国家/地区 Chile（9）
关键词 ADSORPTION（6） DFT CALCULATION（6） GRAPHENE（3）
ARSENIC（2） DOPED GRAPHENE（2） FEDOPED GRAPHENE（2）
GAS POLLUTANT（2） GAS SENSOR（2）
出版物 APPLIED SURFACE SCI.（2） INTERNATIONAL JOURN.（2） JOURNAL OF MOLECULA.（2）
出版时间 2017（3） 2018（3） 2019（3）
机构 UNIV TECNOL METROPOLITANA（9）
作者 CORTESARRIAG.（9） ORTEGA DE（3） VILLEGASESCO.（2）

Performance of doped graphene nanoadsorbents with first-row transition metals (Sc-Zn) for the adsorption of water-soluble trivalent arsenicals: A DFT study

JOURNAL OF MOLECULAR LIQUIDS

CORTESARRIAGADA D, MELLA A

Interaction of trivalent arsenic on different topologies of Fe-doped graphene nanosheets at water environments: A computational study

JOURNAL OF MOLECULAR LIQUIDS

GAZZARI S, CORTESARRIAGADA D

Computational quest of adsorbents based on doped graphene nanosheets for phosgene uptake, and analysis of the co-adsorption phenomena

SYNTHETIC METALS

MEA A, CORTESARRIAGADA D

Effects on the aromatic character of DNA/RNA nucleobases due to its adsorption onto graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

CORTESARRIAGADA D, ORTEGA DE

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

JOURNAL OF PHYSICAL CHEMISTRY C

CORTESARRIAGADA D

Fe-doped graphene nanosheet as an adsorption platform of harmful gas molecules (CO, CO2, SO2 and H2S), and the co-adsorption in O-2 environments

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N, ORTEGA DE

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

APPLIED SURFACE SCIENCE

CORTESARRIAGADA D, VILLEGASESCOBAR N

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CORTESARRIAGADA D, MIRANDAROJAS S, ORTEGA DE, TOROLABBE A

Adsorption of polycyclic aromatic hydrocarbons onto graphyne: Comparisons with graphene

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

CORTESARRIAGADA D