Back to Search
Start Over
Theory assisted design of N-doped tin oxides for enhanced electrochemical CO2 activation and reduction.
- Source :
- SCIENCE CHINA Chemistry; Aug2019, Vol. 62 Issue 8, p1030-1036, 7p
- Publication Year :
- 2019
-
Abstract
- Clearly understanding the structure-function relationship and rational design of efficient CO<subscript>2</subscript> electrocatalysts are still the challenges. This article describes the molecular origin of high selectivity of formic acid on N-doped SnO<subscript>2</subscript> nanoparticles, which obtained via thermal treatment of g-C<subscript>3</subscript>N<subscript>4</subscript> and SnCl<subscript>2</subscript>·2H<subscript>2</subscript>O precursor. Combined with density functional theory (DFT) calculations, we discover that N-doping effectively introduces oxygen vacancies and increases the charge density of Sn sites, which plays a positive role in CO<subscript>2</subscript> activation. In addition, N-doping further regulates the adsorption energy of *OCHO, *COOH, *H and promotes HCOOH generation. Benefited from above modulation, the obtained N-doped SnO<subscript>2</subscript> catalysts with oxygen vacancies (Ov-N-SnO<subscript>2</subscript>) exhibit faradaic efficiency of 93% for C<subscript>1</subscript> formation, 88% for HCOOH production and well-suppression of H<subscript>2</subscript> evolution over a wide range of potentials. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 16747291
- Volume :
- 62
- Issue :
- 8
- Database :
- Complementary Index
- Journal :
- SCIENCE CHINA Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 137590598
- Full Text :
- https://doi.org/10.1007/s11426-019-9474-0