Potential of Doped Nanocones as Catalysts for N2O + CO Reaction: Theoretical Investigation

Shi, Xiaolong; Sarafbidabad, Mohsen; Ibatova, Aygul Z.; Razavi, Razieh; Najafi, Meysam

doi:10.1007/s10876-018-1463-6

Cited by 4 publications

(2 citation statements)

References 47 publications

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“…The energy barrier required for this process is 27.3 kcal mol −1 and exothermic by 21.9 kcal mol −1 . It should be pointed out that the energy barrier required for this process is significantly less than other catalysts, such as Ga‐doped graphene (41.4 kcal mol −1 ), [ 71 ] Ti‐doped graphene (54.5 kcal mol −1 ), [ 79 ] P‐doped carbon nanocone (36.8 kcal mol −1 ), [ 80 ] and B C ‐doped C 3 N monolayer (72.2 kcal mol −1 ). [ 81 ] According to reports previously, the reaction can proceed at room temperature when the energy barrier is 18.4–23 kcal mol −1 .…”

Section: Resultsmentioning

confidence: 99%

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation

Liu

Sheng

2023

Advcd Theory and Sims

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Converting the toxic air pollutant N 2 O into less harmful gas has potential advantages. Herein, the feasibility of the N 2 O reduction reaction over pristine C 2 N and TM/C 2 N (TM = V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) monolayers are explored by density functional theory calculations with Grimme-D3 correction. The results reveal that the existence of TM atoms indeed improves the adsorption performance of C 2 N, where the TM atoms act as both electron acceptors and donors, favoring the activation of N 2 O and CO molecules. Based on thermal stability, selectivity, and catalytic activity, TM/C 2 N (TM = V and Mn) catalysts are screened from the above transition metal atoms. In particular, N 2 O reduction is a thermodynamically and kinetically favorable pathway, which can take place with negligible energy barriers on V/C 2 N and Mn/C 2 N catalysts. The CO 2 desorption on V/C 2 N and Mn/C 2 N catalysts is the rate-limiting step with the desorption barrier of only 13.1 and 15.1 kcal mol −1 , respectively. These results suggest that the screened TM/C 2 N (TM = V and Mn) materials can be used as promising catalysts for the adsorption and reduction of environmentally unfriendly N 2 O molecules.

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Section: Resultsmentioning

confidence: 99%

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation

Liu

Sheng

2023

Advcd Theory and Sims

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“…The decision to buy is on consumer and consumer will use various criteria in buying good and brand that suit their needs, taste and purchasing power [1][2][3][4][5]. Strict competition between brands will make consumers have a stronger position in bargaining [6][7][8][9].…”

Section: A Backgroundmentioning

confidence: 99%

The Good Salted egg using AHP

Ayshwarya

Nguyen

Alfian

et al. 2019

ijrte

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In the globalization era like nowadays, advertising marketing activities have become a trend in the world of communication to market products to the public. In order to be able to popularize a product that is less known by public, marketing can be an effective means of introducing the product to the wider community. The subjects in this study were decision support systems using the Analitical Hierarchy Process (AHP) method and the results of AHP calculations that can provide opportunities for program manager to be able to build ideas and define existing problems by making assumptions in a hierarchy and then get the desired solution and apply intelligently a complex mathematical approach based on a qualitative approach that can be accepted by all stakeholders and program managers. In this study, it was observed to consist of two factors, namely the factors of constraint and supporting factors with the criteria and sub-criteria considered by the two factors and alternatives that would later be chosen as the best marketing strategy for increasing sales of salted eggs. Based on the results of the study, alternative A1 produced a weight of 17 by occupying priority 1, alternative A2 produced a weight of 10.6 with occupying priority 2.

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Boron nitride nanocones template for adsorbing NO2 and SO2: An ab initio investigation

Fadlallah

Maarouf

Soliman

2019

Physica E: Low-dimensional Systems and Nanostructures

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Potential of Doped Nanocones as Catalysts for N2O + CO Reaction: Theoretical Investigation

Cited by 4 publications

References 47 publications

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation

The Good Salted egg using AHP

Boron nitride nanocones template for adsorbing NO2 and SO2: An ab initio investigation

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Potential of Doped Nanocones as Catalysts for N2O + CO Reaction: Theoretical Investigation

Cited by 4 publications

References 47 publications

Potential of Single Transition Metal Atom Embedded C2N as Efficient Catalysts for N2O Reduction: Theoretical Investigation

Potential of Single Transition Metal Atom Embedded C2N as Efficient Catalysts for N2O Reduction: Theoretical Investigation

The Good Salted egg using AHP

Boron nitride nanocones template for adsorbing NO2 and SO2: An ab initio investigation

Contact Info

Product

Resources

About

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation

Potential of Single Transition Metal Atom Embedded C₂N as Efficient Catalysts for N₂O Reduction: Theoretical Investigation