Work

Computational insights into hydrogen adsorption energies on medium-entropy oxides

Year: 2025

Type: article

Abstract: A DFT and machine learning study of hydrogen adsorption on 2000 random surface configurations of a prototypical medium-entropy oxide reveals important local environment descriptors.

Source: Catalysis Science & Technology

DOI: 10.1039/d5cy00583c

Authors: Haohong Song, Vassiliki-Alexandra Glezakou, Zili Wu, De-En Jiang

Institutions: Vanderbilt University, Oak Ridge National Laboratory, Center for Nanophase Materials Sciences

Language: English

Topic: Electrocatalysts for Energy Conversion

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

Open Access status: hybrid

Funders: U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division

Awards: G1286236842, G1286251239, G2037563265, G30714459, G3083819904, G419881185, G42916606, G4501827968, G498139845, G650090426, G969889393

OpenAlex ID: W4412388673

FWCI: 0.426

Cites: 36

Cited by: 3

Related to: 10