Titre :

Solar-Driven Ammonia Production through Engineering of the Electronic Structure of a Zr-Based MOF

Auteur(s) :

Shokouhfar, Nasrin [Auteur]
Kilaparthi, Sravan Kumar [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Barras, Alexandre [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Abraham, B. Moses [Auteur]
Addad, Ahmed [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Roussel, Pascal [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Bhatt, Sakshi [Auteur]
Jain, Suman Lata [Auteur]
Szunerits, Sabine [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Morsali, Ali [Auteur]
Tarbiat Modares University [Tehran]
Boukherroub, Rabah [Auteur]
NanoBioInterfaces - IEMN [NBI - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]

Titre de la revue :

INORGANIC CHEMISTRY

Nom court de la revue :

Inorg Chem

Éditeur :

American Chemical Society

Date de publication :

2024-01-25

ISSN :

0020-1669

Discipline(s) HAL :

Physique [physics]
Sciences de l'ingénieur [physics]

Résumé en anglais : [en]

As a hydrogen carrier and a vital component in fertilizer production, ammonia (NH3) is set to play a crucial role in the planet’s future. While its industrial production feeds half of the global population, it uses fossil ...
Lire la suite >As a hydrogen carrier and a vital component in fertilizer production, ammonia (NH3) is set to play a crucial role in the planet’s future. While its industrial production feeds half of the global population, it uses fossil fuels and emits greenhouse gases. To tackle this issue, photocatalytic nitrogen fixation using visible light is emerging as an effective alternative method. This strategy avoids carbon dioxide (CO2) emissions and harnesses the largest share of sunlight. In this work, we successfully incorporated a 5-nitro isophthalic acid linker into MOF-808 to introduce structural defects and open metal sites. This has allowed modulation of the electronic structure of the MOF and effectively reduced the band gap energy from 3.8 to 2.6 eV. Combination with g-C3N4 enhanced further NH3 production, as these two materials possess similar band gap energies, and g-C3N4 has shown excellent performance for this reaction. The nitro groups serve as acceptors, and their integration into the MOF structure allowed effective interaction with the free electron pairs on N–(C)3 in the g-C3N4 network nodes. Based on DFT calculations, it was concluded that the adsorption of N2 molecules on open metal sites caused a decrease in their triple bond energy. The modified MOF-808 showed superior performance compared with the other MOFs studied in terms of N2 photoreduction under visible light. This design concept offers valuable information about how to engineer band gap energy in MOF structures and their combination with appropriate semiconductors for solar-powered photocatalytic reactions, such as N2 or CO2 photoreduction.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois

Collections :

• Institut d'Électronique, de Microélectronique et de Nanotechnologie (IEMN) - UMR 8520
• Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
• Unité Matériaux et Transformations (UMET) - UMR 8207

Équipe(s) de recherche :

Matériaux inorganiques, structures, systèmes et propriétés (MISSP)

Date de dépôt :

2024-01-31T06:10:09Z
2024-02-12T16:03:01Z