Density functional theory study of oxygen reduction reaction on Pt/Pd3Al(111) alloy electrocatalyst

Physical Chemistry Chemical Physics ◽

10.1039/c6cp01066k ◽

2016 ◽

Vol 18 (21) ◽

pp. 14234-14243 ◽

Author(s):

B. B. Xiao ◽

X. B. Jiang ◽

Q. Jiang

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Intensive Research

Developing efficient catalysts for the oxygen reduction reaction (ORR) to reduce cathode Pt loading without sacrificing the performance has been under intensive research.

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Iron-zinc bimetal embedded N-doped graphene for the oxygen reduction reaction catalysis: A density functional theory study

Diamond and Related Materials ◽

10.1016/j.diamond.2021.108431 ◽

2021 ◽

pp. 108431

Author(s):

Shihong Huang ◽

Qingan Qiao ◽

Xin Chen ◽

Shenglan Qing

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

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A Density Functional Theory Study of the Two-Dimensional Bis(iminothiolato)metal Monolayers as Efficient Electrocatalysts for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b11890 ◽

2020 ◽

Vol 124 (14) ◽

pp. 7803-7811 ◽

Author(s):

Guanru Xing ◽

Lin Cheng ◽

Kai Li ◽

Yan Gao ◽

Hao Tang ◽

...

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Two Dimensional ◽

Density Functional Theory Study ◽

Functional Theory

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Oxygen reduction reaction on M-S4 embedded graphene: A density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2015.10.067 ◽

2015 ◽

Vol 641 ◽

pp. 112-116 ◽

Author(s):

Peng Zhang ◽

Xiuli Hou ◽

Jianli Mi ◽

Lei Liu ◽

Mingdong Dong

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Oxygen Reduction Reaction on Different Types of N-Doped Graphene

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201512091 ◽

2016 ◽

Vol 32 (1) ◽

pp. 321-328 ◽

Author(s):

Jun WANG ◽

◽

Li LI ◽

Zi-Dong WEI

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Different Types ◽

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Transition metal atom doped C2N as catalyst for the oxygen reduction reaction: A density functional theory study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.07.103 ◽

2020 ◽

Vol 45 (51) ◽

pp. 27202-27209

Author(s):

Shangyu Lin ◽

Qingan Qiao ◽

Xin Chen ◽

Rui Hu ◽

Nanjun Lai

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Transition Metal Atom ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of the oxygen reduction reaction mechanism in a BN co-doped graphene electrocatalyst

Journal of Materials Chemistry A ◽

10.1039/c4ta01460j ◽

2014 ◽

Vol 2 (26) ◽

pp. 10273 ◽

Author(s):

Shyam Kattel ◽

Plamen Atanassov ◽

Boris Kiefer

Keyword(s):

Density Functional Theory ◽

Reaction Mechanism ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Graphene ◽

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Density Functional Theory Study of the Oxygen Reduction Reaction on a Cobalt–Polypyrrole Composite Catalyst

The Journal of Physical Chemistry C ◽

10.1021/jp300638e ◽

2012 ◽

Vol 116 (23) ◽

pp. 12553-12558 ◽

Author(s):

Xin Chen ◽

Fan Li ◽

Xiayan Wang ◽

Shaorui Sun ◽

Dingguo Xia

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Composite Catalyst ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polypyrrole Composite

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A density functional theory study of oxygen reduction reaction on Me–N4 (Me = Fe, Co, or Ni) clusters between graphitic pores

Journal of Materials Chemistry A ◽

10.1039/c3ta12142a ◽

2013 ◽

Vol 1 (36) ◽

pp. 10790 ◽

Author(s):

Shyam Kattel ◽

Guofeng Wang

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density Functional Theory Study of Pt3M Alloy Surface Segregation with Adsorbed O/OH and Pt3Os as Catalysts for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/jp507103c ◽

2014 ◽

Vol 118 (46) ◽

pp. 26703-26712 ◽

Author(s):

Ho-Cheng Tsai ◽

Ted H. Yu ◽

Yao Sha ◽

Boris V. Merinov ◽

Pu-Wei Wu ◽

...

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Surface Segregation ◽

Reduction Reaction ◽

Alloy Surface ◽

Density Functional Theory Study ◽

Functional Theory

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Oxygen Reduction Reaction on Cobalt–(6)Pyrrole Cluster: Density Functional Theory Study

Journal of the Physical Society of Japan ◽

10.1143/jpsj.81.034703 ◽

2012 ◽

Vol 81 (3) ◽

pp. 034703 ◽

Author(s):

Adhitya G. Saputro ◽

Febdian Rusydi ◽

Hideaki Kasai ◽

Hermawan K. Dipojono

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster Density

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