Importance of Pd monomer pairs in enhancing the oxygen reduction reaction activity of the AuPd(1 0 0) surface: A first principles study

2016 ◽  
Vol 263 ◽  
pp. 11-15 ◽  
Author(s):  
Hyung Chul Ham ◽  
Gyeong S. Hwang ◽  
Jonghee Han ◽  
Sung Pil Yoon ◽  
Suk Woo Nam ◽  
...  
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
Oxygen Reduction Reaction Activity ◽  
First Principles Study

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

RSC Advances ◽  
2017 ◽  
Vol 7 (65) ◽  
pp. 41057-41062 ◽  
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.

Revealing the oxygen reduction reaction activity origin of single atoms supported on g-C3N4 monolayers: a first-principles study

2020 ◽  
Vol 8 (14) ◽  
pp. 6555-6563 ◽  
Author(s):  
Huan Niu ◽  
Xiting Wang ◽  
Chen Shao ◽  
Yuanshuang Liu ◽  
Zhaofu Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Electronic Structures ◽  
Reduction Reaction ◽  
Multiple Level ◽  
Oxygen Reduction Reaction Activity ◽  
Single Atoms ◽  
Basic Characteristics

Pd/g-C3N4 stands out for the ORR, and multiple-level descriptors involving basic characteristics, electronic structures, charge transfer and energy are established.

First-principles study of Pd-skin/Pd3Fe(111) electrocatalyst for oxygen reduction reaction

2017 ◽  
Vol 47 (6) ◽  
pp. 747-754 ◽  
Author(s):  
Do Ngoc Son ◽  
Pham Ngoc Thanh ◽  
Nguyen Dinh Quang ◽  
Kaito Takahashi ◽  
My Phuong Pham-Ho
Keyword(s):  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
First Principles ◽  
Reduction Reaction ◽  
First Principles Study
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