Structure–property–activity correlations of Pt-bimetallic nanoparticles: A theoretical study

2013 ◽  
Vol 88 ◽  
pp. 604-613 ◽  
Author(s):  
Qingying Jia ◽  
Carlo U. Segre ◽  
David Ramaker ◽  
Keegan Caldwell ◽  
Matthew Trahan ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bimetallic Nanoparticles ◽  
Structure Property

scholarly journals Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides

2017 ◽  
Vol 1129 ◽  
pp. 271-282 ◽  
Author(s):  
Nebojša R. Banjac ◽  
Bojan Đ. Božić ◽  
Jelena M. Mirković ◽  
Vesna D. Vitnik ◽  
Željko J. Vitnik ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

Ag–Cu Bimetallic Nanoparticles with Enhanced Resistance to Oxidation: A Combined Experimental and Theoretical Study

2014 ◽  
Vol 118 (45) ◽  
pp. 26324-26331 ◽  
Author(s):  
Na Rae Kim ◽  
Kihyun Shin ◽  
Inyu Jung ◽  
Moonsub Shim ◽  
Hyuck Mo Lee
Keyword(s):  
Theoretical Study ◽  
Bimetallic Nanoparticles ◽  
Enhanced Resistance ◽  
Resistance To Oxidation

Sodium Alginate-Assisted Synthesis of PdAg Bimetallic Nanoparticles and their Enhanced Activity for Electrooxidation of Ethanol

NANO ◽  
2019 ◽  
Vol 14 (09) ◽  
pp. 1950120
Author(s):  
Yanru Yin ◽  
Changna Wen ◽  
Ning Ma ◽  
Baoyan Wang ◽  
Lianying Zhang ◽  
...  
Keyword(s):  
Sodium Alginate ◽  
Palladium Nanoparticles ◽  
Bimetallic Nanoparticles ◽  
Structure Property ◽  
Structure Property Relationship ◽  
Bimetallic Nanocrystals ◽  
Relationship Of ◽  
Bimetallic Palladium ◽  
Pure Palladium ◽  
Palladium Silver

Palladium and palladium-silver bimetallic nanocrystals have been synthesized hydrothermally by using environmental-friendly sodium alginate as the stabilizer and reducing agent. The pure palladium nanoparticles were spherical-like possibly due to the principle of the lowest surface energy, however, the formation of bimetallic palladium-silver nanoparticles was much more complicated, which was thinner and more irregular nanostructures than pure palladium nanoparticles. Electrochemical measurements showed that the electrocatalytic activity toward ethanol oxidation was increased first with the increase of silver content in bimetallic nanoparticles, from pure palladium of around 1070[Formula: see text]mA/mg, to PdAg-20 of 1160[Formula: see text]mA/mg and to PdAg-10 of 1750[Formula: see text]mA/mg, and declined greatly at a high content of silver, approximately 279[Formula: see text]mA/mg. Electrochemical stability test showed that PdAg-10 and PdAg-5 were the best and worst among four palladium-based samples, respectively. Based on the experimental data, the formation mechanism of pure palladium and palladium-silver bimetallic nanoparticles and the structure-property relationship of these samples have been discussed.

Constructing stable phenalenyl-based neutral radicals: a theoretical study

2020 ◽  
Vol 8 (35) ◽  
pp. 12224-12230
Author(s):  
Ping Li ◽  
Shuang Wang ◽  
Zijie Wang ◽  
Chao Zheng ◽  
Yuting Tang ◽  
...  
Keyword(s):  
Systematic Study ◽  
Theoretical Study ◽  
Organic Radicals ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship

A systematic study of phenalenyl-based radicals is carried out theoretically to elucidate the structure–property relationship for designing stable organic radicals.

Aggregation Effects on Photophysical Properties of NBN-Doped Polycyclic Aromatic Hydrocarbons: A Theoretical Study

2021 ◽  
Author(s):  
Yi Zeng ◽  
Junfang Yang ◽  
Xiaoyan Zheng
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Structure Property ◽  
Vital Importance ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Polycyclic Aromatic ◽  
Boron Nitrogen

To realize the precise munipulation of the optoelectrical properties of boron–nitrogen (B–N) unit-doped Polycyclic aromatic hydrocarbons (PAHs), unraveling the structure-property relationship behind is of vital importance. In this work, we...

Ni Dithiolenes - A Theoretical Study on Structure-Property Relationships

2013 ◽  
Vol 2013 (27) ◽  
pp. 4839-4850 ◽  
Author(s):  
Aggelos Avramopoulos ◽  
Heribert Reis ◽  
George A. Mousdis ◽  
Manthos G. Papadopoulos
Keyword(s):  
Theoretical Study ◽  
Structure Property ◽  
Structure Property Relationships
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