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Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study.

紀錄類型:	書目-語言資料,手稿 : Monograph/item
正題名/作者:	Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study./
作者:	Xiong, Xiaolei.
面頁冊數:	1 online resource (189 pages)
附註:	Source: Dissertation Abstracts International, Volume: 78-11(E), Section: B.
標題:	Materials science. -
電子資源:	click for full text (PQDT)
ISBN:	9780355071320

Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study.
Xiong, Xiaolei.

Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study. - 1 online resource (189 pages)

Source: Dissertation Abstracts International, Volume: 78-11(E), Section: B.

Thesis (Ph.D.)--University of South Carolina, 2017.

Includes bibliographical references

Recent research of Solid oxide fuel cells (SOFCs) is aimed to lower the operating temperature to an intermediate temperature (IT) range of 500 to 700°C, while maintaining a proper performance. This Ph.D. research project investigates the promotional effects of alkaline carbonate eutectics on the proton conductivity of proton conducting electrolytes and cathodic ORR reactivity in SOFCs by both experimental and computational methods.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2018

Mode of access: World Wide Web

ISBN: 9780355071320Subjects--Topical Terms:

557839
Materials science.
Index Terms--Genre/Form:

554714
Electronic books.

Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study.
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245 1 0 $a Promotional Effect of Molten Carbonates on Proton Conductivity and Oxygen Reduction Reaction - an Experimental and Computational Study.
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300 $a 1 online resource (189 pages)
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500 $a Source: Dissertation Abstracts International, Volume: 78-11(E), Section: B.
500 $a Adviser: Kevin Huang.
502 $a Thesis (Ph.D.)--University of South Carolina, 2017.
504 $a Includes bibliographical references
520 $a Recent research of Solid oxide fuel cells (SOFCs) is aimed to lower the operating temperature to an intermediate temperature (IT) range of 500 to 700°C, while maintaining a proper performance. This Ph.D. research project investigates the promotional effects of alkaline carbonate eutectics on the proton conductivity of proton conducting electrolytes and cathodic ORR reactivity in SOFCs by both experimental and computational methods.
520 $a The ionic conductivity of the MC-BZY composite above 500°C increases with the higher loading of MC. The sample exhibited nearly a factor of two higher conductivity in H2-containing atmosphere than in air. First-principles DFT modeling further investigated proton transfer at the interface of BaZrO 3 and molten carbonate. With the presence of carbonate ion, the energy barrier for proton migration becomes as low as 0.332 eV. The modeling indicates the reduction of energy barrier is resulted from the change of rate-determining step from proton transfer between oxygen atoms to proton rotation around oxygen atom.
520 $a Infiltration of MC into porous cathode can reduce the polarization of resistance (Rp), i.e., enhance the oxygen reduction reaction (ORR) activity. The EIS analysis shows that MC has a beneficial effect on reducing Rp for different cathodes including Au, La0.8Sr 0.2MnO3-delta(LSM), La0.6Sr0.4Co 0.2Fe0.8O3-delta(LSCF) and La2NiO 4+delta (LNO). Specifically, the study on MC loading effect was carried out on LSCF cathode. It shows that a higher loading makes a greater reduction on Rp and the degree of reduction is the same from 500 to 600°C. As the loading increases to 1.4 wt%, the degree of Rp reduction tends to reach a limit. First-principles DFT modeling was further used to investigate the incorporation of oxygen into MC. The formation of CO 52- in molten carbonate was considered as a chemisorption of gas oxygen on the surface of MC infiltrated cathodes. After the formation of CO52-, it reacts with another CO3 2- to form two CO42-, which is a rate-limiting step on potential energy surface. After dissociation, oxygen atoms migrate in molten carbonate, which is energetically favor by intermolecular pathways. An O-O-O linkage is formed between carbonate ions, which facilitates the oxygen migration between carbonate ions.
533 $a Electronic reproduction. $b Ann Arbor, Mich. : $c ProQuest, $d 2018
538 $a Mode of access: World Wide Web
650 4 $a Materials science. $3 557839
655 7 $a Electronic books. $2 local $3 554714
690 $a 0794
710 2 $a ProQuest Information and Learning Co. $3 1178819
710 2 $a University of South Carolina. $b Mechanical Engineering. $3 845621
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10257367 $z click for full text (PQDT)