Catalyst design via descriptors

Frontiers DFT-assisted low-dimensional carbon-based electrocatalysts design and mechanism study: a review

Catalysis

Frontiers The Sabatier Principle in Electrocatalysis: Basics, Limitations, and Extensions

PDF) Material descriptors for photocatalyst/catalyst design

Articles in 2022 Nature Nanotechnology

Informatics for Catalysis Design

PDF] Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Addressing complexity in catalyst design: From volcanos and scaling to more sophisticated design strategies - ScienceDirect

Publications-Energy & Catalysis Adventure Team @ TJU

PDF] Predicting the performance of oxidation catalysts using descriptor models

Rational Design of PdAg Catalysts for Acetylene Selective Hydrogenation via Structural Descriptor-based Screening Strategy