Comparison of catalytic activity between Au(110) and Au(111) for the electro-oxidation of methanol and formic acid: Experiment and density functional theory calculation.
Saved in:
| Title: | Comparison of catalytic activity between Au(110) and Au(111) for the electro-oxidation of methanol and formic acid: Experiment and density functional theory calculation. |
|---|---|
| Authors: | Shen, Kechang1, Jia, Cungui1, Cao, Boxuan1, Xu, Hui1, Wang, Jin1, Zhang, Laichang2, Kim, Kibuem3, Wang, Weimin1 weiminw@sdu.edu.cn |
| Source: | Electrochimica Acta. Dec2017, Vol. 256, p129-138. 10p. |
| Subjects: | Catalytic activity, Gold nanoparticles, Electrolytic oxidation, Oxidation of methanol, Oxidation of formic acid, Density functional theory |
| Abstract: | The catalytic activities of Au(110) and Au(111) electrodes for the electro-oxidation of methanol (CH 3 OH) and formic acid (HCOOH) are compared by the cyclic voltammetry (CV) and density functional theory (DFT) calculations. The experimental results show that the Au(111) electrode exhibits a higher catalytic activity than Au(110) electrode for two tested electrolytes. The difference of oxide film formed on two electrode surfaces is indicated by the charge transfer rate constant ( k s ). The DFT calculated hybridization degree of Au 5d and O 2p electrons and amount of adsorption site of OH − anion give support to a higher catalytic activity of Au(111) electrode. The DFT calculated adsorption energy of OH − anion ( ε ads ) explains the different oxide amounts on two electrodes. These results suggest that the oxide formed on Au surface in CH 3 OH solution plays a different role in the electro-oxidation from that in HCOOH solution. [ABSTRACT FROM AUTHOR] |
| Copyright of Electrochimica Acta is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 126009891 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Comparison of catalytic activity between Au(110) and Au(111) for the electro-oxidation of methanol and formic acid: Experiment and density functional theory calculation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Shen%2C+Kechang%22">Shen, Kechang</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Jia%2C+Cungui%22">Jia, Cungui</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Cao%2C+Boxuan%22">Cao, Boxuan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Xu%2C+Hui%22">Xu, Hui</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Wang%2C+Jin%22">Wang, Jin</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Zhang%2C+Laichang%22">Zhang, Laichang</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Kim%2C+Kibuem%22">Kim, Kibuem</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Wang%2C+Weimin%22">Wang, Weimin</searchLink><relatesTo>1</relatesTo><i> weiminw@sdu.edu.cn</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Electrochimica+Acta%22">Electrochimica Acta</searchLink>. Dec2017, Vol. 256, p129-138. 10p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Catalytic+activity%22">Catalytic activity</searchLink><br /><searchLink fieldCode="DE" term="%22Gold+nanoparticles%22">Gold nanoparticles</searchLink><br /><searchLink fieldCode="DE" term="%22Electrolytic+oxidation%22">Electrolytic oxidation</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation+of+methanol%22">Oxidation of methanol</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation+of+formic+acid%22">Oxidation of formic acid</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The catalytic activities of Au(110) and Au(111) electrodes for the electro-oxidation of methanol (CH 3 OH) and formic acid (HCOOH) are compared by the cyclic voltammetry (CV) and density functional theory (DFT) calculations. The experimental results show that the Au(111) electrode exhibits a higher catalytic activity than Au(110) electrode for two tested electrolytes. The difference of oxide film formed on two electrode surfaces is indicated by the charge transfer rate constant ( k s ). The DFT calculated hybridization degree of Au 5d and O 2p electrons and amount of adsorption site of OH − anion give support to a higher catalytic activity of Au(111) electrode. The DFT calculated adsorption energy of OH − anion ( ε ads ) explains the different oxide amounts on two electrodes. These results suggest that the oxide formed on Au surface in CH 3 OH solution plays a different role in the electro-oxidation from that in HCOOH solution. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Electrochimica Acta is the property of Pergamon Press - An Imprint of Elsevier Science and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=126009891 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.electacta.2017.10.026 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 10 StartPage: 129 Subjects: – SubjectFull: Catalytic activity Type: general – SubjectFull: Gold nanoparticles Type: general – SubjectFull: Electrolytic oxidation Type: general – SubjectFull: Oxidation of methanol Type: general – SubjectFull: Oxidation of formic acid Type: general – SubjectFull: Density functional theory Type: general Titles: – TitleFull: Comparison of catalytic activity between Au(110) and Au(111) for the electro-oxidation of methanol and formic acid: Experiment and density functional theory calculation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Shen, Kechang – PersonEntity: Name: NameFull: Jia, Cungui – PersonEntity: Name: NameFull: Cao, Boxuan – PersonEntity: Name: NameFull: Xu, Hui – PersonEntity: Name: NameFull: Wang, Jin – PersonEntity: Name: NameFull: Zhang, Laichang – PersonEntity: Name: NameFull: Kim, Kibuem – PersonEntity: Name: NameFull: Wang, Weimin IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 12 Text: Dec2017 Type: published Y: 2017 Identifiers: – Type: issn-print Value: 00134686 Numbering: – Type: volume Value: 256 Titles: – TitleFull: Electrochimica Acta Type: main |
| ResultId | 1 |
