A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction

Literature Information

Publication Date 2015-04-17
DOI 10.1039/C5CP01384D
Impact Factor 3.676
Authors

Ralph Koitz


View Original

Abstract

Surfaces that efficiently catalyse the oxygen reduction reaction (ORR) are highly desirable for applications in energy utilization. Here, we computationally investigate the ORR on hexagonal boron nitride (h-BN) supported on Ni, Cu, and Co. We find a significant influence of the metal on the reaction energetics. In particular, h-BN/Cu is predicted to catalyse the ORR with a low overpotential, while on the other substrates the reaction is impeded by the formation of too stable surface hydroxyl species. Our results highlight trends in the reactivity of these heterostructures and may guide further rational design of O2-activating catalysts based on supported h-BN.

Related Literature

Linking crystal structure with temperature-sensitive vibrational modes in calcium carbonate minerals

Ben Xu, Kristin M. Poduska

2014-07-08 Paper

DOI: 10.1039/C4CP01772B

Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)]+/C3H8‡

Xiao-Nan Wu, Hai-Tao Zhao, Jilai Li, Maria Schlangen, Helmut Schwarz

2014-09-12 Paper

DOI: 10.1039/C4CP02139H

Orientation effects in morphology and electronic properties of anatase TiO2 one-dimensional nanostructures. I. Nanowires

Dmitri B. Migas, Andrew B. Filonov, Victor E. Borisenko

2014-03-26 Paper

DOI: 10.1039/C3CP54988G

Particle aggregation mechanisms in ionic liquids

Istvan Szilagyi, Tamas Szabo, Anthony Desert, Gregor Trefalt, Tamas Oncsik, Michal Borkovec

2014-04-07 Paper

DOI: 10.1039/C4CP00804A

Trade-offs of the opto-electrical properties of a-Si:H solar cells based on MOCVD BZO films

Ze Chen, Xiao-dan Zhang, Jun-hui Liang, Jia Fang, Xue-jiao Liang, Jian Sun, De-kun Zhang, Xin-liang Chen, Qian Huang, Ying Zhao

2014-10-22 Paper

DOI: 10.1039/C4CP04066J

Copper clusters as novel fluorescent probes for the detection and photocatalytic elimination of lead ions

M. A. López-Quintela

2014-08-01 Communication

DOI: 10.1039/C4CP02148G

The role of an active site Mg2+ in HDV ribozyme self-cleavage: insights from QM/MM calculations

Vojtěch Mlýnský, Nils G. Walter

2014-11-12 Paper

DOI: 10.1039/C4CP03857F

Band gap grading and photovoltaic performance of solution-processed Cu(In,Ga)S2 thin-film solar cells

So Hyeong Sohn, Noh Soo Han, Yong Jin Park, Seung Min Park, Dong-Wook Kim, Jae Kyu Song

2014-11-03 Paper

DOI: 10.1039/C4CP03243H

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.