SULPHURREAL
Published September 30, 2024 | Version 1.2
Project deliverable Open

SULPHURREAL D2.1 – Computationally screened shortlisted sulphur trioxide splitting (STS) oxide catalysts

Description

Reports a DFT study of the SO₃ splitting mechanism on metal oxide catalysts and the development of a materials screening platform. Over 1,000 materials were evaluated thermodynamically under two operating scenarios, producing a shortlist of 50 candidates benchmarked against V₂O₅ and Fe₂O₃ on reaction energetics and cost. Eight of them were selected for experimental synthesis and testing.

Files

d2.1-computationally-screened-shortlisted-sulphur-trioxide-splitting-STS-oxide-catalysts.pdf

Files (1.2 MB)

Additional details

Funding

European Commission
SULPHURREAL - An innovative thermochemical cycle based on solid sulphur for integrated long-term storage of solar thermal energy 101115538

Dates

Created
2024-09-23
1.0
Updated
2024-09-28
1.1
Updated
2024-09-30
1.2