Unveiling the electrocatalytic potential of main-group metal-doped blue phosphorene for oxygen and hydrogen evolution reactions through a computational study
Literature Information
Hao Hu, Yang-Chun Yong, Peng Zhang, Wei Tang, Bei-Bei Xiao, Jian-Li Mi
The large-scale application of water electrolysis requires high-efficiency and low-cost electrocatalysts for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). A systematic investigation using first principles calculations has explored the electrocatalytic potential of eleven main-group metal-doped blue phosphorenes (M-BPs) for the OER and HER. Sb-BP and Sn-BP exhibit remarkable OER activity, while Be-BP and Al-BP show promising HER activity. Sb, Be dual-doped BP (SbBe-BP) shows exceptional bifunctional OER/HER performance, with overpotentials of only 0.21/0.02 V, stemming from the synergistic effects of Sb, Be dual-doping and the cooperative interaction between the metal dopants and the substrate. Moreover, graphene functions as a conductive substrate, enhancing the conductivity of Sb-BP, Be-BP, and SbBe-BP via the creation of van der Waals (vdW) heterojunctions, while preserving their catalytic activities, thus paving the way for practical application of main-group metal-doped BP in water electrolysis. Notably, it is found that the adsorption of reaction intermediates can modulate the interlayer coupling strength of vdW heterojunctions, thereby influencing the adsorption free energy of reaction intermediates. This finding offers a distinct perspective to further our comprehension of the catalytic activity of vdW heterojunctions.
Related Literature
You might also like
What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?
When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...
Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?
4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...
How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?
Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...
What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?
5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...
How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?
Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...
What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?
4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...
How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?
Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...
What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?
6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...
Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?
(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...
What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?
7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....
Source Journal
Journal of Materials Chemistry A

Journal of Materials Chemistry A, B & C cover high quality studies across all fields of materials chemistry. The journals focus on those theoretical or experimental studies that report new understanding, applications, properties and synthesis of materials. The journals have a strong history of publishing quality reports of interest to interdisciplinary communities and providing an efficient and rigorous service through peer review and publication. The journals are led by an international team of Editors-in-Chief and Associate Editors who are all active researchers in their fields. Journal of Materials Chemistry A, B & C are separated by the intended application of the material studied. Broadly, applications in energy and sustainability are of interest to Journal of Materials Chemistry A, applications in biology and medicine are of interest to Journal of Materials Chemistry B, and applications in optical, magnetic and electronic devices are of interest to Journal of Materials Chemistry C. More than one Journal of Materials Chemistry journal may be suitable for certain fields and researchers are encouraged to submit their paper to the journal that they feel best fits for their particular article. Example topic areas within the scope of Journal of Materials Chemistry A are listed below. This list is neither exhaustive nor exclusive. Artificial photosynthesis Batteries Carbon dioxide conversion Catalysis Fuel cells Gas capture/separation/storage Green/sustainable materials Hydrogen generation Hydrogen storage Photocatalysis Photovoltaics Self-cleaning materials Self-healing materials Sensors Supercapacitors Thermoelectrics Water splitting Water treatment














![2-Bromodibenzo[b,d]furan structure 2-Bromodibenzo[b,d]furan structure](https://static.chemtradehub.com/structs/86-/86-76-0-1814.webp)