Search Results - "Orellana, Walter"

Catalytic Properties of Transition Metal–N4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms by Orellana, Walter

“…The O2 dissociation after the chemisorption on the metal center of M–N4 moieties in graphene (with M = Mn, Fe, and Co) is addressed by density functional…”
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Evidence of carbon-supported porphyrins pyrolyzed for the oxygen reduction reaction keeping integrity by Orellana, Walter, Loyola, César Zúñiga, Marco, José F., Tasca, Federico

“…Fe(III) 5,10,15,20-(tetraphenyl)porphyrin chloride (FeTPP) and Co(III) 5,10,15,20-(tetraphenyl)porphyrin chloride (CoTPP) were adsorbed on carbon Vulcan and…”
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Biomimicking vitamin B12. A Co phthalocyanine pyridine axial ligand coordinated catalyst for the oxygen reduction reaction by Riquelme, Jorge, Neira, Karinna, Marco, José F., Hermosilla-Ibáñez, Patricio, Orellana, Walter, Zagal, José H., Tasca, Federico

“…CoN4 complexes like Co phthalocyanines (CoPc) have been extensively studied as electrocatalysts for the oxygen reduction reaction (ORR) but they only promote…”
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Influence of cyano substituents on the electron density and catalytic activity towards the oxygen reduction reaction for iron phthalocyanine. The case for Fe(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyanine by Govan, Joseph, Abarca, Gabriel, Aliaga, Carolina, Sanhueza, Byran, Orellana, Walter, Cárdenas-Jirón, Gloria, Zagal, José H., Tasca, Federico

“…[Display omitted] •Fe(II) octa(cyano)phthalocyanine was tested for the Oxygen Reduction Reaction at pH 1 and 13.•Fe(II) octa(cyano)phthalocyanine showed…”
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Transient external force induces phenotypic reversion of malignant epithelial structures via nitric oxide signaling by Ricca, Benjamin L, Venugopalan, Gautham, Furuta, Saori, Tanner, Kandice, Orellana, Walter A, Reber, Clay D, Brownfield, Douglas G, Bissell, Mina J, Fletcher, Daniel A

“…Non-malignant breast epithelial cells cultured in three-dimensional laminin-rich extracellular matrix (lrECM) form well organized, growth-arrested acini,…”
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Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au) by Solar-Encinas, José, Vásquez-Espinal, Alejandro, Leyva-Parra, Luis, Yañez, Osvaldo, Inostroza, Diego, Valenzuela, Maria Luisa, Orellana, Walter, Tiznado, William

“…Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment…”
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Oxygen Reduction Reaction at Penta-Coordinated Co Phthalocyanines by Viera, Marco, Riquelme, Jorge, Aliaga, Carolina, Marco, José F, Orellana, Walter, Zagal, José H, Tasca, Federico

“…From the early 60s, Co complexes, especially Co phthalocyanines (CoPc) have been extensively studied as electrocatalysts for the oxygen reduction reaction…”
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Catalytic Properties of Transition Metal–N 4 Moieties in Graphene for the Oxygen Reduction Reaction: Evidence of Spin-Dependent Mechanisms by Orellana, Walter

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Metal Substitutions in the MOF‑5 Metal–Organic Framework: A Hybrid Density Functional Theory Study by Orellana, Walter

“…Doping properties of the MOF-5 metal–organic framework [Zn4O­(BDC)3, BDC = benzodicarboxylate] are explored using density functional theory calculations, with…”
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D-π-A dye attached on TiO2(101) and TiO2(001) surfaces: Electron transfer properties from ab initio calculations by Orellana, Walter

“…[Display omitted] •Deprotonated YD2 dyes binds strongly onto TiO2 surfaces follow bidentate linkage modes.•The dye excited state shows hybridization with TiO2…”
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Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube by Orellana, Walter, Pino-Rios, Ricardo, Yañez, Osvaldo, Vásquez-Espinal, Alejandro, Peccati, Francesca, Contreras-García, Julia, Cardenas, Carlos, Tiznado, William

“…We computationally explore an alternative to stabilize one-dimensional (1D) silicon-lithium nanowires (NWs). The Li 12 Si 9 Zintl phase exhibits the NW [ Li 6…”
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Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study by Orellana, Walter

“…[Display omitted] ► sp2- and sp3-like chemical attachment of metallophthalocyanines on metallic CNTs. ► The functionalized CNTs preserve their metallic…”
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Energetic of nitrogen incorporation reactions in SiO2 by Orellana, Walter

“…We study using first-principles calculations the energetic, structural and electronic properties of nitrogen incorporation in SiO2. We consider NO, NH, N2 and…”
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Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations by Orellana, Walter

“…[Display omitted] •The absorption intensity increases with the concentration of TPP on the CNTs.•There is no energetic preference in the TPP adsorption with…”
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Strong π-π interaction of porphyrins on (6,5) carbon nanotubes with full surface coverage: Ab-initio calculations by Orellana, Walter

“…The stability, electronic, and optical properties of (6,5) single-walled carbon nanotubes (CNTs) functionalized with free-base tetraphenylporphyrin (TPP)…”
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Hydrogen storage on cation-decorated biphenylene carbon and nitrogenated holey graphene by Guerrero-Avilés, Raúl, Orellana, Walter

“…Hydrogen storage on cation-decorated biphenylene carbon (BPC) and nitrogenated holey graphene (C2N) layered materials are addressed by dispersion-corrected…”
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Abstract B034: Characterizing the role of HNF4α P1 and P2 isoforms in the classical subtype of pancreatic ductal adenocarcinoma by Fang, Pengshu, Orellana, Walter A.

“…Abstract Background: Recent transcriptomic studies have identified distinct subtypes of pancreatic ductal adenocarcinoma (PDAC). Broadly, PDAC can be…”
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PROPUESTA DE EXTRACCIÓN AUTOMÁTICA DE CANDIDATOS A TÉRMINO DEL DOMINIO MÉDICO PROCESANDO INFORMACIÓN LINGÜÍSTICA. DESCRIPCIÓN Y EVALUACIÓN DE RESULTADOS by KOZA ORELLANA, Walter

“…Se presenta la descripción de un método de extracción automática de candidatos a términos del área médica a partir del procesamiento de información…”
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Effect of Electrolyte Media on the Catalysis of Fe Phthalocyanine toward the Oxygen Reduction Reaction: Ab Initio Molecular Dynamics Simulations and Experimental Analyses by Orellana, Walter, Zuñiga, Cesar, Gatica, Angelica, Ureta-Zanartu, Maria-Soledad, Zagal, Jose H., Tasca, Federico

“…FeN4 macrocycles are among the most promising nonprecious metal catalysts for the oxygen reduction reaction (ORR). Nevertheless, these catalysts perform poorly…”
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On the effects of Br−, ClO4−, NO3−anions on the oxygen reduction reaction electrocatalysis at Fe phthalocyanine modified electrodes by Loyola, César Zúñiga, Gatica, Angélica, Troncoso, Nicolás, Orellana, Walter, Tasca, Federico

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