Theoretically identifying the electrocatalytic activity and mechanism of Zn doped 2D h-BN for nitrate reduction to NH3. Issue 51 (7th June 2022)
- Record Type:
- Journal Article
- Title:
- Theoretically identifying the electrocatalytic activity and mechanism of Zn doped 2D h-BN for nitrate reduction to NH3. Issue 51 (7th June 2022)
- Main Title:
- Theoretically identifying the electrocatalytic activity and mechanism of Zn doped 2D h-BN for nitrate reduction to NH3
- Authors:
- Huang, Yu
Tang, Chunmei
Gong, Jiangfeng - Abstract:
- Abstract : The hydrogenation selectivity of *NO is significantly correlated with ELF, which could work as an indicator for the reaction analysis of *NO hydrogenation in the eNO3 RR. Abstract : Developing efficient electrocatalysts for nitrate reduction in wastewater is of great urgency now. High electrocatalytic activity of Zn@BN toward the electrocatalytic NO3 RR to NH3 has been identified by density functional calculations, for which the most energy favourable pathway is energy downhill. The electron localization function is significantly correlated with the hydrogenation selectivity of the *NO intermediate.
- Is Part Of:
- Chemical communications. Volume 58:Issue 51(2022)
- Journal:
- Chemical communications
- Issue:
- Volume 58:Issue 51(2022)
- Issue Display:
- Volume 58, Issue 51 (2022)
- Year:
- 2022
- Volume:
- 58
- Issue:
- 51
- Issue Sort Value:
- 2022-0058-0051-0000
- Page Start:
- 7156
- Page End:
- 7159
- Publication Date:
- 2022-06-07
- Subjects:
- Chemistry -- Periodicals
540 - Journal URLs:
- http://pubs.rsc.org/en/journals/journalissues/cc ↗
http://www.rsc.org/ ↗ - DOI:
- 10.1039/d2cc02105f ↗
- Languages:
- English
- ISSNs:
- 1359-7345
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 3139.350000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 22101.xml