scholarly journals Near-equiatomic high-entropy decagonal quasicrystal in Al20Si20Mn20Fe20Ga20

Author(s):  
Haikun Ma ◽  
Liangqun Zhao ◽  
Zhi-Yi Hu ◽  
Dinghao Miao ◽  
Ruixuan Li ◽  
...  
Author(s):  
Wang Rong ◽  
Ma Lina ◽  
K.H. Kuo

Up to now, decagonal quasicrystals have been found in the alloys of whole Al-Pt group metals [1,2]. The present paper is concerned with the TEM study of a hitherto unreported hexagonal phase in rapidly solidified Al-Ir, Al-Pd and Al-Pt alloys.The ribbons of Al5Ir, Al5Pd and Al5Pt were obtained by spun-quenching. Specimens cut from the ribbons were ion thinned and examined in a JEM 100CX electron microscope. In both rapidly solidified Al5Ir and Al5Pd alloys, the decagonal quasicrystal, with rosette or dendritic morphologies can be easily identified by its electron diffraction patterns(EDPs). The EDPs of the decagonal phase for the two alloys are quite similar. However, the existance of decagonal quasicrystal in the Al-Pt alloy has not been verified by our TEM study. It is probably for the reason that the cooling rate is not great enough for the Al5Pt alloy to form the decagonal phase. During the TEM study, a metastable hexagonal phase has been observed in the Al5Ir, Al5Pd and Al5Pt alloys. The lattic parameters calculated from the X-ray powder data of this phase are a=1.229 and c=2.647nm(Al-Pd) and a=1.231 and c=2.623nm(Al-Ir). The composition of this phase was determined by EDS analysis as Al4(Ir, Pd or Pt). It coexists with the decagonal phase in the alloys and transformed to other stable crystalline phases on heating to high temperature. A comparison between the EDPs of the hexagonal and the decagonal phase are shown in Fig.l. Fig. 1(a) is the EDPs of the decagonal phase in various orientions and the EDPs of the hexagonal phase are shown in Fig.1(b), in a similar arrangement as Fig.1(a). It can be clearly seen that the EDPs of the hexagonal phase, especially the distribution of strong spots, are quite similar to their partners of the decagonal quasicrystal in Fig.1(a). All the angles, shown in Fig.l, between two corresponding EDPs are very close to each other. All of these seem strongly to point out that a close structural relationshipexists between these two phases:[110]//d10 [001]//d2(D) //d2 (P)The structure of α-AlFeSi is well known [3] and the 54-atom Mackay icosahedron with double icosahedral shells in the α-AlFeSi structure [4] have been used to model the icosahedral quasicrystal structure. Fig.2(a) and (b) show, respectively, the [110] and [001] projections of the crystal structure of α- AlFeSi, and decagon-pentagons can easily be identified in the former and hexagons in the latter. In addition, the optical transforms of these projections show clearly decagons and hexagons of strong spots, quite similar to those in [110] and [001] EDPs in Fig.1(b). This not only proves the Al(Ir, Pt, Pd) metastable phase being icostructural with the α-AlFeSi phase but also explains the orientation relationship mentioned above.


2020 ◽  
Author(s):  
Junbo Wang ◽  
Yanyan Cui ◽  
Qingsong Wang ◽  
Kai Wang ◽  
Xiaohui Wang ◽  
...  

<p>Layered Li<i><sub>x</sub></i>MO<sub>2</sub> materials, a new class of high-entropy oxides, have been synthesized by nebulized spray pyrolysis. Specifically, the lattice structure of Li(Ni<sub>1/3</sub>Mn<sub>1/3</sub>Co<sub>1/3</sub>)O<sub>2</sub> (NCM111) cathode material has been replicated successfully while increasing the number of cations in equimolar proportions, thereby allowing transition to high-entropy oxide materials.</p>


2019 ◽  
Author(s):  
Jack Pedersen ◽  
Thomas Batchelor ◽  
Alexander Bagger ◽  
Jan Rossmeisl

Using the high-entropy alloys (HEAs) CoCuGaNiZn and AgAuCuPdPt as starting points we provide a framework for tuning the composition of disordered multi-metallic alloys to control the selectivity and activity of the reduction of carbon dioxide (CO2) to highly reduced compounds. By combining density functional theory (DFT) with supervised machine learning we predicted the CO and hydrogen (H) adsorption energies of all surface sites on the (111) surface of the two HEAs. This allowed an optimization for the HEA compositions with increased likelihood for sites with weak hydrogen adsorption{to suppress the formation of molecular hydrogen (H2) and with strong CO adsorption to favor the reduction of CO. This led to the discovery of several disordered alloy catalyst candidates for which selectivity towards highly reduced carbon compounds is expected, as well as insights into the rational design of disordered alloy catalysts for the CO2 and CO reduction reaction.


2019 ◽  
Author(s):  
Nirmal Kumar ◽  
Subramanian Nellaiappan ◽  
Ritesh Kumar ◽  
Kirtiman Deo Malviya ◽  
K. G. Pradeep ◽  
...  

<div>Renewable harvesting clean and hydrogen energy using the benefits of novel multicatalytic materials of high entropy alloy (HEA equimolar Cu-Ag-Au-Pt-Pd) from formic acid with minimum energy input has been achieved in the present investigation. The synthesis effect of pristine elements in the HEA drives the electro-oxidation reaction towards non-carbonaceous pathway . The atomistic simulation based on DFT rationalize the distinct lowering of the d-band center for the individual atoms in the HEA as compared to the pristine counterparts. This catalytic activity of the HEA has also been extended to methanol electro-oxidation to show the unique capability of the novel catalyst. The nanostructured HEA, properties using a combination of casting and cry omilling techniques can further be utilized as fuel cell anode in direct formic acid/methanol fuel cells (DFFE).<br></div>


Author(s):  
Janez Dolinšek ◽  
Stanislav Vrtnik ◽  
J. Lužnik ◽  
P. Koželj ◽  
M. Feuerbacher

2006 ◽  
Vol 31 (6) ◽  
pp. 723-736 ◽  
Author(s):  
Keng-Hao Cheng ◽  
Chia-Han Lai ◽  
Su-Jien Lin ◽  
Jien-Wei Yeh

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