List of works - Diego Cortés-Arriagada

A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption

A Family of IrIIIComplexes with High Nonlinear Optical Response and Their Potential Use in Light-Emitting Devices

A comparative study of Ir(III) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs).

scientific article published on 29 July 2015

A theoretical investigation of the removal of methylated arsenic pollutants with silicon doped graphene

scholarly article in RSC Advances, vol. 6 no. 34, 2016

A through-space charge transfer mechanism for explaining the oxidation of 2-chlorophenol on a tetrasulphonated nickel(III) phthalocyanine

scholarly article by Diego Cortés-Arriagada & Gloria I. Cárdenas-Jirón published January 2011 in Computational and Theoretical Chemistry

About the electronic and photophysical properties of iridium(III)-pyrazino[2,3-f][1,10]-phenanthroline based complexes for use in electroluminescent devices

scientific article published on 9 October 2015

Adsorption of polycyclic aromatic hydrocarbons onto graphyne: Comparisons with graphene

Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations

scientific article published on 19 December 2016

Aluminum and iron doped graphene for adsorption of methylated arsenic pollutants

scholarly article by Diego Cortés-Arriagada & Alejandro Toro-Labbe published November 2016 in Applied Surface Science

Binding of Trivalent Arsenic onto the Tetrahedral Au20 and Au19Pt Clusters: Implications in Adsorption and Sensing

scientific article published on 22 June 2015

Building Pyridinium Molecular Wires as Axial Ligands for Tuning the Electrocatalytic Activity of Iron Phthalocyanines for the Oxygen Reduction Reaction

Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B12N12 Fullerenes

scientific article published on 11 November 2019

Evaluating the hydrogen chemisorption and physisorption energies for nitrogen-containing single-walled carbon nanotubes with different chiralities: a density functional theory study

Expanding the environmental applications of metal (Al, Ti, Mn, Fe) doped graphene: adsorption and removal of 1,4-dioxane

scientific article published on 01 November 2016

Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments

Fluorescence properties of aurone derivatives: an experimental and theoretical study with some preliminary biological applications.

scientific article published on 21 June 2017

Fullerene-like boron nitride cages BxNy (x + y = 28): stabilities and electronic properties from density functional theory computation

scientific article published on 04 January 2019

Global and local reactivity indexes applied to understand the chemistry of graphene oxide and doped graphene.

scientific article published on 21 October 2012

Heteroleptic Cu(i) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands – an experimental and theoretical study of their photophysical properties

Improving As(iii) adsorption on graphene based surfaces: impact of chemical doping

scientific article published on 01 May 2015

Insights into the luminescent properties of anionic cyclometalated iridium(III) complexes with ligands derived from natural products

scholarly article by Diego Cortés-Arriagada et al published 13 May 2018 in International Journal of Quantum Chemistry

Insights into the use of Au19Cu and Au19Pd clusters for adsorption of trivalent arsenic

Interaction of H2O with (CuS)n, (Cu2S)n, and (ZnS)n small clusters (n = 1-4, 6): relation to the aggregation characteristics of metal sulfides at aqueous solutions

scientific article published on 31 August 2019

Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study

Mechanistic details of ethylene polymerization reaction using methallyl nickel(ii) catalysts

scientific article published on 01 September 2018

Modeling the physisorption of bisphenol A on graphene and graphene oxide

scientific article

New cyclometalated Ir(iii) complexes with bulky ligands with potential applications in LEC devices: experimental and theoretical studies of their photophysical properties

Oxidized and Si-doped graphene: emerging adsorbents for removal of dioxane.

scientific article published on 28 June 2017

Phosphorene as a Template Material for Physisorption of DNA/RNA Nucleobases and Resembling of Base Pairs: A Cluster DFT Study and Comparisons with Graphene

article published in 2018

Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-π-methane Rearrangement

scientific article published on 14 March 2018

Substituent effects on the photophysical properties of amino-aurone-derivatives

Supramolecular Reversible On–Off Switch for Singlet Oxygen Using Cucurbit[n]uril Inclusion Complexes

article

Synthesis of new phosphorescent imidoyl-indazol and phosphine mixed ligand Cu(i) complexes – structural characterization and photophysical properties

scholarly article in RSC Advances, vol. 6 no. 7, 2016

The Role of Co-Activation and Ligand Functionalization in Neutral Methallyl Nickel(II) Catalysts for Ethylene Oligomerization and Polymerization

scientific article published on 24 May 2017

The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux

scientific article published on 01 October 2014

Theoretical analysis of C-F bond cleavage mediated by cob[I]alamin-based structures.

scientific article published on 17 August 2017

List of works by Diego Cortés-Arriagada