[O82] Icosahedral-decahedral transformation in the Pd-Ag bimetallic cluster induced by Ag atomic segregation

Calphad ◽  
2015 ◽  
Vol 51 ◽  
pp. 370
Author(s):  
Guojian Li ◽  
Kai Wang ◽  
Jiaojiao Du ◽  
Qiang Wang
Keyword(s):  
Bimetallic Cluster ◽  
Atomic Segregation

MOLECULAR DYNAMICS SIMULATION STUDY OF ATOMIC SEGREGATION OF (PdPt)147 DURING THE HEATING PROCESS

2012 ◽  
Vol 26 (08) ◽  
pp. 1250051 ◽  
Author(s):  
X. Y. XIAO ◽  
Z. F. CHENG ◽  
J. H. XIA
Keyword(s):  
Molecular Dynamics ◽  
Melting Process ◽  
Dynamics Simulation ◽  
Heating Process ◽  
Embedded Atom Method ◽  
Bimetallic Cluster ◽  
Embedded Atom ◽  
Atomic Segregation ◽  
Segregation Process ◽  
Alloy Concentration

Research on the influence of alloy concentration and distribution on bimetallic cluster plays a key role in exploring new structural material. This paper studies the melting process of icosahedral bimetallic cluster (PdPt)147 with different Pt concentrations and different atomic distributions by using molecular dynamics with an embedded atom method. The results indicate that the mixed Pd–Pt cluster shows an irregular phenomenon between 580 and 630 K, i.e. the atomic energy decreases with the increase of temperature. This is because the surface energy of Pd is lower than that of Pt; the decreased energy due to Pd atomic segregation is larger than the increased energy due to heating during the segregation process. In addition, the temperature of Pd atomic segregation is strongly related to Pt concentration. This leads to that Pd atoms prefer to remain on the surface even after the cluster melted.

scholarly journals Gas adsorbate-induced Au atomic segregation and clustering from Cu(Au)

2020 ◽  
Vol 64 (5) ◽  
pp. 1256-1266
Author(s):  
Lifeng Zhang ◽  
Zejian Dong ◽  
Shuangbao Wang ◽  
Langli Luo
Keyword(s):  
Atomic Segregation

Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components

2022 ◽  
Author(s):  
Jiao He ◽  
chenglong deng ◽  
Cunfa Sun ◽  
Xiao-Xiao Zhang ◽  
Ying Cui ◽  
...  
Keyword(s):  
Ion Pairs ◽  
Spontaneous Resolution ◽  
Bimetallic Cluster ◽  
Cluster Ion ◽  
Anionic Cluster

Bimetallic cluster ion pairs containing a quaternary phosphonium and an ultrasmall Cu2Ag3 anionic cluster protected by thiolates: (PPh3R″)[Cu2Ag3(SR′)6] (R′SH = cyclohexylthiol (CySH), R″ = Ph, 1; Me, 2; Et, 3;...

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