Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution
Summary: Calcium is one of the most abundant and cheapest elements on earth. However, due to the lack of d-orbitals for chemical adsorption, it is generally considered as a stoichiometric reagent with no catalytic activities in heterogeneous catalysis. In this research, we have revealed that atomica...
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| Format: | Article |
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Elsevier
2021-07-01
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| Series: | iScience |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2589004221006969 |
| _version_ | 1819073581990019072 |
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| author | Jie Sun Suchun Li Qi Zhao Cunping Huang Qiang Wu Wei Chen Qunjie Xu Weifeng Yao |
| author_facet | Jie Sun Suchun Li Qi Zhao Cunping Huang Qiang Wu Wei Chen Qunjie Xu Weifeng Yao |
| author_sort | Jie Sun |
| collection | DOAJ |
| description | Summary: Calcium is one of the most abundant and cheapest elements on earth. However, due to the lack of d-orbitals for chemical adsorption, it is generally considered as a stoichiometric reagent with no catalytic activities in heterogeneous catalysis. In this research, we have revealed that atomically confined Ca in nitrogen-doped graphene (Ca1-NG) can be an effective heterogeneous catalyst to boost both electrocatalytic and photocatalytic hydrogen evolution reactions (HER). Ca single atoms anchored in NG can efficiently enhance the HER performance due to the improvement of the interfacial charge transfer rate and suppression of the photo-generated charge recombination. Density functional theory calculations show that the high catalytic activity of Ca1-NG results from the Ca single atoms in NG, which leads to multiple H adsorption configurations with favorable ΔGH∗ values for HER. This research can be valuable for the designing of environmentally friendly, economical and efficient catalysts for renewable hydrogen production. |
| first_indexed | 2024-12-21T17:55:54Z |
| format | Article |
| id | doaj.art-15f4558a4fae463d94ac847b3cb4319d |
| institution | Directory Open Access Journal |
| issn | 2589-0042 |
| language | English |
| last_indexed | 2024-12-21T17:55:54Z |
| publishDate | 2021-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | iScience |
| spelling | doaj.art-15f4558a4fae463d94ac847b3cb4319d2022-12-21T18:55:13ZengElsevieriScience2589-00422021-07-01247102728Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolutionJie Sun0Suchun Li1Qi Zhao2Cunping Huang3Qiang Wu4Wei Chen5Qunjie Xu6Weifeng Yao7Shanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental & Chemical Engineering, Shanghai University of Electric Power, No.2588 Changyang Road, Yangpu District, Shanghai, 200090, PR ChinaDepartment of Physics and John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, USAShanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental & Chemical Engineering, Shanghai University of Electric Power, No.2588 Changyang Road, Yangpu District, Shanghai, 200090, PR China; Center of Super-Diamond and Advanced Films (COSDAF) and Department of Chemistry, City University of Hong Kong, Hong Kong SAR, 999077 P. R. ChinaAviation Fuels Research Laboratory, Federal Aviation Administration William J. Hughes Technical Center, Atlantic City International Airport, NJ 08405, USAShanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental & Chemical Engineering, Shanghai University of Electric Power, No.2588 Changyang Road, Yangpu District, Shanghai, 200090, PR ChinaDepartment of Physics and John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, USAShanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental & Chemical Engineering, Shanghai University of Electric Power, No.2588 Changyang Road, Yangpu District, Shanghai, 200090, PR China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200090, PR China; Shanghai Engineering Research Center of Heat-exchange System and Energy Saving, Shanghai University of Electric Power, Shanghai 200090, PR ChinaShanghai Key Laboratory of Materials Protection and Advanced Materials in Electric Power, College of Environmental & Chemical Engineering, Shanghai University of Electric Power, No.2588 Changyang Road, Yangpu District, Shanghai, 200090, PR China; Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200090, PR China; Shanghai Engineering Research Center of Heat-exchange System and Energy Saving, Shanghai University of Electric Power, Shanghai 200090, PR China; Corresponding authorSummary: Calcium is one of the most abundant and cheapest elements on earth. However, due to the lack of d-orbitals for chemical adsorption, it is generally considered as a stoichiometric reagent with no catalytic activities in heterogeneous catalysis. In this research, we have revealed that atomically confined Ca in nitrogen-doped graphene (Ca1-NG) can be an effective heterogeneous catalyst to boost both electrocatalytic and photocatalytic hydrogen evolution reactions (HER). Ca single atoms anchored in NG can efficiently enhance the HER performance due to the improvement of the interfacial charge transfer rate and suppression of the photo-generated charge recombination. Density functional theory calculations show that the high catalytic activity of Ca1-NG results from the Ca single atoms in NG, which leads to multiple H adsorption configurations with favorable ΔGH∗ values for HER. This research can be valuable for the designing of environmentally friendly, economical and efficient catalysts for renewable hydrogen production.http://www.sciencedirect.com/science/article/pii/S2589004221006969chemical engineeringcatalysiselectrochemistry |
| spellingShingle | Jie Sun Suchun Li Qi Zhao Cunping Huang Qiang Wu Wei Chen Qunjie Xu Weifeng Yao Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution iScience chemical engineering catalysis electrochemistry |
| title | Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| title_full | Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| title_fullStr | Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| title_full_unstemmed | Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| title_short | Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| title_sort | atomically confined calcium in nitrogen doped graphene as an efficient heterogeneous catalyst for hydrogen evolution |
| topic | chemical engineering catalysis electrochemistry |
| url | http://www.sciencedirect.com/science/article/pii/S2589004221006969 |
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