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COMPUTATIONAL DENSITY FUNCTIONAL THEORY (DFT) APPROACH ON SMART CATALYSTS UTILIZED IN FUEL CELL TECHNOLOGY
Saveetha Univ, Saveetha Sch Engn, Dept Elect & Commun Engn, Chennai, Tamil Nadu, India..
Sch Mech & Business Sci, VIT Chennai Campus, Chennai, Tamil Nadu, India..
KTH.
2018 (English)In: The IIOAB Journal, ISSN 0976-3104, Vol. 9, p. 14-17Article in journal (Refereed) Published
Abstract [en]

Concepts of nanotechnology are utilized in numerous fields. Sustainable or non-conventional source of power is one area in which this smart technology is widely applied. The catalytic property of nanomaterials in Fuel Cell Technology (FCT) is worth mentioning as it would increase efficiency to a great extent. In this work, Monte-Carlo calculations are carried out to check the adsorption of OH-molecule on various platinum catalysts doped with Ru, W, Co and Pd. The catalyst was then made to adsorb on two separate amorphous carbon blocks that acted as cathode and anode respectively. The Membrane Electrode Assembly (MEA) of the fuel cell was made with nafion membrane and Co-doped Pt electrodes. Adsorption of OH- molecule on the final restructured MEA of the fuel cell was studied.

Place, publisher, year, edition, pages
INST INTEGRATIVE OMICS & APPLIED BIOTECHNOLOGY , 2018. Vol. 9, p. 14-17
Keywords [en]
Fuel Cell Technology (FCT), catalyst, Density Functional Theory (DFT), adsorption, cathode, anode, Membrane Electrode Assembly (MEA)
National Category
Other Chemical Engineering
Identifiers
URN: urn:nbn:se:kth:diva-230556ISI: 000433693000003OAI: oai:DiVA.org:kth-230556DiVA, id: diva2:1234305
Note

QC 20180724

Available from: 2018-07-24 Created: 2018-07-24 Last updated: 2018-07-24Bibliographically approved

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