Work

The speciation of phosphates adsorbed on γ-alumina revealed by 31 P NMR, AIMD and machine learning

Year: 2025

Type: article

Abstract: Ab initio molecular dynamics and machine learning are used to unravel the experimental 1D 31 P NMR spectra of phosphates catalytic additives adsorbed on the γ-alumina support.

Source: Catalysis Science & Technology

DOI: 10.1039/d4cy01152j

Authors: Adrian Hühn, Tao Jiang, Manuel Corral Valero, Mickaël Rivallan, Anne Lesage, Carine Michel, Pascal Raybaud

Institutions: École Normale Supérieure de Lyon, Centre National de la Recherche Scientifique, Laboratoire de Chimie, IFP Énergies nouvelles, Lyon 1 Université, Université de Lyon, Centre de RMN à Très Hauts Champs de Lyon

Language: English

Topic: Zeolite Catalysis and Synthesis

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: bronze

Funders: Agence Nationale de la Recherche, IFP Energies Nouvelles, Commissariat Général à l'Investissement, Grand Équipement National De Calcul Intensif

Awards: G2418904852, G2451539070, G4774453313, IDEXLYON

OpenAlex ID: W4406146136

FWCI: 0.639

Cites: 46

Cited by: 3

Related to: 10