Loading…
A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation
Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH 4 ), nitrous oxide (N 2 O), and carbon dioxide (CO 2 )] among agricultural fields. Biochar has been deemed a potential candidate for the reduction of GHGs in paddy fields. However, there is no consistent c...
Saved in:
Published in: | Biochar (Online) 2023-04, Vol.5 (1), p.1-10, Article 23 |
---|---|
Main Authors: | , , , , , , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
cited_by | cdi_FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53 |
---|---|
cites | cdi_FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53 |
container_end_page | 10 |
container_issue | 1 |
container_start_page | 1 |
container_title | Biochar (Online) |
container_volume | 5 |
creator | Wang, Hong-Rui Zhou, Wen-Tao Xiong, Rui Zhong, Kang-Yu He, Jing Ma, Xin Wu, Qing Long, Pan Fu, Zhi-Qiang |
description | Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH
4
), nitrous oxide (N
2
O), and carbon dioxide (CO
2
)] 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
4
, N
2
O, and CO
2
. Herein, we proposed the FeN
3
-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
4
, CO
2
, and N
2
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
3
-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
4
, CO
2
, or N
2
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
3
-doped biochar for GHGs mitigation, which provided a strategy to explore biochar modification and efficient emission reduction materials.
Graphical Abstract
Article highlights
• FeN
3
-doped biochar was first proposed for GHGs mitigation in paddy fields.
• FeN
3
-doped biochar exhibited excellent GHGs adsorption ability.
• FeN
3
-doped biochar improved physico-chemical adsorption ability for GHGs. |
doi_str_mv | 10.1007/s42773-023-00224-y |
format | article |
fullrecord | <record><control><sourceid>doaj_cross</sourceid><recordid>TN_cdi_doaj_primary_oai_doaj_org_article_f7d59ca300a4400585980d859b11ea5a</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><doaj_id>oai_doaj_org_article_f7d59ca300a4400585980d859b11ea5a</doaj_id><sourcerecordid>oai_doaj_org_article_f7d59ca300a4400585980d859b11ea5a</sourcerecordid><originalsourceid>FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53</originalsourceid><addsrcrecordid>eNp9UE1PwzAMrRBITGN_gFP-QCGfTXucJgaTJrjAOXITp-u0NVPSHfbvyTaEOHGw_WT7PdmvKB4ZfWKU6uckudaipDwH5VyWp5tiwlUGuq707R98X8xS2tK8pRirRDMp7JyMGwwRx97CjqTx6E4k-HOToPdoRwKDI3u0Gxj6tD_PlvguShcO6EjbhzyIxIdIuog4bMIxIekgkX0_9h2MfRgeijsPu4SznzotvpYvn4u3cv3xulrM16WVlI1lk690yrasAmmh9si5500jpVdSMa10gwK5Bu6U420tRVUJRZ0TjW6d9kpMi9VV1wXYmkPs9xBPJkBvLo0QOwMx_7lD47VTjQVBKUhJqapVU1OXc8sYgoKsxa9aNoaUIvpfPUbN2XVzdd1k183FdXPKJHElpbw8dBjNNhzjkH_-j_UNKS6Ezg</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation</title><source>Springer Nature - SpringerLink Journals - Fully Open Access </source><creator>Wang, Hong-Rui ; Zhou, Wen-Tao ; Xiong, Rui ; Zhong, Kang-Yu ; He, Jing ; Ma, Xin ; Wu, Qing ; Long, Pan ; Fu, Zhi-Qiang</creator><creatorcontrib>Wang, Hong-Rui ; Zhou, Wen-Tao ; Xiong, Rui ; Zhong, Kang-Yu ; He, Jing ; Ma, Xin ; Wu, Qing ; Long, Pan ; Fu, Zhi-Qiang</creatorcontrib><description>Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH
4
), nitrous oxide (N
2
O), and carbon dioxide (CO
2
)] 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
4
, N
2
O, and CO
2
. Herein, we proposed the FeN
3
-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
4
, CO
2
, and N
2
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
3
-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
4
, CO
2
, or N
2
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
3
-doped biochar for GHGs mitigation, which provided a strategy to explore biochar modification and efficient emission reduction materials.
Graphical Abstract
Article highlights
• FeN
3
-doped biochar was first proposed for GHGs mitigation in paddy fields.
• FeN
3
-doped biochar exhibited excellent GHGs adsorption ability.
• FeN
3
-doped biochar improved physico-chemical adsorption ability for GHGs.</description><identifier>ISSN: 2524-7867</identifier><identifier>EISSN: 2524-7867</identifier><identifier>DOI: 10.1007/s42773-023-00224-y</identifier><language>eng</language><publisher>Singapore: Springer Nature Singapore</publisher><subject>Adsorption mechanism ; Agriculture ; BRICS Biochar ; Ceramics ; Composites ; Earth and Environmental Science ; Environment ; Environmental Engineering/Biotechnology ; Fe atoms sorbent ; First-principles calculation ; Fossil Fuels (incl. Carbon Capture) ; Glass ; Greenhouse gas ; Modified biochar ; Natural Materials ; Original Research ; Renewable and Green Energy ; Soil Science & Conservation</subject><ispartof>Biochar (Online), 2023-04, Vol.5 (1), p.1-10, Article 23</ispartof><rights>The Author(s) 2023</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53</citedby><cites>FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Wang, Hong-Rui</creatorcontrib><creatorcontrib>Zhou, Wen-Tao</creatorcontrib><creatorcontrib>Xiong, Rui</creatorcontrib><creatorcontrib>Zhong, Kang-Yu</creatorcontrib><creatorcontrib>He, Jing</creatorcontrib><creatorcontrib>Ma, Xin</creatorcontrib><creatorcontrib>Wu, Qing</creatorcontrib><creatorcontrib>Long, Pan</creatorcontrib><creatorcontrib>Fu, Zhi-Qiang</creatorcontrib><title>A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation</title><title>Biochar (Online)</title><addtitle>Biochar</addtitle><description>Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH
4
), nitrous oxide (N
2
O), and carbon dioxide (CO
2
)] 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
4
, N
2
O, and CO
2
. Herein, we proposed the FeN
3
-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
4
, CO
2
, and N
2
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
3
-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
4
, CO
2
, or N
2
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
3
-doped biochar for GHGs mitigation, which provided a strategy to explore biochar modification and efficient emission reduction materials.
Graphical Abstract
Article highlights
• FeN
3
-doped biochar was first proposed for GHGs mitigation in paddy fields.
• FeN
3
-doped biochar exhibited excellent GHGs adsorption ability.
• FeN
3
-doped biochar improved physico-chemical adsorption ability for GHGs.</description><subject>Adsorption mechanism</subject><subject>Agriculture</subject><subject>BRICS Biochar</subject><subject>Ceramics</subject><subject>Composites</subject><subject>Earth and Environmental Science</subject><subject>Environment</subject><subject>Environmental Engineering/Biotechnology</subject><subject>Fe atoms sorbent</subject><subject>First-principles calculation</subject><subject>Fossil Fuels (incl. Carbon Capture)</subject><subject>Glass</subject><subject>Greenhouse gas</subject><subject>Modified biochar</subject><subject>Natural Materials</subject><subject>Original Research</subject><subject>Renewable and Green Energy</subject><subject>Soil Science & Conservation</subject><issn>2524-7867</issn><issn>2524-7867</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><sourceid>DOA</sourceid><recordid>eNp9UE1PwzAMrRBITGN_gFP-QCGfTXucJgaTJrjAOXITp-u0NVPSHfbvyTaEOHGw_WT7PdmvKB4ZfWKU6uckudaipDwH5VyWp5tiwlUGuq707R98X8xS2tK8pRirRDMp7JyMGwwRx97CjqTx6E4k-HOToPdoRwKDI3u0Gxj6tD_PlvguShcO6EjbhzyIxIdIuog4bMIxIekgkX0_9h2MfRgeijsPu4SznzotvpYvn4u3cv3xulrM16WVlI1lk690yrasAmmh9si5500jpVdSMa10gwK5Bu6U420tRVUJRZ0TjW6d9kpMi9VV1wXYmkPs9xBPJkBvLo0QOwMx_7lD47VTjQVBKUhJqapVU1OXc8sYgoKsxa9aNoaUIvpfPUbN2XVzdd1k183FdXPKJHElpbw8dBjNNhzjkH_-j_UNKS6Ezg</recordid><startdate>20230418</startdate><enddate>20230418</enddate><creator>Wang, Hong-Rui</creator><creator>Zhou, Wen-Tao</creator><creator>Xiong, Rui</creator><creator>Zhong, Kang-Yu</creator><creator>He, Jing</creator><creator>Ma, Xin</creator><creator>Wu, Qing</creator><creator>Long, Pan</creator><creator>Fu, Zhi-Qiang</creator><general>Springer Nature Singapore</general><general>Springer</general><scope>C6C</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>DOA</scope></search><sort><creationdate>20230418</creationdate><title>A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation</title><author>Wang, Hong-Rui ; Zhou, Wen-Tao ; Xiong, Rui ; Zhong, Kang-Yu ; He, Jing ; Ma, Xin ; Wu, Qing ; Long, Pan ; Fu, Zhi-Qiang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Adsorption mechanism</topic><topic>Agriculture</topic><topic>BRICS Biochar</topic><topic>Ceramics</topic><topic>Composites</topic><topic>Earth and Environmental Science</topic><topic>Environment</topic><topic>Environmental Engineering/Biotechnology</topic><topic>Fe atoms sorbent</topic><topic>First-principles calculation</topic><topic>Fossil Fuels (incl. Carbon Capture)</topic><topic>Glass</topic><topic>Greenhouse gas</topic><topic>Modified biochar</topic><topic>Natural Materials</topic><topic>Original Research</topic><topic>Renewable and Green Energy</topic><topic>Soil Science & Conservation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Hong-Rui</creatorcontrib><creatorcontrib>Zhou, Wen-Tao</creatorcontrib><creatorcontrib>Xiong, Rui</creatorcontrib><creatorcontrib>Zhong, Kang-Yu</creatorcontrib><creatorcontrib>He, Jing</creatorcontrib><creatorcontrib>Ma, Xin</creatorcontrib><creatorcontrib>Wu, Qing</creatorcontrib><creatorcontrib>Long, Pan</creatorcontrib><creatorcontrib>Fu, Zhi-Qiang</creatorcontrib><collection>SpringerOpen</collection><collection>CrossRef</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>Biochar (Online)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Hong-Rui</au><au>Zhou, Wen-Tao</au><au>Xiong, Rui</au><au>Zhong, Kang-Yu</au><au>He, Jing</au><au>Ma, Xin</au><au>Wu, Qing</au><au>Long, Pan</au><au>Fu, Zhi-Qiang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation</atitle><jtitle>Biochar (Online)</jtitle><stitle>Biochar</stitle><date>2023-04-18</date><risdate>2023</risdate><volume>5</volume><issue>1</issue><spage>1</spage><epage>10</epage><pages>1-10</pages><artnum>23</artnum><issn>2524-7867</issn><eissn>2524-7867</eissn><abstract>Paddy fields are a major emission source of greenhouse gases (GHGs) [for instance, methane (CH
4
), nitrous oxide (N
2
O), and carbon dioxide (CO
2
)] 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
4
, N
2
O, and CO
2
. Herein, we proposed the FeN
3
-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
4
, CO
2
, and N
2
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
3
-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
4
, CO
2
, or N
2
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
3
-doped biochar for GHGs mitigation, which provided a strategy to explore biochar modification and efficient emission reduction materials.
Graphical Abstract
Article highlights
• FeN
3
-doped biochar was first proposed for GHGs mitigation in paddy fields.
• FeN
3
-doped biochar exhibited excellent GHGs adsorption ability.
• FeN
3
-doped biochar improved physico-chemical adsorption ability for GHGs.</abstract><cop>Singapore</cop><pub>Springer Nature Singapore</pub><doi>10.1007/s42773-023-00224-y</doi><tpages>10</tpages><oa>free_for_read</oa></addata></record> |
fulltext | fulltext |
identifier | ISSN: 2524-7867 |
ispartof | Biochar (Online), 2023-04, Vol.5 (1), p.1-10, Article 23 |
issn | 2524-7867 2524-7867 |
language | eng |
recordid | cdi_doaj_primary_oai_doaj_org_article_f7d59ca300a4400585980d859b11ea5a |
source | Springer Nature - SpringerLink Journals - Fully Open Access |
subjects | Adsorption mechanism Agriculture BRICS Biochar Ceramics Composites Earth and Environmental Science Environment Environmental Engineering/Biotechnology Fe atoms sorbent First-principles calculation Fossil Fuels (incl. Carbon Capture) Glass Greenhouse gas Modified biochar Natural Materials Original Research Renewable and Green Energy Soil Science & Conservation |
title | A theoretical study of the effect and mechanism of FeN3-doped biochar for greenhouse gas mitigation |
url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-25T20%3A24%3A40IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-doaj_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=A%20theoretical%20study%20of%20the%20effect%20and%20mechanism%20of%20FeN3-doped%20biochar%20for%20greenhouse%20gas%20mitigation&rft.jtitle=Biochar%20(Online)&rft.au=Wang,%20Hong-Rui&rft.date=2023-04-18&rft.volume=5&rft.issue=1&rft.spage=1&rft.epage=10&rft.pages=1-10&rft.artnum=23&rft.issn=2524-7867&rft.eissn=2524-7867&rft_id=info:doi/10.1007/s42773-023-00224-y&rft_dat=%3Cdoaj_cross%3Eoai_doaj_org_article_f7d59ca300a4400585980d859b11ea5a%3C/doaj_cross%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c401t-9524d5cb16a4ca8fe22f29944f54517579e3e27a2d5d2b84366350dd397bd7f53%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true |