A density functional theory study of small Au nanoparticles at CeO2 surfaces

Zhu, Wenjun; Zhang, Jie; Gong, Xue‐Qing; Lu, Guanzhong

doi:10.1016/j.cattod.2010.11.085

Cited by 52 publications

(45 citation statements)

References 37 publications

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“…Firstly, it is found that the reductive electron of Ce can be effectively stored and transferred to the small adsorbed molecules (CO, O 2 etc.) due to its highly localized 4 f orbit, which would improve methane adsorption and activation on the surface ,. K. Otsuka et al .…”

Section: Resultsmentioning

confidence: 51%

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Syngas Production from Chemical‐Looping Reforming of Methane Using Iron‐Doped Cerium Oxides

Wang

et al. 2018

Energy Tech

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A series of iron‐doped cerium oxide oxygen carriers CexFe10−xOδ (x=9, 7, 5) were prepared by citric acid sol‐gel method and characterized by X‐ray powder diffraction (XRD), Brunauer Emmett Teller (BET), Temperature‐Programmed Reduction, and Oxidation (H2‐TPR/O2‐TPO). The reaction activity and cycle stability of oxygen carriers with methane at 850 °C were investigated in a fixed bed reactor and the capacity of oxygen storage was studied by a chemical adsorption instrument. Results showed that methane conversion and oxygen storage capacity of oxygen carriers were improved significantly because of the doping iron oxide. For thermostatic cycle, Ce7Fe3Oδ showed considerable durability. A three stages isothermal reaction mechanism was proposed.

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Section: Resultsmentioning

confidence: 51%

“…due to its highly localized 4 f orbit, which would improve methane adsorption and activation on the surface. [28,29] K. Otsuka et al [30] believed that Ce 3 + and oxygen vacancy played a crucial role in methane cracking reaction which formed the activated carbon intermediate [C] a and free radical [H] a (Eq. 4).…”

Section: Mechanism Analysismentioning

confidence: 99%

Syngas Production from Chemical‐Looping Reforming of Methane Using Iron‐Doped Cerium Oxides

Wang

et al. 2018

Energy Tech

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“…It has also been concluded that crystalline CeO 2 materials with high activity and selectivity are predominantly exposed with {110} and {100} facets. For example, CeO 2 (110) exhibits flat surface structure that is more favorable for O 2 adsorption [15] and CO oxidation [16] compared with the (111) surface.…”

Section: Introductionmentioning

confidence: 99%

Catalytic activities of CeO2(110)–2 × 1 reconstructed surface

Zhang

Gong

2015

Surface Science

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“…37 Nevertheless, the quest for understanding the structure activity relationship of supported gold catalysts is still ongoing. The adsorption of gold atoms and clusters on magnesia, [38][39][40][41][42] ceria, [43][44][45][46][47][48][49][50][51][52][53][54][55][56][57][58][59][60][61] and graphene/graphite [62][63][64][65][66][67][68][69][70][71][72][73][74][75] has been at the centre of previous computational studies. However, their scope was mostly limited to single adatoms or specific cluster sizes and only one support material.…”

Section: Introductionmentioning

confidence: 99%