| Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O2 environments D Cortés-Arriagada, N Villegas-Escobar, DE Ortega Applied Surface Science 427, 227-236, 2018 | 232 | 2018 |
| The effect of pH on the adsorption of arsenic(III) and arsenic(V) at the TiO2 anatase [101] surface GH Zhigang Wei, Kai Liang, Yang Wu, Yandi Zou, Junhui Zuo, Diego Cortés ... Journal of colloid and interface science 462, 252-259, 2016 | 147 | 2016 |
| A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption D Cortés-Arriagada, N Villegas-Escobar Applied Surface Science 420, 446-455, 2017 | 83 | 2017 |
| Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study JC Escobar, MS Villanueva, AB Hernández, D Cortés-Arriagada, ... Journal of Molecular Graphics and Modelling 86, 27-34, 2019 | 80 | 2019 |
| Aluminum and iron doped graphene for adsorption of methylated arsenic pollutants D Cortés-Arriagada, A Toro-Labbé Applied Surface Science 386, 84-95, 2016 | 70 | 2016 |
| Phosphorene as a template material for physisorption of DNA/RNA nucleobases and resembling of base pairs: A cluster DFT study and comparisons with graphene D Cortés-Arriagada The Journal of Physical Chemistry C 122 (9), 4870-4880, 2018 | 69 | 2018 |
| Modeling the physisorption of bisphenol A on graphene and graphene oxide D Cortés-Arriagada, L Sanhueza, M Santander-Nelli Journal of molecular modeling 19, 3569-3580, 2013 | 65 | 2013 |
| Building pyridinium molecular wires as axial ligands for tuning the electrocatalytic activity of iron phthalocyanines for the oxygen reduction reaction A Pizarro, G Abarca, C Gutiérrez-Cerón, D Cortés-Arriagada, F Bernardi, ... ACS Catalysis 8 (9), 8406-8419, 2018 | 61 | 2018 |
| Improving As (iii) adsorption on graphene based surfaces: impact of chemical doping D Cortés-Arriagada, A Toro-Labbé Physical Chemistry Chemical Physics 17 (18), 12056-12064, 2015 | 59 | 2015 |
| Acetylsalicylic acid interaction with Boron nitride nanostructures–A density functional analysis MCF Bautista, D Cortés-Arriagada, E Shakerzadeh, EC Anota Journal of Molecular Liquids 355, 118980, 2022 | 57 | 2022 |
| Elucidating the co-transport of bisphenol A with polyethylene terephthalate (PET) nanoplastics: A theoretical study of the adsorption mechanism D Cortés-Arriagada Environmental Pollution 270, 116192, 2021 | 55 | 2021 |
| Iron (III)-light-induced homolysis: A dual photocatalytic approach for the hydroacylation of alkenes using acyl radicals via direct HAT from aldehydes A Chinchole, MA Henriquez, D Cortes-Arriagada, AR Cabrera, O Reiser ACS Catalysis 12 (21), 13549-13554, 2022 | 53 | 2022 |
| Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B12N12 Fullerenes A Escobedo-Morales, L Tepech-Carrillo, A Bautista-Hernández, ... Scientific Reports 9 (1), 16521, 2019 | 49 | 2019 |
| Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations D Cortés-Arriagada, N Villegas-Escobar, S Miranda-Rojas, A Toro-Labbé Physical Chemistry Chemical Physics 19, 4179-4189, 2017 | 48 | 2017 |
| Electrical characteristics of cobalt phthalocyanine complexes adsorbed on graphene GI Cárdenas-Jirón, P Leon-Plata, D Cortes-Arriagada, JM Seminario The Journal of Physical Chemistry C 115 (32), 16052-16062, 2011 | 46 | 2011 |
| 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 … I González, P Dreyse, D Cortés-Arriagada, M Sundararajan, C Morgado, ... Dalton Transactions 44 (33), 14771-14781, 2015 | 43 | 2015 |
| Removal of 4‐chlorophenol using graphene, graphene oxide, and a‐doped graphene (A= N, B): A computational study D Cortés Arriagada, L Sanhueza, K Wrighton International Journal of Quantum Chemistry 113 (15), 1931-1939, 2013 | 42 | 2013 |
| Enhancing the electrocatalytic activity of Fe phthalocyanines for the oxygen reduction reaction by the presence of axial ligands: Pyridine-functionalized single-walled carbon … MP Oyarzún, N Silva, D Cortés-Arriagada, JF Silva, IO Ponce, M Flores, ... Electrochimica Acta 398, 139263, 2021 | 40 | 2021 |
| The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux D Cortes-Arriagada, S Gutierrez-Oliva, B Herrera, K Soto, A Toro-Labbe The Journal of chemical physics 141 (13), 2014 | 40 | 2014 |
| Supramolecular Reversible On–Off Switch for Singlet Oxygen Using Cucurbit[n]uril Inclusion Complexes J Robinson-Duggon, F Perez-Mora, L Valverde-Vasquez, ... The Journal of Physical Chemistry C 121 (39), 21782-21789, 2017 | 39 | 2017 |
Alejandro Toro-LabbeLaboratorio de Química Teórica Computacional (QTC), Pontificia Universidad Catolica de ChileVerified email at puc.cl