ, ALEJANDRO; PIGNANELLI, FERNANDO; LÓPEZ-CORRAL, IGNACIO; FACCIO, RICARDO; JUAN, ALFREDO; DI NEZIO, MARÍA SUSANA

Detection of Oxytetracycline in honey using SERS on silver nanoparticles

TRAC-TRENDS IN ANALYTICAL CHEMISTRY; Año: 2019

ALEJANDRO GONZÁLEZ FÁ; IGNACIO LÓPEZ CORRAL; RICARDO FACCIO; ALFREDO JUAN; MARÍA SUSANA DI NEZIO

Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with D-glucose

JOURNAL OF RAMAN SPECTROSCOPY; Lugar: Londres; Año: 2018 vol. 49 p. 1756 - 1764

AZCONA, PAMELA; LÓPEZ-CORRAL, IGNACIO; LASSALLE, VERÓNICA

Fabrication of folic acid magnetic nanotheranostics: An insight on the formation mechanism, physicochemical properties and stability in simulated physiological media

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS; Año: 2018 vol. 537 p. 185 - 196

ALEJANDRO GONZÁLEZ FÁ; VALERIA ORAZI; ESTELA GONZÁLEZ; ALFREDO JUAN; IGNACIO LÓPEZ CORRAL

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

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

IGNACIO LÓPEZ CORRAL; SEBASTIÁN PIRIZ; RICARDO FACCIO; ALFREDO JUAN; MARCELO AVENA

A van der Waals DFT study of PtH2 systems absorbed on pristine and defective graphene

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 382 p. 80 - 87

SILVINA PIRILLO; ROMINA LUNA; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; MARCELO AVENA

Geometrical and Electronic Properties of Hydrated Sodium Montmorillonite and Tetracycline Montmorillonite from DFT Calculations

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 16082 - 16088

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; SILVINA PIRILLO; ALFREDO JUAN; GRACIELA BRIZUELA

A DFT study of cyclopropane adsorption on Pt(111). Electronic structure and bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 303 p. 324 - 330

IGNACIO LÓPEZ CORRAL; BEATRIZ IRIGOYEN; ALFREDO JUAN

Bonding in PdH2 and Pd2H2 systems adsorbed on carbon nanotubes: Implications for hydrogen storage

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2014 vol. 39 p. 8780 - 8790

SILVINA PIRILLO; IGNACIO LÓPEZ CORRAL; ESTEFANÍA GERMÁN; ALFREDO JUAN

Density functional study of acrolein adsorption on Pt(111)

VACUUM; Lugar: Amsterdam; Año: 2014 vol. 99 p. 259 - 264

IGNACIO LÓPEZ CORRAL; ESTEFANÍA GERMÁN; ALFREDO JUAN; MARÍA ALICIA VOLPE; GRACIELA BRIZUELA

Hydrogen adsorption on palladium dimer decorated graphene: a bonding study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Ámsterdam; Año: 2012 vol. 37 p. 6653 - 6665

IGNACIO LÓPEZ CORRAL; JORGE DE CELIS; ALFREDO JUAN; BEATRIZ IRIGOYEN

DFT study of H2 adsorption on Pd-decorated single walled carbon nanotubes with C-vacancies

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Ámsterdam; Año: 2012 vol. 37 p. 10156 - 10164

SILVINA PIRILLO; IGNACIO LÓPEZ CORRAL; ESTEFANÍA GERMÁN; ALFREDO JUAN

The adsorption of acrolein on a Pt (111): A study of chemical bonding and electronic structure

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2012 vol. 263 p. 79 - 85

CAROLINA ZUBIETA; ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; PABLO SCHULZ; PAULA MESSINA; MARIANA DENNEHY

Theoretical and experimental studies on the adsorption of intercalant dyes on anatase and rutile

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS; Lugar: Amsterdam; Año: 2011 vol. 386 p. 71 - 78

IGNACIO LÓPEZ CORRAL; ESTEFANÍA GERMÁN; ALFREDO JUAN; MARÍA ALICIA VOLPE; GRACIELA BRIZUELA

DFT study of hydrogen adsorption on palladium decorated graphene

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2011 vol. 115 p. 4315 - 4323

IGNACIO LÓPEZ CORRAL; ESTEFANÍA GERMÁN; MARÍA ALICIA VOLPE; GRACIELA BRIZUELA; ALFREDO JUAN

Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2010 vol. 35 p. 2377 - 2384

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; GRACIELA BRIZUELA

Cyclopentene (c-C5H8) adsorption on Si(001)-2×1 and on dimer vacancies on the surface: A theoretical study of the electronic structure and chemical bonding

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 49 p. 888 - 894

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; GRACIELA BRIZUELA

A theoretical study of c-C5H8 adsorption on Ge(001) and on dimer vacancies on the surface: Electronic structure and bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 256 p. 6237 - 6245

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; GRACIELA BRIZUELA

A theoretical study of cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5-) on Ni (111)

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2009 vol. 314 p. 28 - 34

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ CORRAL; ALFREDO JUAN; GRACIELA BRIZUELA

A bonding study of cyclopentene (c-C5H8) adsorption on Ni (111) surface

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2008 vol. 290 p. 23 - 29