Search Results - "Fernandez‐Escamilla, Hector Noe"

Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen‐Doped Graphitic Carbon Materials by Fernandez‐Escamilla, Hector Noe, Guerrero‐Sanchez, Jonathan, Contreras, Enrique, Ruiz‐Marizcal, Jose Manuel, Alonso‐Nunez, Gabriel, Contreras, Oscar E., Felix‐Navarro, Rosa María, Romo‐Herrera, Jose M., Takeuchi, Noboru

“…The oxygen reduction reaction (ORR) is of paramount interest, in the context of both alternative energy applications in fuel cells and for on‐site hydrogen…”
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Atomic-scale description of 2D Janus MoSO and MoSeO formation: oxidation patterns and band-gap engineering by Dominguez Godinez, Jair Othoniel, Fernández Escamilla, Héctor Noé, Quijano Briones, José de Jesús, Paez Ornelas, José Israel, Peréz Tijerina, Eduardo, Ponce-Pérez, R, Hoat, D M, Guerrero Sánchez, Jonathan

“…Transition metal dichalcogenides (TMDs) have attracted attention due to their broad-ranging physical properties. Their semiconducting characteristics make them…”
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2D MnC4: A Room‐Temperature Antiferromagnetic System by Fernandez‐Escamilla, Hector Noe, Paez‐Ornelas, Jose Israel, Hoat, Do Minh, Gonzalez‐Hernandez, Rafael, Takeuchi, Noboru, Guerrero‐Sanchez, Jonathan, Perez‐Tijerina, Eduardo Gerardo

“…The number of 2D systems based on Mn and C atoms has been growing significantly due to the magnetic and electronic properties that these monolayers present. In…”
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Nb2C and Nb2CO2 MXenes as Anodes in Li-Ion Batteries: A Comparative Study by First-Principles Calculations by Santoy-Flores, Raúl, Fernández-Escamilla, Héctor Noe, Páez-Ornelas, José Israel, Perez-Tijerina, Eduardo G., Guerrero-Sánchez, Jonathan, Ponce-Pérez, Rodrigo, Takeuchi, Noboru, Moreno-Armenta, Ma. Guadalupe

“…The new generation of Li-ion batteries is based on integrating 2D materials into the electrodes to increase the energy density while reducing the charging time…”
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2D MnC 4 : A Room‐Temperature Antiferromagnetic System by Fernandez‐Escamilla, Hector Noe, Paez‐Ornelas, Jose Israel, Hoat, Do Minh, Gonzalez‐Hernandez, Rafael, Takeuchi, Noboru, Guerrero‐Sanchez, Jonathan, Perez‐Tijerina, Eduardo Gerardo

“…The number of 2D systems based on Mn and C atoms has been growing significantly due to the magnetic and electronic properties that these monolayers present. In…”
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Adsorption and Reactivity of Chiral Modifiers in Heterogeneous Catalysis: 1‑(1-Naphthyl)ethylamine on Pt Surfaces by Wang, Zihao, Fernández-Escamilla, Héctor Noé, Guerrero-Sánchez, Jonathan, Takeuchi, Noboru, Zaera, Francisco

“…The adsorption from solution onto a Pt surface of 1-(1-naphthyl)­ethylamine (1-NEA), a chiral modifier used to introduce enantioselectivity in catalytic…”
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DFT study of the dimethyl sulfoxide reduction on silicene by Garcia-Diaz, Reyes, Guerrero-Sánchez, Jonathan, Fernández-Escamilla, Héctor Noé, Takeuchi, Noboru

“…[Display omitted] •DFT results suggest the dimethyl sulfoxide (MDSO) reduction on silicene as viable.•Toxic DMSO can be reduced to dimethyl sulfide (DMS), a…”
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Density Functional Theory Study of Single-Atom Transition Metal Catalysts Supported on Pyridine-Substituted Graphene Nanosheets for Oxygen Reduction Reaction by Alvarado-Leal, Luis Angel, Fernández-Escamilla, Héctor Noé, Paez-Ornelas, Jose Israel, Perez-Tijerina, Eduardo Gerardo, Guerrero-Sanchez, Jonathan, Romo-Herrera, Jose Manuel, Takeuchi, Noboru

“…The oxygen reduction reaction (ORR) is of great importance due to its applications for alternative energies and environmental remediation. Therefore,…”
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Influence of the Atomic Local Environment on the ORR Activity of Single-Atom Catalysts in N‑Doped Graphene by Alvarado-Leal, Luis Angel, Paez-Ornelas, José Israel, Fernández-Escamilla, Héctor Noé, Perez-Tijerina, Eduardo Gerardo, Guerrero-Sánchez, Jonathan, Romo-Herrera, Jose Manuel, Takeuchi, Noboru

“…Using density functional theory, we have studied a graphene structure with a single C vacancy, doped with three pyridinic N atoms and a single metallic adatom…”
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Formaldehyde adsorption on a hydrogenated aluminum nitride monolayer: A self-propagated reaction by Noguerón, Alejandro, Fernández-Escamilla, Héctor Noé, Guerrero-Sánchez, Jonathan, Takeuchi, Noboru

“…[Display omitted] •Formaldehyde adsorbs in a hydrogen vacancy, and abstracts a neighbouring hydrogen.•The overall energy barrier of the overall reaction is of…”
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Nb 2 C and Nb 2 CO 2 MXenes as Anodes in Li-Ion Batteries: A Comparative Study by First-Principles Calculations by Santoy-Flores, Raúl, Fernández-Escamilla, Héctor Noe, Páez-Ornelas, José Israel, Perez-Tijerina, Eduardo G, Guerrero-Sánchez, Jonathan, Ponce-Pérez, Rodrigo, Takeuchi, Noboru, Moreno-Armenta, Ma Guadalupe

“…The new generation of Li-ion batteries is based on integrating 2D materials into the electrodes to increase the energy density while reducing the charging time…”
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