Journal Covers
Selected journal covers featuring research from the AI4Chem Group.
FRONT COVER · 2026
From adsorption to transport: Pd-decorated GeS for gas sensing
ACS Applied Nano Materials
Selected for a forthcoming issue
This front cover highlights a computational study linking gas adsorption on Pd-decorated GeS to electron transport under applied bias, connecting molecular interactions with electrical responses for sensing SF6 decomposition gases.
INSIDE BACK COVER · 2026
Proton-affinitive interfaces for alkaline Fenton-like oxidation
Advanced Functional Materials
Early View · Published online 3 September 2026
This inside back cover highlights how proton-affinitive fluorinated Fe–N–C interfaces use phenolic pollutants as in situ proton–electron donors, creating a localized proton-enriched microenvironment that activates peroxymonosulfate and enables efficient Fenton-like oxidation under alkaline conditions.
FRONT COVER · 2025
Machine learning and nitrogen reduction reaction
Materials Chemistry Frontiers
Volume 9, Issue 11 · 7 June 2025
This front cover highlights our charge-state-aware computational and machine-learning framework for discovering transition-metal-doped C3B electrocatalysts for nitrogen reduction.