Lista de obras - Alberto Roldan - Dominio Público Uruguay

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄.

artículo científico publicado en 2014

A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

artículo científico publicado en 2013

A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface.

artículo científico publicado en 2017

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study.

artículo científico publicado en 2015

Adsorption of methylamine on mackinawite (FES) surfaces: a density functional theory study

artículo científico publicado en 2013

Bio-inspired CO2 conversion by iron sulfide catalysts under sustainable conditions

artículo científico publicado en 2015

Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study

scientific article published on 14 May 2019

Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces

artículo científico publicado en 2015

First-principles study of the inversion thermodynamics and electronic structure ofFeM2X4(thio)spinels (M=Cr, Mn, Co, Ni;X=O, S)

scholarly article in Physical Review B, vol. 91 no. 19, May 2015

Mechanistic study of hydrazine decomposition on Ir(111)

artículo científico publicado en 2020

Multichannel Detection and Differentiation of Explosives with a Quantum Dot Array

artículo científico publicado en 2015

O2 adsorption and dissociation on neutral, positively and negatively charged Aun (n = 5–79) clusters

artículo científico publicado en 2010

Periodic modeling of zeolite Ti-LTA.

artículo científico publicado en 2017

Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS).

artículo científico publicado en 2018

Role of defects in carbon materials during metal-free formic acid dehydrogenation

artículo científico publicado en 2020

The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study

artículo científico publicado en 2019

The surface chemistry of NO(x) on mackinawite (FeS) surfaces: a DFT-D2 study.

artículo científico publicado en 2014

Lista de obras de Alberto Roldan

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄.

A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface.

Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study.

Adsorption of methylamine on mackinawite (FES) surfaces: a density functional theory study

Bio-inspired CO2 conversion by iron sulfide catalysts under sustainable conditions

Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study

Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces

First-principles study of the inversion thermodynamics and electronic structure ofFeM2X4(thio)spinels (M=Cr, Mn, Co, Ni;X=O, S)

Mechanistic study of hydrazine decomposition on Ir(111)

Multichannel Detection and Differentiation of Explosives with a Quantum Dot Array

O2 adsorption and dissociation on neutral, positively and negatively charged Aun (n = 5–79) clusters

Periodic modeling of zeolite Ti-LTA.

Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS).

Role of defects in carbon materials during metal-free formic acid dehydrogenation

The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study

The surface chemistry of NO(x) on mackinawite (FeS) surfaces: a DFT-D2 study.