NO dissociation and reduction by H 2 on Pd(1 1 1): A first-principles study

Huai, Liyuan; He, Chaozheng; Wang, Hui; Wen, Hao; Yi, Wencai; Liu, Jing-Yao

doi:10.1016/j.jcat.2014.11.011

Cited by 56 publications

(73 citation statements)

References 57 publications

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“…At low temperature, the activation energy for this reaction increases from 2.32 eV on a clean Pt surface to 3.52 eV on a surface with high NO coverage. Similarly, Huai et al[26] report an activation energy of 2.36 eV for the dissociative adsorption of NO on clean Pd (111). Therefore, it is assumed by both groups that for NO to dissociate, an intermediate pathway via formation of HNO prior to N-O bond scission is a more energetically favourable route.…”

mentioning

confidence: 83%

Passive SCR: The Effect of H $$_2$$ 2 to NO Ratio on the Formation of NH $$_3$$ 3 Over Alumina Supported Platinum and Palladium Catalysts

et al. 2016

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We investigate the relationship between the H 2 :NO ratio and NH 3 formation over alumina supported Pt and Pd catalysts. By kinetic studies and in situ infrared spectroscopy, we report that NH 3 formation is not only sensitive to the catalyst formulation but equally dependent on the feed gas composition and temperature. Specifically, we identify that hydrogen plays an important role in the dissociation of NO at low temperature. We also show that the support material itself plays a vital role in the ammonia formation mechanism due to the redox behaviour of NO adsorption at low temperature. This was unexpected as the noble metal is generally considered to be the active phase for the reaction of NO and H 2 .

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confidence: 83%

Passive SCR: The Effect of H $$_2$$ 2 to NO Ratio on the Formation of NH $$_3$$ 3 Over Alumina Supported Platinum and Palladium Catalysts

et al. 2016

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“…In situ infrared spectroscopy showed that NO2 and nitrate were not important intermediates of H2-SCR on the catalyst, while NO δ+ on Pt was an effective material for NO removal. Huai et al [212] studied the decomposition process of NO on Pd (111) surface and the formation pathways of N2, NH3, N2O, and H2O (Figure 14a,b). The specific temperatures of them could be obtained by relative selectivity analysis at different temperatures (Figure 14c,d).…”

Section: H2-scrmentioning

confidence: 99%

“…x FOR PEER REVIEW 22 of (a) Reaction pathways of NO + H2 and products on Pd (111), (b) potential energy diagram and geometrical structure of H atom-assisted direct dissociation of NO on Pd(111), and (c,d) relative selectivity of N2, NH3, N2O, and H2O at different temperatures[212]. Reproduced from Ref [212],. Copyright 2015, Elsevier.…”

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confidence: 99%

A Critical Review of Recent Progress and Perspective in Practical Denitration Application

Liu

et al. 2019

Catalysts

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Nitrogen oxides (NO x ) represent one of the main sources of haze and pollution of the atmosphere as well as the causes of photochemical smog and acid rain. Furthermore, it poses a serious threat to human health. With the increasing emission of NO x , it is urgent to control NO x . According to the different mechanisms of NO x removal methods, this paper elaborated on the adsorption method represented by activated carbon adsorption, analyzed the oxidation method represented by Fenton oxidation, discussed the reduction method represented by selective catalytic reduction, and summarized the plasma method represented by plasma-modified catalyst to remove NO x . At the same time, the current research status and existing problems of different NO x removal technologies were revealed and the future development prospects were forecasted.Catalysts 2019, 9, 771 2 of 39 adsorption, oxidation, reduction, and plasma methods. In view of these attentive findings, adsorption method uses recyclable solid adsorbent material to adsorb NO x from flue gas through microporous structure, remarkably, environmentally friendly, no secondary pollution, and energy-saving and -efficient features make it stand out [18][19][20]. The oxidation process is a method that oxidizes NO into NO 2 or N 2 O 3 with high solubility under the action of an oxidant that is then absorbed by water or alkali solution. The process is simple and cost-saving, and is widely used in the wet flue gas denitrification process with relatively low cost and high removal efficiency of NO x ; except that the oxidized NO and SO 2 can be removed simultaneously to produce high value-added products [21][22][23]. The reduction method has the characteristics of high efficiency, cleanliness, and mildness; NO x removal can be realized at low temperature at present [24][25][26]. The plasma method is used to modify the surface of the catalyst, the dispersion of active species can be improved by plasma treatment, and the stability and low temperature activity of catalyst can be improved [27,28].Seldom, if ever, does a comprehensive article to introduce the current situation and treatment methods of removing NO x . In this paper, we tried to renovate, classify, and summarize the significant perspectives and most relevant findings reported in recent research articles and earlier reviews generalizing the mechanism analysis and research progress of NO x removal by adsorption, oxidation, reduction, and plasma methods, which can provide means for promoting the technological progress of pollution prevention, maintaining healthy development of factories continuously, studying the methods of removing NO x deeply, and mastering different technologies of removing NO x , as well as providing guidance for controlling the emission of NO x from motor vehicles such as diesel, gasoline, and so on. In order to improve the environmental quality and save the ecological environment, this paper further provides a convenient, low-cost, efficient, and economic guidance line.

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“…As the formation of water from H 2 and O 2 over Pt occurs via a Langmuir-Hinshelwood mechanism 9 whereby O 2 must be surface-bound and dissociated before reaction with surface-bound H, this indicates that as we move from rich to lean conditions a transition from a surface covered with chemisorbed hydrogen and oxygen to a surface covered by oxide occurs. This is reflected in the spectroscopic data in evant to all stoichiometric values above0 0.33) is the lower surface abundance of hydrogen, resulting in lower NH 3 formation rates for two reasons; not only is hydrogen clearly required for the direct reaction with N ad-atoms to form NH 3 , but it is also able to facilitate the dissociation of adsorbed NO for further reaction [10][11][12] . In addition to limited hydrogen availability, it is also apparent that an inverse relationship between platinum oxide formation and NH 3 generation exists.…”

mentioning

confidence: 93%

The structure–function relationship for alumina supported platinum during the formation of ammonia from nitrogen oxide and hydrogen in the presence of oxygen

Adams

Merte

Hellman

et al. 2016

Phys. Chem. Chem. Phys.

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We study the structure-function relationship of alumina supported platinum during the formation of ammonia from nitrogen oxide and dihydrogen by employing in situ X-ray absorption and Fourier transform infrared spectroscopy. Particular focus has been directed towards the effect of oxygen on the reaction as a model system for emerging technologies for passive selective catalytic reduction of nitrogen oxides. The suppressed formation of ammonia observed as the feed becomes net-oxidizing is accompanied by a considerable increase in the oxidation state of platinum as well as the formation of surface nitrates and the loss of NH-containing surface species. In the presence of (excess) oxygen, the ammonia formation is proposed to be limited by weak interaction between nitrogen oxide and the oxidized platinum surface. This leads to a slow dissociation rate of nitrogen oxide and thus low abundance of the atomic nitrogen surface species that can react with the adsorbed hydrogen species. In this case the consumption of hydrogen through the competing water formation reaction and decomposition/oxidation of ammonia are of less importance for the net ammonia formation.

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NO dissociation and reduction by H 2 on Pd(1 1 1): A first-principles study

Cited by 56 publications

References 57 publications

Passive SCR: The Effect of H $$_2$$ 2 to NO Ratio on the Formation of NH $$_3$$ 3 Over Alumina Supported Platinum and Palladium Catalysts

Passive SCR: The Effect of H $$_2$$ 2 to NO Ratio on the Formation of NH $$_3$$ 3 Over Alumina Supported Platinum and Palladium Catalysts

A Critical Review of Recent Progress and Perspective in Practical Denitration Application

The structure–function relationship for alumina supported platinum during the formation of ammonia from nitrogen oxide and hydrogen in the presence of oxygen

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