Rational design of a carbon/potassium poly(heptazine imide) heterojunction for enhanced photocatalytic H2 and H2O2 evolution

Pelicano, Christian Mark; Li, Jiaxin; Cabrero-Antonino, María; Silva, Ingrid F.; Peng, Lu; Tarakina, Nadezda V.; Navalón, Sergio; García, Hermenegildo; Antonietti, Markus

doi:10.1039/d3ta05701a

Cited by 13 publications

(6 citation statements)

References 44 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Section: Application Of Metal Poly(heptazine Imides) In Photocatalyti...mentioning

confidence: 99%

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Pelicano,

Antonietti

2024

Angew Chem Int Ed

Self Cite

View full text Add to dashboard Cite

Solar‐driven photocatalysis employing particulate semiconductors represents a promising approach for sustainable production of valuable chemical feedstock. Metal poly(heptazine imide) (MPHI), a novel 2D ionic carbon nitride, has been recognized as an emerging photocatalyst with distinctive properties. In this minireview, we first delineate the forefront innovations of MPHI photocatalysts, spanning from synthetic strategies and solving structures to the exploration of novel properties. We place special emphasis on the structural design principles aimed at developing high‐performance MPHI systems toward photocatalytic solar fuel production such as H2 evolution, H2O oxidation, H2O2 production and CO2 reduction. Finally, we discuss crucial insights and challenges in leveraging highly active MPHIs for efficient solar‐to‐chemical energy conversion.

show abstract

Section: Application Of Metal Poly(heptazine Imides) In Photocatalyti...mentioning

confidence: 99%

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Pelicano,

Antonietti

2024

Angew Chem Int Ed

Self Cite

View full text Add to dashboard Cite

show abstract

“…Developing energy conversion and storage technologies based on sustainable power sources has become an increasingly urgent issue to address the ever‐increasing global energy demand [1–4] . Among others, promising alternative energy systems include rechargeable metal–air batteries with high energy densities, and H 2 O electrolyzers for producing H 2 [5,6] .…”

Section: Introductionmentioning

confidence: 99%

“…Developing energy conversion and storage technologies based on sustainable power sources has become an increasingly urgent issue to address the ever-increasing global energy demand. [1][2][3][4] Among others, promising alternative energy systems include rechargeable metal-air batteries with high energy densities, and H 2 O electrolyzers for producing H 2 . [5,6] Conversely, the industrial implementation and efficiencies of these electrochemical technologies are hindered by the slow kinetics of the oxygen evolution reaction (OER).…”

Section: Introductionmentioning

confidence: 99%

Understanding the Performance of (Ni−Fe−Co−Ce)O_x‐Based Water Oxidation Catalysts via Explainable Artificial Intelligence Framework

Rossener Regonia,

Pelicano

2024

ChemElectroChem

Self Cite

View full text Add to dashboard Cite

Among the most active oxygen evolution reaction (OER) catalysts, mixed metal oxides based on Ni, Fe, and Co metals are recognized as economical yet excellent replacements for RuO2 and IrOx. However, tuning and searching for optimal compositions of multi–element–compound electrocatalysts is a big challenge in catalysis research. Conventional materials screening experiments and theoretical simulations are labor–intensive and time–consuming. Machine learning offers a promising paradigm for accelerating electrocatalyst research and simultaneously understanding composition–activity correlation. Herein, we introduce an Explainable AI (XAI) framework for predicting the electrocatalytic performance of OER catalysts. By integrating the robust Random Forest (RF) model for machine learning with the Shapley Additive Explanations (SHAP) method for model explanation, we achieved accurate predictions of the overpotential for various compositions of (Ni−Fe−Co−Ce)Ox catalysts (R2=0.8221). More importantly, we obtained valuable insights into how each metal and their interactions influence the overpotential of the catalysts. Our results highlight the versatility of the RF model with SHAP in identifying the optimal composition of (Ni−Fe−Co−Ce)Ox catalysts for electrocatalytic oxygen evolution, showing its potential applicability across various catalyst synthesis methods. Finally, we anticipate that this work will lead to exciting possibilities in designing highly active multi–element compound electrocatalysts with the aid of explainable AI.

show abstract

“…Various semiconductor photocatalysts have been developed and applied in environmental remediation and energy catalysis including transition metal oxides (TiO 2 , ZnO, Fe 2 O 3 ), sulfides (ZnS, CdS, MoS 2 ), carbon nitrides (g-C 3 N 4 ), oxysulfides (MoCuOS), oxynitrides (TaON), SrTiO 3 , and vanadates (BiVO 4 ) [ 3 , 10 , 11 , 12 , 13 , 14 ]. Every material has its own merits and demerits.…”

Section: Introductionmentioning

confidence: 99%

“…The products obtained by this method are environmentally friendly, carbon-free, and have a high calorific value. As solar energy consists of 40% visible light, in Nanomaterials 2024, 14, 492 2 of 17 order to utilize it properly, semiconductors with a controlled electronic structure, a lattice structure, and high photocatalytic performance need to be developed [10].…”

Section: Introductionmentioning

confidence: 99%

Efficient Zinc Vanadate Homojunction with Cadmium Nanostructures for Photocatalytic Water Splitting and Hydrogen Evolution

Hasan,

El Marghany,

Abduh

et al. 2024

Nanomaterials

View full text Add to dashboard Cite

Construction of a homojunction is an effective strategy for effective charge transfer to suppress charge carrier recombination in augmented photocatalysis. The present work reveals the synthesis of homojunction formation through the reinforcement of Cd nanostructures into a solid lattice of zinc vanadate (Zn3V2O8, ZnV) using the hydrothermal method. The formation of a homojunction between cadmium vanadate (CdV, Cd3V2O8) and ZnV was confirmed by various spectroscopic and electron microscopic techniques such as Fourier-transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) associated with energy-dispersive X-ray (EDX) mapping, transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet–visible spectrophotometry (UV–Vis). The synthesized material was explored for photocatalytic hydrogen (PC H2) production using the water splitting process under visible-light illumination. The spectroscopic and experimental results revealed that the formation of a CdV/ZnV homojunction significantly improved the transport of photogenerated charge carriers (electron–hole pairs) and thus resulted in enhanced H2 production efficiency (366.34 μmol g−1 h−1) as compared to pristine ZnV (229.09 μmol g−1 h−1) and CdV (274.91 μmol g−1 h−1) using methanol as a sacrificial reagent (SR) with water under visible-light illumination. The synergistic effect of Cd on ZnV NPs resulted in band gap reduction and broadened visible light absorption which was attributed to enhanced H2 production. The current study explains how a homojunction affects various features of important factors behind photocatalytic activity, which supports significant insights into the advancement of materials in the future.

show abstract

Rational design of a carbon/potassium poly(heptazine imide) heterojunction for enhanced photocatalytic H₂ and H₂O₂ evolution

Abstract: We construct a carbon/KPHI heterostructure for high-performance photocatalytic H2 and H2O2 evolution. The optimal 0.3Ad/KPHI hybrid showed an outstanding H2 evolution rate of 738 μmol h−1 gcat−1 and H2O2 production rate of 3.94 mmol h−1 gcat−1.

Cited by 13 publications

References 44 publications

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Understanding the Performance of (Ni−Fe−Co−Ce)O_x‐Based Water Oxidation Catalysts via Explainable Artificial Intelligence Framework

Efficient Zinc Vanadate Homojunction with Cadmium Nanostructures for Photocatalytic Water Splitting and Hydrogen Evolution

Contact Info

Product

Resources

About

Rational design of a carbon/potassium poly(heptazine imide) heterojunction for enhanced photocatalytic H2 and H2O2 evolution

Abstract: We construct a carbon/KPHI heterostructure for high-performance photocatalytic H2 and H2O2 evolution. The optimal 0.3Ad/KPHI hybrid showed an outstanding H2 evolution rate of 738 μmol h−1 gcat−1 and H2O2 production rate of 3.94 mmol h−1 gcat−1.

Cited by 13 publications

References 44 publications

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Metal Poly(heptazine imides) as Multifunctional Photocatalysts for Solar Fuel Production

Understanding the Performance of (Ni−Fe−Co−Ce)Ox‐Based Water Oxidation Catalysts via Explainable Artificial Intelligence Framework

Efficient Zinc Vanadate Homojunction with Cadmium Nanostructures for Photocatalytic Water Splitting and Hydrogen Evolution

Contact Info

Product

Resources

About

Rational design of a carbon/potassium poly(heptazine imide) heterojunction for enhanced photocatalytic H₂ and H₂O₂ evolution

Understanding the Performance of (Ni−Fe−Co−Ce)O_x‐Based Water Oxidation Catalysts via Explainable Artificial Intelligence Framework