Video Experimental Relacionado

Updated: Feb 5, 2026

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production

Published on: December 6, 2021

Diseño de catalizadores efectivos para la hidrogenación selectiva de alquinos mediante el dopaje de Ceria con un

Christopher Riley¹, Shulan Zhou^2,3, Deepak Kunwar¹

¹Department of Chemical and Biological Engineering and Center for Microengineered Materials , University of New Mexico , Albuquerque , New Mexico 87131 , United States.

Journal of the American Chemical Society

|September 18, 2018

Resumen

Este estudio revela un nuevo mecanismo catalítico para la hidrogenación de alquinos utilizando ceria, que implica la disociación del hidrógeno en las vacantes de oxígeno. El dopaje de níquel mejora la ceria

Área de la Ciencia:

Ciencias de los materiales
Catálisis
Química de las superficies

Sus antecedentes:

Ceria (CeO2) es un catalizador conocido para la hidrogenación selectiva de alquinos.
El mecanismo catalítico preciso sigue siendo objeto de debate.
Comprender el mecanismo es clave para diseñar catalizadores mejorados.

Objetivo del estudio:

Para dilucidar el mecanismo catalítico de la hidrogenación de alquino en ceria.
Proponer un nuevo mecanismo que involucra vacantes de oxígeno y pares de Lewis frustrados.
Diseñar y validar catalizadores mejorados basados en ceria mediante dopaje.

Principales métodos:

Se emplearon cálculos de la Teoría Funcional de Densidad (DFT) para investigar el mecanismo de reacción.
El modelado computacional exploró la disociación del hidrógeno en las vacantes de oxígeno en CeO2{111}.
Se llevaron a cabo estudios experimentales para validar el mecanismo propuesto y el diseño del catalizador.

Principales resultados:

Se propuso un mecanismo que involucra la disociación heterolítica de H2 en las vacantes de oxígeno a través de pares de Lewis frustrados.
Este mecanismo evita la sobreestabilización de los productos intermedios clave, a diferencia de los modelos anteriores.
La ceria dopada con nitrógeno demostró una actividad significativamente mejorada para la hidrogenación selectiva del acetileno.
El Ni actúa como promotor de un solo átomo, creando vacantes de oxígeno sin participación directa en la reacción.

Conclusiones:

El mecanismo propuesto basado en DFT proporciona una nueva comprensión de la actividad catalítica de ceria.
El dopaje de níquel es una estrategia eficaz para crear vacantes de oxígeno activo en la ceria.
Este trabajo ofrece una base para el desarrollo de catalizadores de hidrogenación selectiva eficientes y abundantes en la tierra.

Más Videos Relacionados

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds

Published on: December 2, 2013

Videos de Conceptos Relacionados

Atomic Radii and Effective Nuclear Charge

Atomic Radii and Effective Nuclear Charge

The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Reduction of Alkynes to cis-Alkenes: Catalytic Hydrogenation

Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.

Hydrogen Bonds

Hydrogen Bonds

Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....

Hybridization of Atomic Orbitals I

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...

Atomic Spectroscopy: Effects of Temperature

Atomic Spectroscopy: Effects of Temperature

Atomization, converting samples into gas-phase atoms and ions, is essential for atomic spectroscopy. The flame temperature required for atomization affects the efficiency of the atomic spectroscopic methods by increasing the atomization efficiency and the relative population of the excited and ground states.
At thermal equilibrium, the relative populations of excited and ground state atoms can be estimated using the Maxwell–Boltzmann distribution. For example, an increase in temperature...

Atomic Orbitals

Atomic Orbitals

An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.