Applied Surface Science, volume 602, pages 154239
Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity
Publication type: Journal Article
Publication date: 2022-11-01
Journal:
Applied Surface Science
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6.7
ISSN: 01694332
Surfaces, Coatings and Films
General Chemistry
General Physics and Astronomy
Condensed Matter Physics
Surfaces and Interfaces
Abstract
• Electrochemical reduction of carbon dioxide into fuels. • Density-functional theory calculations to find new effective electrocatalysts. • Single-atom catalysts show low overpotential and high selectivity. • N-terminated TiN (1 1 1) surface obtained experimentally as substrate. The ever-increasing concentration of carbon dioxide (CO 2 ) in atmosphere has been resulting in disastrous effect on the nature and environment. Among the various methods for the CO 2 reduction, the electrochemical reduction of CO 2 (e-CO 2 RR) into fuels is considered to be much more effective. In this work, we find that the single atom catalysts (SACs) (SACs = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) can be firmly anchored on the N-terminated TiN(1 1 1) surface because of high binding energies on the basis of density-functional theory calculations. We show that the SACs on the N-terminate of TiN(1 1 1) can greatly reduce the energy barrier for e-CO 2 RR and improve the selectivity of products. SACs, including Sc, Ti, and V, show a high catalytic performance to produce CH 4 with a low limiting potential of 0.68, 0.22, and 0.48 eV, respectively. Both CH 4 and CH 2 O can be obtained on SAC-Ni with the potential-determining step (PDS) of 0.77 eV. SAC-Cu can produce CH 4 and CH 3 OH. Our findings demonstrate that N-terminated surface is suitable for anchoring SACs and the catalytic performance for e-CO 2 RR, such as overpotential and selectivity, can be optimized by using different transition metals, which provides a great way for the convertion CO 2 into fuels.
Top-30
Citations by journals
1
|
|
Applied Catalysis B: Environmental
1 publication, 20%
|
|
Molecular Catalysis
1 publication, 20%
|
|
ACS applied materials & interfaces
1 publication, 20%
|
|
Catalysis Letters
1 publication, 20%
|
|
Russian Chemical Reviews
1 publication, 20%
|
|
1
|
Citations by publishers
1
2
|
|
Elsevier
2 publications, 40%
|
|
American Chemical Society (ACS)
1 publication, 20%
|
|
Springer Nature
1 publication, 20%
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 20%
|
|
1
2
|
- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2023,2024],"ids":[0,0],"codes":[0,0],"imageUrls":["",""],"datasets":[{"label":"Citations number","data":[4,1],"backgroundColor":["#3B82F6","#3B82F6"],"percentage":["80","20"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Applied Catalysis B: Environmental","Molecular Catalysis","ACS applied materials & interfaces","Catalysis Letters","Russian Chemical Reviews"],"ids":[18270,4906,1458,2933,23802],"codes":[0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[20,20,20,20,20],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["Elsevier","American Chemical Society (ACS)","Springer Nature","Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii"],"ids":[17,40,8,9422],"codes":[0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[2,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[40,20,20,20],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartiles":{"type":"bar","data":{"show":true,"labels":[2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0],"percentage":["0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0],"percentage":["0","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[2,0],"percentage":["40","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,1],"percentage":["40","20"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0],"percentage":["0","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by SCImago per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartilesWs":{"type":"bar","data":{"show":true,"labels":[2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0],"percentage":["0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[1,0],"percentage":["20","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[1,0],"percentage":["20","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,1],"percentage":["40","20"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0],"percentage":["0","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by WoS per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
Cite this
GOST |
RIS |
BibTex
Cite this
GOST
Copy
Wu R. et al. Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity // Applied Surface Science. 2022. Vol. 602. p. 154239.
GOST all authors (up to 50)
Copy
Wu R., Liu D., Geng J., Bai H., Fei-Fei L., Zhou P., Pan H. Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity // Applied Surface Science. 2022. Vol. 602. p. 154239.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1016/j.apsusc.2022.154239
UR - https://doi.org/10.1016/j.apsusc.2022.154239
TI - Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity
T2 - Applied Surface Science
AU - Wu, Rucheng
AU - Liu, Di
AU - Geng, Jiazhong
AU - Bai, Haoyun
AU - Fei-Fei, Li
AU - Zhou, Pengfei
AU - Pan, Hui
PY - 2022
DA - 2022/11/01 00:00:00
PB - Elsevier
SP - 154239
VL - 602
SN - 0169-4332
ER -
Cite this
BibTex
Copy
@article{2022_Wu,
author = {Rucheng Wu and Di Liu and Jiazhong Geng and Haoyun Bai and Li Fei-Fei and Pengfei Zhou and Hui Pan},
title = {Electrochemical reduction of CO2 on single-atom catalysts anchored on N-terminated TiN (1 1 1): Low overpotential and high selectivity},
journal = {Applied Surface Science},
year = {2022},
volume = {602},
publisher = {Elsevier},
month = {nov},
url = {https://doi.org/10.1016/j.apsusc.2022.154239},
pages = {154239},
doi = {10.1016/j.apsusc.2022.154239}
}