First-principles Simulation of Kinetics of Oxygen Reduction Reaction on Platinum Nanoparticles

Dispersive force corrected density functional theory is used to map the oxygen reduction reaction (ORR) kinetics of six kinds of graphyne (Gy) and graphdiyne (Gdy) systems (namely αGy, βGy, γGy, δGy, 6,6,12Gy, RGy and Gdy) with substitutional boron (B) atom doping.

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Theoretical analysis of the effect of particle size and support on the kinetics of oxygen reduction reaction on platinum nanoparticles

Nanoscale ◽

10.1039/c2nr30572k ◽

2012 ◽

Vol 4 (16) ◽

pp. 5110 ◽

Cited By ~ 24

Author(s):

Venkatasubramanian Viswanathan ◽

Frank Yi-Fei Wang

Keyword(s):

Particle Size ◽

Theoretical Analysis ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Platinum Nanoparticles ◽

Reduction Reaction ◽

Effect Of Particle Size ◽

Kinetics Of

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First-principles study of interfacial effects toward oxygen reduction reaction of palladium/La1-xSrxCo1-yFeyO3-δ cathodes in solid oxide fuel cells

Applied Surface Science ◽

10.1016/j.apsusc.2021.150218 ◽

2021 ◽

pp. 150218

Author(s):

Mingrui Wei ◽

Haizhao Li ◽

Xiyong Chen ◽

Guanlun Guo ◽

Yihui Liu ◽

...

Keyword(s):

Fuel Cells ◽

Solid Oxide Fuel Cells ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

Solid Oxide ◽

Oxide Fuel ◽

Interfacial Effects ◽

First Principles Study

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First-principles data integrated machine learning approach for high-throughput searching of ternary electrocatalyst toward oxygen reduction reaction

Chem Catalysis ◽

10.1016/j.checat.2021.06.001 ◽

2021 ◽

Author(s):

Hoje Chun ◽

Eunjik Lee ◽

Kyungju Nam ◽

Ji-Hoon Jang ◽

Woomin Kyoung ◽

...

Keyword(s):

Machine Learning ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

High Throughput ◽

First Principles ◽

Reduction Reaction ◽

Learning Approach ◽

Machine Learning Approach

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Covalent Hybridization of Thiolated Graphene Sheet and Platinum Nanoparticles for Electrocatalytic Oxygen Reduction Reaction

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2012.6674 ◽

2012 ◽

Vol 12 (11) ◽

pp. 8349-8355 ◽

Cited By ~ 24

Author(s):

Mohammad Shamsuddin Ahmed ◽

Daekun Kim ◽

Hyoung Soon Han ◽

Haesang Jeong ◽

Seungwon Jeon

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Graphene Sheet ◽

Platinum Nanoparticles ◽

Reduction Reaction ◽

Electrocatalytic Oxygen Reduction

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Kinetics of oxygen reduction reaction at electrochemically fabricated tin-palladium bimetallic electrocatalyst in acidic media

Electrochimica Acta ◽

10.1016/j.electacta.2010.08.082 ◽

2010 ◽

Vol 56 (1) ◽

pp. 285-290 ◽

Cited By ~ 11

Author(s):

Md. Rezwan Miah ◽

Jahangir Masud ◽

Takeo Ohsaka

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Reduction Reaction ◽

Acidic Media ◽

Kinetics Of

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First principles study on the oxygen reduction reaction of Ir@Pt Core-Shell structure

Chemical Physics ◽

10.1016/j.chemphys.2021.111356 ◽

2021 ◽

pp. 111356

Author(s):

Yanli Lu ◽

Haipeng Zhang ◽

Yifan Wang ◽

Zheng Chen

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Shell Structure ◽

Reduction Reaction ◽

Core Shell ◽

First Principles Study ◽

Core Shell Structure

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Oxygen reduction on zirconium-stabilized-PdO surfaces: a first-principles study

RSC Advances ◽

10.1039/c7ra06939a ◽

2017 ◽

Vol 7 (65) ◽

pp. 41057-41062 ◽

Cited By ~ 1

Author(s):

Xiaofeng Yang ◽

Zongbao Li ◽

Xinyu Li ◽

Ao Wang ◽

Lichao Jia ◽

...

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Relative Stability ◽

Reduction Reaction ◽

First Principles Calculations ◽

First Principles Study

The oxygen reduction reaction properties on PdO and Zr-doped PdO surfaces, and the relative stability of the concerned surfaces, have been studied by first-principles calculations.

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