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A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation.
- Source :
- Biochar; 4/18/2023, p1-10, 10p
- Publication Year :
- 2023
-
Abstract
- Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH<subscript>4</subscript>), nitrous oxide (N<subscript>2</subscript>O), and carbon dioxide (CO<subscript>2</subscript>)] among agricultural fields. Biochar has been deemed a potential candidate for the reduction of GHGs in paddy fields. However, there is no consistent conclusion that biochar can simultaneously reduce emissions of CH<subscript>4</subscript>, N<subscript>2</subscript>O, and CO<subscript>2</subscript>. Herein, we proposed the FeN<subscript>3</subscript>-doped biochar (FG) as an excellent material for GHGs restriction in paddy fields via the first-principles calculation. The computation results indicated that the FG exhibited satisfactory adsorption ability for CH<subscript>4</subscript>, CO<subscript>2</subscript>, and N<subscript>2</subscript>O, which improved the adsorption energies to −1.37 , −1.54, and −2.91 eV, respectively. Moreover, the density of state (DOS) analyses revealed that the factor responsible for FeN<subscript>3</subscript>-doped biochar to exhibit excellent adsorption ability was the occurrence of drastic energy up- or down-shift of the electron for Fe d, C p, O p, or N p orbital upon adsorption of CH<subscript>4</subscript>, CO<subscript>2</subscript>, or N<subscript>2</subscript>O. Our study suggested an advanced modified biochar material for reducing the GHGs emissions in paddy fields, in addition to exploring the adsorption properties and mechanisms of FeN<subscript>3</subscript>-doped biochar for GHGs mitigation, which provided a strategy to explore biochar modification and efficient emission reduction materials. Article highlights: • FeN<subscript>3</subscript>-doped biochar was first proposed for GHGs mitigation in paddy fields. • FeN<subscript>3</subscript>-doped biochar exhibited excellent GHGs adsorption ability. • FeN<subscript>3</subscript>-doped biochar improved physico-chemical adsorption ability for GHGs. [ABSTRACT FROM AUTHOR]
- Subjects :
- PADDY fields
GREENHOUSE gases
BIOCHAR
NITROUS oxide
CARBON dioxide
Subjects
Details
- Language :
- English
- ISSN :
- 25247972
- Database :
- Complementary Index
- Journal :
- Biochar
- Publication Type :
- Academic Journal
- Accession number :
- 169749604
- Full Text :
- https://doi.org/10.1007/s42773-023-00224-y