Work

Predictive Design of Single-Atom Catalysts for Ethane Dehydrogenation: A DFT-ML-Experimental Approach to Optimize Metal Identity and Its Coordination Environment

Year: 2026

Type: article

Source: ACS Catalysis

DOI: 10.1021/acscatal.6c04430

Authors: Yajie Cao, Zhongkui Zhao, Shaojia Song, Lixia Ling, Yuhan Wang, Maohong Fan, Riguang Zhang

Institutions: Taiyuan University of Technology, Dalian University of Technology, Shanxi University, University of Wyoming, Georgia Institute of Technology

Language: English

Topic: Catalysis and Oxidation Reactions

Subfield: Catalysis

Field: Chemical Engineering

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, National Science and Technology Major Project

Awards: G4290014275, G5735636961, G7827819784, G8890065087

OpenAlex ID: W7172437377

FWCI:

Cites: 61

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