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Manipulación del centro de la banda d del níquel por la estrategia de un solo átomo de yodo para la reacción de

Chongjing Liu¹, Beibei Sheng¹, Quan Zhou¹

¹National Synchrotron Radiation Laboratory, Key Laboratory of Precision and Intelligent Chemistry, School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China.

Journal of the American Chemical Society

|September 19, 2024

Resumen

Este estudio introduce un nuevo catalizador de níquel de un solo átomo de yodo (I-Ni@C) para una reacción eficiente de evolución del hidrógeno (HER). El catalizador optimiza el nivel de energía de la banda d de níquel, mejorando el rendimiento y la estabilidad en condiciones alcalinas.

Área de la Ciencia:

Ciencias de los materiales
La electroquímica
Catálisis

Sus antecedentes:

Los electrocatalizadores basados en níquel son prometedores para la reacción de evolución del hidrógeno (HER), pero están limitados por los niveles de energía desfavorables de la banda d.
La ingeniería precisa de estas estructuras de banda d en materiales de níquel es desafiante debido a las limitaciones de síntesis y caracterización.

Objetivo del estudio:

Sintetizar y caracterizar un nuevo catalizador de níquel de un solo átomo de yodo (I-Ni@C) para la manipulación precisa del nivel de energía de la banda d.
Para aclarar el mecanismo catalítico y comprender el papel del dopaje monoatómico en la mejora del rendimiento de HER.

Principales métodos:

Síntesis de una estructura de un solo átomo de yodo (I-Ni@C).
Caracterización mediante espectroscopia de dispersión de rayos X inelástica de resonancia (RIXS) para determinar los niveles de energía de la banda d.
Las técnicas múltiples basadas en la radiación sincrotrónica (SRMS), incluida la estructura fina de absorción de rayos X (XAFS), el SR-FTIR in situ y el NAP-XPS, para analizar el mecanismo catalítico.

Principales resultados:

La espectroscopia RIXS reveló con éxito la regulación precisa del nivel de energía de la banda d de Ni en I-Ni@C.
La estrategia de un solo átomo de yodo facilitó un nivel de energía de banda d moderado, equilibrando la adsorción/desorción intermedia.
La interacción electrónica mejorada entre el Ni y la capa de carbono creó un campo eléctrico polarizado, ayudando a la disociación del H2O.

Conclusiones:

El catalizador I-Ni@C demuestra un rendimiento de HER alcalino significativamente mejorado con un bajo sobrepotencial (78 mV a 10 mA/cm2) y una estabilidad superior.
Este estudio adaptó con éxito el centro de banda d de materiales utilizando SRMS, ofreciendo ideas cruciales para la nanotecnología, la química y la catálisis.
Los resultados ponen de relieve el potencial de las estrategias de dopaje de un solo átomo para el diseño de electrocatalizadores avanzados.

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