scholarly journals O2 activation by core–shell Ru13@Pt42 particles in comparison with Pt55 particles: a DFT study

RSC Advances ◽  
2020 ◽  
Vol 10 (59) ◽  
pp. 36090-36100
Author(s):  
Jing Lu ◽  
Bo Zhu ◽  
Shigeyoshi Sakaki
Keyword(s):  
Theoretical Study ◽  
Dft Study ◽  
Core Shell ◽  
O2 Activation ◽  
Shell Particle ◽  
Dft Computations ◽  
Characteristic Features

In this theoretical study by DFT computations, characteristic features of the Ru13@Pt42 core–shell particle in O2 activation are clearly discussed in comparison with Pt55.

Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study

Fuel ◽  
2020 ◽  
Vol 278 ◽  
pp. 118305
Author(s):  
Yuting Li ◽  
Hui Shang ◽  
Qi Zhang ◽  
Mostafa Elabyouki ◽  
Wenhui Zhang
Keyword(s):  
Electric Field ◽  
Theoretical Study ◽  
Dft Study ◽  
Structure And Properties

Theoretical study of catalytic oxidation of CO on free PdxO2+ (x = 4–6) clusters: size dependent comparison of combustion

RSC Advances ◽  
2015 ◽  
Vol 5 (53) ◽  
pp. 42329-42340 ◽  
Author(s):  
Chandan Sahu ◽  
Deepanwita Ghosh ◽  
Abhijit K. Das
Keyword(s):  
Co Oxidation ◽  
Catalytic Oxidation ◽  
Theoretical Study ◽  
Dft Study ◽  
Oxidation Of Co ◽  
Catalytic Co Oxidation ◽  
Size Dependent ◽  
Catalytic Oxidation Of Co

A DFT study has been adopted to explore the catalytic CO oxidation on a free PdxO2+ (x = 4–6) cluster.

scholarly journals Microscopic Observations of Core‐Shell Particle Structure and Implications for Atmospheric Aerosol Remote Sensing

2018 ◽  
Vol 123 (24) ◽  
Author(s):  
Florin Unga ◽  
Marie Choël ◽  
Yevgeny Derimian ◽  
Karine Deboudt ◽  
Oleg Dubovik ◽  
...  
Keyword(s):  
Remote Sensing ◽  
Atmospheric Aerosol ◽  
Core Shell ◽  
Particle Structure ◽  
Shell Particle ◽  
Aerosol Remote Sensing

Prediction and experiment of core-shell particle morphology of vinyl acetate and butyl acrylate

2002 ◽  
Vol 83 (13) ◽  
pp. 2930-2937 ◽  
Author(s):  
Peiqin Sun ◽  
Ke Zhao ◽  
Dazhuang Liu ◽  
Dongxia Huo
Keyword(s):  
Vinyl Acetate ◽  
Butyl Acrylate ◽  
Particle Morphology ◽  
Core Shell ◽  
Shell Particle
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