alloy cluster
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2019 ◽  
Vol 2 (6) ◽  
pp. 4175-4187 ◽  
Author(s):  
Wataru Kurashige ◽  
Rui Hayashi ◽  
Kosuke Wakamatsu ◽  
Yuki Kataoka ◽  
Sakiat Hossain ◽  
...  

2019 ◽  
Vol 2 (7) ◽  
pp. 1900015 ◽  
Author(s):  
Mattias Ångqvist ◽  
William A. Muñoz ◽  
J. Magnus Rahm ◽  
Erik Fransson ◽  
Céline Durniak ◽  
...  

2019 ◽  
Vol 32 (2) ◽  
pp. 253-258
Author(s):  
Zhong-qi Xu ◽  
Chang Liu ◽  
Wei-feng Luo ◽  
Fei Liu ◽  
Min Han

2019 ◽  
Vol 1 (2) ◽  
pp. 735-745 ◽  
Author(s):  
Ying-Jin Wang ◽  
Lin-Yan Feng ◽  
Hua-Jin Zhai

Alloying a B10 cluster with Ca lowers the rotation barrier by one order of magnitude (down to 1 kcal mol−1), leading to a fluxional B10Ca tank tread at the subnanoscale.


Author(s):  
Patrik Dobroň ◽  
Daria Drozdenko ◽  
Marius Hegedűs ◽  
Juraj Olejňák ◽  
Klaudia Horváth ◽  
...  

2017 ◽  
Vol 8 (13) ◽  
pp. 2787-2793 ◽  
Author(s):  
Shridevi Bhat ◽  
Ananya Baksi ◽  
Sathish Kumar Mudedla ◽  
Ganapati Natarajan ◽  
V. Subramanian ◽  
...  
Keyword(s):  

AIP Advances ◽  
2017 ◽  
Vol 7 (6) ◽  
pp. 065216
Author(s):  
Hongyan Chen ◽  
Ping Wang ◽  
Jingsi Cheng ◽  
Zhaoling Li ◽  
Lixin Guo

2016 ◽  
Vol 18 (16) ◽  
pp. 10906-10917 ◽  
Author(s):  
Andreas W. Hauser ◽  
Paul R. Horn ◽  
Martin Head-Gordon ◽  
Alexis T. Bell

The dehydrogenation of propane over platinum-based bimetallic nanoparticles is analyzed by the application of density functional theory to a series of tetrahedral Pt3X cluster models.


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