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X Demographics
Mendeley readers
Attention Score in Context
| Title |
First Principles Study on the CO Oxidation on Mn-Embedded Divacancy Graphene
|
|---|---|
| Published in |
Frontiers in Chemistry, May 2018
|
| DOI | 10.3389/fchem.2018.00187 |
| Pubmed ID | |
| Authors |
Quanguo Jiang, Jianfeng Zhang, Zhimin Ao, Huajie Huang, Haiyan He, Yuping Wu |
| Abstract |
The CO oxidation mechanism on graphene with divacancy (DG) embedded with transition metal from Sc to Zn has been studied by using first principles calculations. The results indicate that O2 molecule is preferentially adsorbed on Sc, Ti, V, Cr, Mn, and Fe-DG, which can avoid the CO poisoning problem that many catalysts facing and is beneficial to the CO oxidation progress. Further study indicates that Mn-DG shows the best catalytic properties for CO oxidation with consideration of both Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) oxidation mechanisms. Along the ER mechanism, the reaction energy barrier for the first step (CO free + O2pre-adsorbed → OOCO) is 0.96 eV. Along the LH mechanism, the energy barrier for the rate limiting step (CO adsorbed + O2adsorbed → OOCO) is only 0.41 eV, indicating that the CO oxidation on Mn-DG will occur along LH mechanism. The Hirshfeld charge distributions of O2 and CO molecules is tuned by the embedded Mn atom, and the charge transfer from the embedded Mn atom to the adsorbed molecules plays an important role for the CO oxidation. The result shows that the Mn-embedded divacancy graphene is a noble-metal free and efficient catalyst for CO oxidation at low temperature. |
X Demographics
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 18 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 18 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 6 | 33% |
| Lecturer | 1 | 6% |
| Student > Bachelor | 1 | 6% |
| Other | 1 | 6% |
| Professor | 1 | 6% |
| Other | 3 | 17% |
| Unknown | 5 | 28% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemical Engineering | 3 | 17% |
| Materials Science | 3 | 17% |
| Physics and Astronomy | 2 | 11% |
| Chemistry | 2 | 11% |
| Environmental Science | 1 | 6% |
| Other | 1 | 6% |
| Unknown | 6 | 33% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 29 May 2018.
All research outputs
#20,512,427
of 23,081,466 outputs
Outputs from Frontiers in Chemistry
#2,948
of 6,034 outputs
Outputs of similar age
#290,603
of 331,240 outputs
Outputs of similar age from Frontiers in Chemistry
#95
of 163 outputs
Altmetric has tracked 23,081,466 research outputs across all sources so far. This one is in the 1st percentile – i.e., 1% of other outputs scored the same or lower than it.
So far Altmetric has tracked 6,034 research outputs from this source. They receive a mean Attention Score of 2.0. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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We're also able to compare this research output to 163 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.