Design Principles for Covalent Organic Frameworks as Efficient Electrocatalysts in Clean Energy Conversion and Green Oxidizer Production
Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF‐based electrocatalysts for oxygen reduction and evolution reactions...
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| Published in | Advanced materials (Weinheim) Vol. 29; no. 17 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
Germany
Wiley Subscription Services, Inc
01.05.2017
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0935-9648 1521-4095 1521-4095 |
| DOI | 10.1002/adma.201606635 |
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| Abstract | Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF‐based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal‐air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first‐principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze the direct production of H2O2, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production.
Covalent organic frameworks (COFs) hold potential for various applications. To rationally design COF‐based electrocatalysts, activity descriptors are identified with the first‐principle calculations. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze direct production of H2O2, a green oxidizer. The design principles provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. |
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| AbstractList | Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H
O
, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H2O2, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H2 O2 , a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production.Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF-based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal-air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first-principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline-earth metal-porphyrin COFs could catalyze the direct production of H2 O2 , a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF‐based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal‐air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first‐principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze the direct production of H2O2, a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. Covalent organic frameworks (COFs) hold potential for various applications. To rationally design COF‐based electrocatalysts, activity descriptors are identified with the first‐principle calculations. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze direct production of H2O2, a green oxidizer. The design principles provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as efficient electrocatalysts, photovoltaics, and sensors. To rationally design COF‐based electrocatalysts for oxygen reduction and evolution reactions in fuel cells and metal‐air batteries, activity descriptors, derived from orbital energy and bonding structures, are identified with the first‐principle calculations for the COFs, which correlate COF structures with their catalytic activities. The calculations also predict that alkaline‐earth metal‐porphyrin COFs could catalyze the direct production of H 2 O 2 , a green oxidizer and an energy carrier. These predictions are supported by experimental data, and the design principles derived from the descriptors provide an approach for rational design of new electrocatalysts for both clean energy conversion and green oxidizer production. |
| Author | Zhang, Lipeng Xia, Zhenhai Zhao, Zhenghang Lin, Chun‐Yu |
| Author_xml | – sequence: 1 givenname: Chun‐Yu surname: Lin fullname: Lin, Chun‐Yu organization: University of North Texas – sequence: 2 givenname: Lipeng surname: Zhang fullname: Zhang, Lipeng organization: University of North Texas – sequence: 3 givenname: Zhenghang surname: Zhao fullname: Zhao, Zhenghang organization: University of North Texas – sequence: 4 givenname: Zhenhai surname: Xia fullname: Xia, Zhenhai email: Zhenhai.xia@unt.edu organization: Beijing University of Chemical Technology |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/28230916$$D View this record in MEDLINE/PubMed |
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| Copyright | 2017 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim |
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| Keywords | catalysis covalent organic frameworks clean energy conversion oxygen reduction reaction green oxidizer |
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| Snippet | Covalent organic frameworks (COFs), an emerging class of framework materials linked by covalent bonds, hold potential for various applications such as... |
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| SubjectTerms | Catalysis Clean energy clean energy conversion Clean technology Covalence Covalent bonds covalent organic frameworks Electrocatalysts Fuel cells green oxidizer Materials science Mathematical analysis Metal air batteries oxygen reduction reaction Photovoltaic cells Reduction (metal working) Sensors Solar cells |
| Title | Design Principles for Covalent Organic Frameworks as Efficient Electrocatalysts in Clean Energy Conversion and Green Oxidizer Production |
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