Zhangyun Liu

An accurate single descriptor for ion–π interactions

Jinyang Xi, Xin Xu, Zhangyun Liu, 2020, National science review.

Accurate descriptions of molecule-surface interactions in electrocatalytic CO2 reduction on the copper surfaces

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Nature Communications.

Coverage-Dependent Microkinetics in Heterogeneous Catalysis Powered by the Maximum Rate Analysis

Xin Xu, Zhangyun Liu, Zheng Chen, 2021, ACS Catalysis.

Theoretical analysis of an anion-π complex: I−·C6F6

Xin Xu, Zhangyun Liu, Zheng Chen, 2020, Chinese Journal of Chemical Physics.

Dynamic and Intermediate-Specific Local Coverage Controls the Syngas Conversion on Rh(111) Surfaces: An Operando Theoretical Analysis

Xin Xu, Zhangyun Liu, Zheng Chen, 2021 .

Dynamic evolution of the active center driven by hemilabile coordination in Cu/CeO2 single-atom catalyst

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Nature communications.

Efficient Epoxidation over Faujasite Zeolites: Unprecedented O2 Cooperative Activation by Co(II)–Ba(II) Cation Pair Sites Confined in the Supercage

Yahong Zhang, Xin Xu, Zhangyun Liu, 2023, ACS Catalysis.

Accurate descriptions of molecule-surface interactions for understanding CO2 capture by MgO-based sorbents in wet conditions

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Carbon Capture Science & Technology.