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 ◽

Download Full-text

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 ◽

Download Full-text

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 ◽

Download Full-text

How Do the Coadsorbates Affect the Oxygen Reduction Reaction Activity of Undoped and N-Doped Graphene Nanoribbon Edges? A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c06716 ◽

2020 ◽

Vol 124 (42) ◽

pp. 23177-23189

Author(s):

Dragoş Lucian Isac ◽

Ştefan-Gabriel Şoriga ◽

Isabela-Costinela Man

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Graphene Nanoribbon ◽

Density Functional Theory Study ◽

Oxygen Reduction Reaction Activity ◽

Functional Theory ◽

Download Full-text

N‐Doped Graphene Supported on Metal‐Iron Carbide as a Catalyst for the Oxygen Reduction Reaction: Density Functional Theory Study

ChemSusChem ◽

10.1002/cssc.201903035 ◽

2020 ◽

Vol 13 (5) ◽

pp. 996-1005 ◽

Author(s):

Tipaporn Patniboon ◽

Heine Anton Hansen

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Iron Carbide ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Download Full-text

A density functional theory study on oxygen reduction reaction on nitrogen-doped graphene

Journal of Molecular Modeling ◽

10.1007/s00894-013-2047-x ◽

2013 ◽

Vol 19 (12) ◽

pp. 5515-5521 ◽

Author(s):

Jing Zhang ◽

Zhijian Wang ◽

Zhenping Zhu

Keyword(s):

Density Functional Theory ◽

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

Density Functional ◽

Reduction Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nitrogen Doped ◽

Nitrogen Doped Graphene ◽

Download Full-text

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.

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text