scholarly journals DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects

2018 ◽  
Vol 208 ◽  
pp. 497-522 ◽  
Author(s):  
L. G. Verga ◽  
J. Aarons ◽  
M. Sarwar ◽  
D. Thompsett ◽  
A. E. Russell ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Platinum Nanoparticles ◽  
Size Effects ◽  
Dft Calculation ◽  
Pt Nanoparticles ◽  
Oxygen Adsorption ◽  
Nanoparticle Size

DFT calculations are used to simultaneously explore the effects of nanoparticle size and coverage for O adsorption on Pt nanoparticles.

scholarly journals Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support

2018 ◽  
Vol 20 (40) ◽  
pp. 25918-25930 ◽  
Author(s):  
L. G. Verga ◽  
A. E. Russell ◽  
C.-K. Skylaris
Keyword(s):  
Dft Calculations ◽  
Co Adsorption ◽  
Pt Nanoparticles ◽  
Nanoparticle Size ◽  
Support Effects

DFT calculations reveal aspects of size and support effects for Pt nanoparticles on graphene interacting with O, CO and ethanol.

Adsorption mechanism of two pesticides on polyethylene and polypropylene microplastics: DFT calculations and particle size effects

2021 ◽  
Vol 291 ◽  
pp. 118120
Author(s):  
Qiming Mo ◽  
Xingjian Yang ◽  
Jinjin Wang ◽  
Huijuan Xu ◽  
Wenyan Li ◽  
...  
Keyword(s):  
Particle Size ◽  
Dft Calculations ◽  
Size Effects ◽  
Adsorption Mechanism ◽  
Particle Size Effects

Size-Dependence of the Adsorption Energy of CO on Pt Nanoparticles: Tracing Two Intersecting Trends by DFT Calculations

2017 ◽  
Vol 121 (32) ◽  
pp. 17371-17377 ◽  
Author(s):  
Svetlana S. Laletina ◽  
Mikhail Mamatkulov ◽  
Elena A. Shor ◽  
Vasily V. Kaichev ◽  
Alexander Genest ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Adsorption Energy ◽  
Size Dependence ◽  
Pt Nanoparticles

Platinum nanoparticles partially-embedded into carbon sphere surfaces: a low metal-loading anode catalyst with superior performance for direct methanol fuel cells

2017 ◽  
Vol 5 (37) ◽  
pp. 19857-19865 ◽  
Author(s):  
Kui Li ◽  
Zhao Jin ◽  
Junjie Ge ◽  
Changpeng Liu ◽  
Wei Xing
Keyword(s):  
Fuel Cells ◽  
Platinum Nanoparticles ◽  
Direct Methanol Fuel Cells ◽  
Pt Nanoparticles ◽  
Superior Performance ◽  
Carbon Sphere ◽  
Carbon Spheres ◽  
Anode Catalyst ◽  
Direct Methanol ◽  
Methanol Fuel Cells

A robust architecture, consisting of Pt nanoparticles partially-embedded in carbon spheres with low loading, brings about outstanding electrocatalytic performance in DMFCs.

Role of Quantum-size Effects on the Dehydrogenation of CH4 on 3d TMn Clusters: DFT Calculations Combined with Data Mining

2022 ◽  
Author(s):  
Karla Furtado Andriani ◽  
Priscilla Felício Sousa ◽  
Felipe Orlando Morais ◽  
Juarez L. F. Da Silva
Keyword(s):  
Data Mining ◽  
Transition Metal ◽  
Dft Calculations ◽  
Theoretical Investigation ◽  
Size Effects ◽  
Metal Clusters ◽  
Quantum Size Effects ◽  
Transition Metal Clusters ◽  
Quantum Size

In this work, we report a theoretical investigation of the role of quantum-size effects (QSE) on the dehydrogenation of methane (CH4) on 3d transition-metal clusters, TMn , where TM =...

scholarly journals Enhanced electrocatalytic performance of platinum nanoparticles on thiolated polyaniline-multiwalled carbon nanotubes for methanol oxidation

RSC Advances ◽  
2018 ◽  
Vol 8 (59) ◽  
pp. 33742-33747 ◽  
Author(s):  
Zhaohong Su ◽  
Chaorong Li ◽  
Yongbing Cheng ◽  
Qingwen Gui ◽  
Yuanfu Xiong ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Multiwalled Carbon Nanotubes ◽  
Methanol Oxidation ◽  
Platinum Nanoparticles ◽  
Electrocatalytic Oxidation ◽  
Pt Nanoparticles ◽  
Acidic Media ◽  
Multiwalled Carbon ◽  
Oxidation Of Methanol ◽  
Electrocatalytic Performance

Pt nanoparticles (PtNPs) well-dispersed on thiolated polyaniline (TPANI)-multiwalled carbon nanotubes (MWCNTs) were prepared for enhanced electrocatalytic oxidation of methanol in acidic media.

Utilizing the thermodynamic nanoparticle size effects for low temperature Pb-free solder

2012 ◽  
Vol 177 (2) ◽  
pp. 197-204 ◽  
Author(s):  
John P. Koppes ◽  
Kevin A. Grossklaus ◽  
Anthony R. Muza ◽  
R. Rao Revur ◽  
Suvankar Sengupta ◽  
...  
Keyword(s):  
Low Temperature ◽  
Size Effects ◽  
Nanoparticle Size ◽  
Free Solder

Graphene nanosheets loaded with Pt nanoparticles with enhanced electrochemical performance for sodium–oxygen batteries

2015 ◽  
Vol 3 (6) ◽  
pp. 2568-2571 ◽  
Author(s):  
Sanpei Zhang ◽  
Zhaoyin Wen ◽  
Kun Rui ◽  
Chen Shen ◽  
Yan Lu ◽  
...  
Keyword(s):  
Electrochemical Performance ◽  
Hydrothermal Method ◽  
Platinum Nanoparticles ◽  
Graphene Nanosheets ◽  
Pt Nanoparticles ◽  
Highly Dispersed ◽  
Enhanced Electrochemical Performance

Graphene nanosheets loaded with highly dispersed platinum nanoparticles (Pt@GNSs) are prepared by a simple and effective hydrothermal method.

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