Boosting hydrogen and methane formation on a high-entropy photocatalyst by integrating atomic d0/d10 electronic junctions and microscopic P/N heterojunctions

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Autori principali: Hai, Ho Truong Nam, Hidalgo-Jiménez, Jacqueline, Edalati, Kaveh
Natura: Preprint
Pubblicazione: 2025
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author Hai, Ho Truong Nam
Hidalgo-Jiménez, Jacqueline
Edalati, Kaveh
author_facet Hai, Ho Truong Nam
Hidalgo-Jiménez, Jacqueline
Edalati, Kaveh
contents The formation of green energy carriers such as hydrogen (H2) and methane (CH4) via photocatalytic processes provides a clean method for addressing environmental and energy issues. To achieve highly efficient photocatalysts for H2 and CH4 generation, the present work introduces the P/N heterojunctions in a high-entropy oxide (HEO) with d0/d10 electronic junctions. The study uses CuO as a P-type semiconductor and the HEO containing d0 (Ti, Zr, Nb, Ta) and d10 (Zn) cations as an N-type semiconductor. The material exhibits improvements in optical properties, such as light absorption, charge mobility and reduced electron-hole recombination. The integration of two concepts, atomic-scale d0/d10 electronic junctions and micro-scale P/N heterojunctions, leads to enhanced H2 and CH4 production. Particularly after the partial removal of vacancies in the heterojunction, H2 production from photocatalytic water splitting reaches 0.71 mmol/g.h, and CH4 evolution from CO2 conversion reaches 2.40 umol/g.h with 72% selectivity for methanation. The integrated strategy of this study has a high potential in developing active heterostructured catalysts for clean fuel production.
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id arxiv_https___arxiv_org_abs_2508_01963
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Boosting hydrogen and methane formation on a high-entropy photocatalyst by integrating atomic d0/d10 electronic junctions and microscopic P/N heterojunctions
Hai, Ho Truong Nam
Hidalgo-Jiménez, Jacqueline
Edalati, Kaveh
Chemical Physics
Materials Science
The formation of green energy carriers such as hydrogen (H2) and methane (CH4) via photocatalytic processes provides a clean method for addressing environmental and energy issues. To achieve highly efficient photocatalysts for H2 and CH4 generation, the present work introduces the P/N heterojunctions in a high-entropy oxide (HEO) with d0/d10 electronic junctions. The study uses CuO as a P-type semiconductor and the HEO containing d0 (Ti, Zr, Nb, Ta) and d10 (Zn) cations as an N-type semiconductor. The material exhibits improvements in optical properties, such as light absorption, charge mobility and reduced electron-hole recombination. The integration of two concepts, atomic-scale d0/d10 electronic junctions and micro-scale P/N heterojunctions, leads to enhanced H2 and CH4 production. Particularly after the partial removal of vacancies in the heterojunction, H2 production from photocatalytic water splitting reaches 0.71 mmol/g.h, and CH4 evolution from CO2 conversion reaches 2.40 umol/g.h with 72% selectivity for methanation. The integrated strategy of this study has a high potential in developing active heterostructured catalysts for clean fuel production.
title Boosting hydrogen and methane formation on a high-entropy photocatalyst by integrating atomic d0/d10 electronic junctions and microscopic P/N heterojunctions
topic Chemical Physics
Materials Science
url https://arxiv.org/abs/2508.01963