A Data-Driven Search of Two-Dimensional Covalent Organic Frameworks for Visible-Light-Driven Overall Water Splitting
Source abstract
Abstract
Two-dimensional (2D) covalent organic frameworks (COFs) with versatile structural and optoelectronic properties that can be tuned with building blocks and topological structures have received widespread attention for photocatalytic water splitting in recent years. However, few of these have been reported for overall water splitting under visible light. Here, we present a data-driven search of 2D COFs capable of visible-light-driven overall water splitting by combining high-throughput first-principles computations and experimental validations. Seven 2D COFs were identified to be capable of overall water splitting from the CoRE COF database, and their photocatalytic activities were further verified and optimized by our preliminary experiments. The production rates of H 2 and O 2 reached 80 and 32 μmol g –1 h –1, respectively, without using sacrificial agents. This work represents an attempt to explore 2D COFs for visible-light-driven overall water splitting with a data-driven approach that could accelerate the discovery and design of COFs toward photocatalytic overall water splitting.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Covalent Organic Framework Applications · Advanced Photocatalysis Techniques · Caching and Content Delivery
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute for Advanced Materials, School of Materials Science and Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China
School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang, Jiangsu 212013, China
Hefei National Laboratory for Physical Sciences at the Microscale, School of Chemistry and Material Sciences, CAS Key Laboratory of Materials for Energy Conversion, and CAS Center for Excellence in Nanoscience and Synergetic Innovation of Quantum Information and Quantum Technology, University of Science and Technology of China, Hefei, Anhui 230026, China
Funding
Ministry of Science and Technology of the People's Republic of China · Jiangsu University · Bureau of International Cooperation, Chinese Academy of Sciences · National Natural Science Foundation of China · Chinese Academy of Sciences · Fundamental Research Funds for the Central Universities
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