Yulan Han, Jiayan Xu, Jiawei Wu, Chenyu Wu, Xiran Cheng, Wenbo Xie, Xiulian Pan, Xinhe Bao, P. Hu. "First Principles Identification of Active Sites in Heterogeneous Catalysis: A Case Study on Zn
                    <sub>x</sub>
                    Cr
                    <sub>y</sub>
                    O
                    <sub>z</sub>
                    for Syngas Conversion." Angewandte Chemie International Edition, 2026. doi:10.1002/anie.202522416