DFT Investigation for Better Efficiency of Fuel Cells in Presence of Nitrogen Containing Graphene sheets as Catalysts

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Rafiee Marjan; Amini Parvane; Mozaffari Shahla; Ordukhanian Juliet

Educational Videos and Scientific Workshops

Scientific Information Database

ISSN: 2588-4824

Journal Paper

Paper Information

Journal: Iranian Journal of Analytical Chemistry Year:2022 | Volume:9 | Issue:1 Page(s): 50-55

Download Full-Text

Persian Verion

View:

Download:

Cites:

Information Journal Paper

Title

DFT Investigation for Better Efficiency of Fuel Cells in Presence of Nitrogen Containing Graphene sheets as Catalysts

Author(s)

Rafiee Marjan | Amini Parvane | Mozaffari Shahla | Ordukhanian Juliet | Issue Writer Certificate

Keywords

Fuel CellQ4

Nitrogen-Containing Graphene SheetsQ4

catalystQ4

NQR SpectroscopyQ4

Abstract

Fuel Cells can directly convert chemical energy into electric energy with high conversion eﬃciency and no pollution. Among many factors aﬀecting the chemical-electrical energy conversion, oxygen reduction reaction (ORR) on cathode is the pivot in Fuel Cell. This reaction is a kinetically slow process, which dominates the overall performance of a Fuel Cell. The ORR can proceed through two ways. One is a direct four-electron pathway, in which O2 is reduced directly to water without involvement of hydrogen peroxide. The other is a less eﬃcient two-step two-electron pathway in which hydrogen peroxide is formed as an intermediate. To achieve a high eﬃciency Fuel Cell, the four-electron pathway is expected to occur. Because the ORR process is very slow in nature, catalysts must be used to facilitate the four-electron pathway to boost the eﬃciency of Fuel Cells. Traditionally, such electro catalysts are platinum and its alloys, but they are expensive and susceptible to time-dependent drift and CO poisoning, which limits large-scale application of the Fuel Cell. There have been intensive research eﬀorts to reduce or replace Pt and Pt based alloys electrodes in Fuel Cell. In this work using calculated NMR and NQR parameters in some Nitrogen-Containing Graphene Sheets (with one or two nitrogen), the effect of nitrogen atom on charge density of carbon atoms was studied. The results showed that in the presence of nitrogen, charge density of some carbon atoms decreased and these atoms are better candidate as catalyst active site than pure graphene.

Cites

No record.

References

No record.

Cite

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops

Download

Move to top

وبگردی