Thermodynamic assessments of the Ag–Tb and Ag–Ho systems

Wang, S.L.; Wang, C.P.; Liu, X.J.; Tang, Aitao; Pan, Fusheng; Ishida, K.

doi:10.1016/j.jallcom.2009.04.037

Cited by 10 publications

(6 citation statements)

References 24 publications

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“…Despite a local icosahedral order as well as orientation relationships with the 1/1 approximant, this latter structure is not considered as an approximant. Phases with the same type of structure were also reported in the Cd-RE (RE = Eu, Yb) [26], Ag-RE (RE = Gd, Nd, Tb, Ho) [27][28][29], Gd-Ag-Ga [30] and Er-Cu-Ga [31] systems. More complex hexagonal approximants, (P6 3 /mmc space group, structure type: Gd 13 Cd 58 , a = 1.46 and c = 1.41 nm,) were reported to form in the Cd-Y and Cd-RE (RE = Ce, Pr, Nd, Sm, Eu, Gd) [32,33] systems, and in the Zn-RE [34,35] and (Zn, Mg) 58 RE 13 systems [36].…”

Section: Introductionsupporting

confidence: 58%

A new complex hexagonal phase in the Ce–Au–Sn system and its structure relationship with the 1/1 approximant

Demange

Kenzari

Boulet

et al. 2010

Journal of Alloys and Compounds

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Section: Introductionsupporting

confidence: 58%

A new complex hexagonal phase in the Ce–Au–Sn system and its structure relationship with the 1/1 approximant

Demange

Kenzari

Boulet

et al. 2010

Journal of Alloys and Compounds

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“…4,5 In addition, researchers discovered that more catalysts, such as Pd, Cu 2+ , Rh 3+ , Ir 3+ , Sn 2+ and Bi 2+ , could also efficiently catalyze acetylene hydrochlorination. [6][7][8][9][10][11][12][13][14] Nkosi et al pointed out that monometallic catalysts exhibited high efficiency initially, but these catalysts tended to lose activity during the course of reaction. 4 For example, the supported gold catalysts were observed to get deactivated at the reaction temperature, 5,15,16 which was due to the reduction of active gold species Au 3+ to Au 0 .…”

Section: Introductionmentioning

confidence: 99%

Influence of chlorine coordination number on the catalytic mechanism of ruthenium chloride catalysts in the acetylene hydrochlorination reaction: a DFT study

Han

Sun

et al. 2015

Phys. Chem. Chem. Phys.

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The catalytic mechanism of Ru-based catalysts in the acetylene hydrochlorination reaction has been investigated via the density functional theory (DFT) method. To study the effect of the chlorine coordination number on the catalytic mechanism, Ru3Cl9, Ru3Cl7, Ru5Cl7, Ru3Cl3 and Ru3 clusters were chosen as the catalytic models. Our results show that the energy barrier for acetylene hydrochlorination on Ru3Cl9 was as high as 1.51 eV at 458 K. When the chlorine coordination number decreased, the energy barriers on Ru3Cl7, Ru5Cl7, Ru3Cl3 and Ru3 were 1.29, 0.89, 1.01 and 1.42 eV, respectively. On Ru3Cl9, the H and Cl atoms of HCl were simultaneously added to C2H2 to form C2H3Cl, while the reaction was divided into two steps on Ru3Cl7, Ru3Cl3 and Ru3 clusters. The first step was the addition of H atom of HCl to C2H2 to form C2H3˙, and the second step was the addition of Cl atom to C2H3˙ to form C2H3Cl. The step involving the addition of Cl was the rate-controlling step during the whole reaction. On Ru5Cl7 cluster, there was an additional step before the steps involving the addition of H and Cl: the transfer of H atom from HCl to Ru atom. This step was the rate-controlling step during the reaction of acetylene hydrochlorination on Ru5Cl7 and its energy barrier was the lowest among all the above-mentioned catalytic models. Therefore, the Ru5Cl7 cluster played the most predominant role in acetylene hydrochlorination with the largest reaction rate constant kTST of 10(3).

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“…In addition, similar cases also appeared in Ag-Tb and Ag-Ho systems [14]. In these two systems, the measured formation enthalpies of Ag 2 Tb and Ag 2 Ho [17] also tend to be a bit higher.…”

Section: Systemmentioning

confidence: 52%

“…But they appear to be stable at low temperature in experimental phase diagrams [39,40]. In order to assure all the compounds to be stable, the assessed formation enthalpy of Ag 2 Ho [14] was much lower than the measured data [17], while that of AgTb [14] to be higher than experimental value [17]. Especially, the measured formation enthalpy of AgTb [17] differed significantly from the experimental data in Ref.…”

Section: Systemmentioning

confidence: 95%

“…Information of phase diagrams of the Ag-RE systems is helpful to alloys design relevant processing method. Recently, many assessments about Ag-RE systems have been carried out, including Ag-La [3], Ag-Pr [4], Ag-Ce [5], Ag-Gd [6,7], Ag-Nd [7,8], Ag-Yb [9], Ag-Eu [10], Ag-Y [11], Ag-Sc [12], Ag-Sm [13], Ag-Tb and Ag-Ho [14]. However, the Ag-Dy and Ag-Er systems have not been optimized despite their importance.…”

Section: Introductionmentioning

confidence: 99%

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