Harnessing spin effects for heterogeneous single-atom spin catalysis.

Xu HanJinxing ChenPeng HeJiong Lu

Published in: National science review (2024)

This perspective explores detailed structural design and strategies for spin regulation in single-atom spin catalysis, enabling unparalleled efficiency in chemical transformations through the harnessing of spin effects combined with atomic precision of active sites.

Keyphrases

room temperature
density functional theory
single molecule
molecular dynamics
transition metal
big data
machine learning
ionic liquid
deep learning