A comparison of the dominant pathways for the methanol dehydrogenation to CO on Pt7 and Pt7−xNix (x=1, 2, 3) bimetallic clusters: A DFT study

2014 ◽  
Vol 1032 ◽  
pp. 73-83 ◽  
Author(s):  
Wenlong Guo ◽  
Wei Quan Tian ◽  
Xin Lian ◽  
Feila Liu ◽  
Ming Zhou ◽  
...  
Keyword(s):  
Dft Study ◽  
Bimetallic Clusters ◽  
Methanol Dehydrogenation

scholarly journals Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT Study

2021 ◽  
Author(s):  
Yu-Jie Zhong ◽  
Jian-Hong Liao ◽  
Tzu-Hao Chiu ◽  
Ying-Yann Wu ◽  
Samia Kahlal ◽  
...  
Keyword(s):  
Dft Study ◽  
Bimetallic Clusters ◽  
X Ray

Encouraged by the successful syntheses of alloy nanoclusters (or nanoparticles) via intercluster (or interparticle) reactions, herein we apply this methodology to prepare a series of bimetallic hydride clusters. Mixing of...

The mechanism of methanol dehydrogenation on the PdAu(1 0 0) surface: A DFT study

2020 ◽  
Vol 510 ◽  
pp. 145434
Author(s):  
Minhua Zhang ◽  
Yufei Wu ◽  
Yingzhe Yu
Keyword(s):  
Dft Study ◽  
Methanol Dehydrogenation

scholarly journals Composition-Tuned Pt-Skinned PtNi Bimetallic Clusters as Highly Efficient Methanol Dehydrogenation Catalysts

2019 ◽  
Vol 31 (24) ◽  
pp. 10040-10048 ◽  
Author(s):  
Ting-Wei Liao ◽  
Anupam Yadav ◽  
Piero Ferrari ◽  
Yubiao Niu ◽  
Xian-Kui Wei ◽  
...  
Keyword(s):  
Bimetallic Clusters ◽  
Methanol Dehydrogenation ◽  
Highly Efficient

A DFT study of PtAu bimetallic clusters adsorbed on MgO/Ag(100) ultrathin films

2010 ◽  
Vol 12 (24) ◽  
pp. 6352 ◽  
Author(s):  
Sabrina Sicolo ◽  
Gianfranco Pacchioni
Keyword(s):  
Ultrathin Films ◽  
Dft Study ◽  
Bimetallic Clusters

Global minimum structures, stability and electronic properties of small Fe x Cu y (x + y ≤ 5) bimetallic clusters: a DFT study

2017 ◽  
Vol 71 (11) ◽  
Author(s):  
Elisa Marina Sosa-Hernández ◽  
Juan Martin Montejano-Carrizales ◽  
Pedro Gilberto Alvarado-Leyva
Keyword(s):  
Electronic Properties ◽  
Global Minimum ◽  
Dft Study ◽  
Bimetallic Clusters

Global minimum structures, stability and electronic properties of small NixSny (x + y ≤ 5) bimetallic clusters; a DFT study

2016 ◽  
Vol 70 (10) ◽  
Author(s):  
Elisa Marina Sosa-Hernández ◽  
Juan Martin Montejano-Carrizales ◽  
Pedro Gilberto Alvarado-Leyva
Keyword(s):  
Electronic Properties ◽  
Global Minimum ◽  
Dft Study ◽  
Bimetallic Clusters

A DFT study of methanol dehydrogenation on the PdIn(110) surface

2012 ◽  
Vol 14 (48) ◽  
pp. 16660 ◽  
Author(s):  
Jingyun Ye ◽  
Changjun Liu ◽  
Qingfeng Ge
Keyword(s):  
Dft Study ◽  
Methanol Dehydrogenation

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
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