Digging Its Own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst

A Rafsanjani-Abbasi, F Buchner, FJ Lewis… - ACS …, 2024 - ACS Publications
Determining the local coordination of the active site is a prerequisite for the reliable
modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powder …

Exploring inhomogeneous surfaces: Ti-rich SrTiO 3 (110) reconstructions via active learning

R Wanzenböck, E Heid, M Riva, G Franceschi… - Digital discovery, 2024 - pubs.rsc.org
The investigation of inhomogeneous surfaces, where various local structures coexist, is
crucial for understanding interfaces of technological interest, yet it presents significant …

Machine-Learning-Backed Evolutionary Exploration of Ti-rich SrTiO3 (110) Surface Reconstructions

R Wanzenböck, E Heid, M Riva, G Franceschi, AM Imre… - 2024 - chemrxiv.org
The investigation of inhomogeneous surfaces, where various local structures co-exist, is
crucial for understanding interfaces of technological interest, yet it presents significant …

Exploring Inhomogeneous Surfaces: Evolutionary Exploration of Ti-rich SrTiO3 (110) Surface Reconstructions via Active Learning

R Wanzenböck, E Heid, M Riva, G Franceschi, AM Imre… - 2024 - chemrxiv.org
The investigation of inhomogeneous surfaces, where various local structures co-exist, is
crucial for understanding interfaces of technological interest, yet it presents significant …