Sn-embedded graphene: An active catalyst for CO oxidation to CO 2 ?

Esrafili, Mehdi D.; Saeidi, Nasibeh

doi:10.1016/j.physe.2015.07.035

“…As is clear, the CO molecule is physisorbed over Si-GO surface with the binding distance and Eads values of 2.17 Å and -0.2 eV, respectively. Note that the adsorption energy calculated here is more negative than those of reported for Si- [55], Sn- [56] or Pd-doped [57] graphene, indicating the large surface reactivity of Si-GO. The calculated Si-C and C-C bond lengths are 3.23 and 3.14 Å, respectively.…”

Section: Adsorption Of N2o and Co Molecules Over Al-/si-gocontrasting

confidence: 61%

“…By overcoming an energy barrier of about 0.3 eV, TS-1 is formed in which the CO molecule is completely closed to the Oads (C-Oads = 2.01 Å and C-C = 4.32 Å) in order to produce the CO2 molecule. Note that the calculated activation energy for the Oads + CO → CO2 reaction over Al-GO is smaller than that of Fe-(0.7 eV) [58] and Cu-doped graphene (0.54 eV) [48], but larger than that of reported for the Al-and Ge- [59], Sn- [56] and Se-doped [29] graphene. It is important to know that the CO2 molecule is formed passing via an intermediate state (MS-1) where the CO molecule is attached to the Oads (Al-Oads = 1.90 Å and C-Oads = 1.34 Å).…”

Section: Reaction Mechanisms Of the N2o Reduction Over Al-/si-gomentioning

confidence: 64%

Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction

Esrafili

¹

,

Sharifi

²

,

Nematollahi

³

2016

Applied Surface Science

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Exaggerated anticipatory anxiety is common in social anxiety disorder (SAD). Neuroimaging studies have revealed altered neural activity in response to social stimuli in SAD, but fewer studies have examined neural activity during anticipation of feared social stimuli in SAD. The current study examined the time course and magnitude of activity in threat processing brain regions during speech anticipation in socially anxious individuals and healthy controls (HC). Method Participants (SAD n = 58; HC n = 16) underwent functional magnetic resonance imaging (fMRI) during which they completed a 90s control anticipation task and 90s speech anticipation task.

“…It is found that the reaction can proceed and reach to the second transition state (TS-3) passing via a small energy barrier of 2.07 kcal/mol. This value is smaller than those of reported by other studies [24,40,41]. In TS-3, the binding distance between the O ads and Si atom decreases to 2.03 Å and the CO 2 molecule is formed in FS-3.…”

Section: Reduction Of So 3 By Co Molecule Over the Si-and Al-doped Grcontrasting

confidence: 58%

“…To improve the surface reactivity of graphene, several strategies, including chemical doping with foreign atoms e.g. Si [19,20], N or P [21][22][23], Sn [24] and some transition metals [25][26][27] have been also reported. Recently, there have been many theoretical or experimental studies carried out on the adsorption of SO x molecules over metal-doped graphene [28][29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

A DFT study on SO3 capture and activation over Si- or Al-doped graphene

Esrafili

¹

,

Saeidi

²

,

Nematollahi

³

2016

Chemical Physics Letters

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Exaggerated anticipatory anxiety is common in social anxiety disorder (SAD). Neuroimaging studies have revealed altered neural activity in response to social stimuli in SAD, but fewer studies have examined neural activity during anticipation of feared social stimuli in SAD. The current study examined the time course and magnitude of activity in threat processing brain regions during speech anticipation in socially anxious individuals and healthy controls (HC). Method Participants (SAD n = 58; HC n = 16) underwent functional magnetic resonance imaging (fMRI) during which they completed a 90s control anticipation task and 90s speech anticipation task.

“…It is worth mentioning that the favorable mechanism depends greatly on the nature of the catalyst. For example, while the ER mechanism has been found as a more favorable pathway for the CO oxidation over the Fe‐doped graphene, however, there are also numerous evidences indicating this reaction is most likely to proceed over other metal‐doped graphene sheets through the LH mechanism –,. For a comprehensive understanding, both ER and LH mechanisms are considered in this study.…”

Section: Resultsmentioning

confidence: 96%

A DFT Study of Single‐Atom Catalysis of CO Oxidation Using Carbon‐Embedded Hexagonal Boron Nitride Monolayer

Esrafili

¹

,

Rad

²

2018

Self Cite

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Exaggerated anticipatory anxiety is common in social anxiety disorder (SAD). Neuroimaging studies have revealed altered neural activity in response to social stimuli in SAD, but fewer studies have examined neural activity during anticipation of feared social stimuli in SAD. The current study examined the time course and magnitude of activity in threat processing brain regions during speech anticipation in socially anxious individuals and healthy controls (HC). Method Participants (SAD n = 58; HC n = 16) underwent functional magnetic resonance imaging (fMRI) during which they completed a 90s control anticipation task and 90s speech anticipation task.

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Sn-embedded graphene: An active catalyst for CO oxidation to CO 2 ?

Cited by 55 publications

References 40 publications

Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction

Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction

A DFT study on SO3 capture and activation over Si- or Al-doped graphene

A DFT Study of Single‐Atom Catalysis of CO Oxidation Using Carbon‐Embedded Hexagonal Boron Nitride Monolayer

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