First-principles study of single transition metal atoms on ZnO for the water gas shift reaction

2017 ◽  
Vol 7 (19) ◽  
pp. 4294-4301 ◽  
Author(s):  
Xiang-Kui Gu ◽  
Chuan-Qi Huang ◽  
Wei-Xue Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition ◽  
Shift Reaction ◽  
Water Gas

A single Ni atom substituted on a ZnO surface is a promising catalyst for the water gas shift reaction.

scholarly journals Correction: First-principles study of single transition metal atoms on ZnO for the water gas shift reaction

2017 ◽  
Vol 7 (19) ◽  
pp. 4534-4534
Author(s):  
Xiang-Kui Gu ◽  
Chuan-Qi Huang ◽  
Wei-Xue Li
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Single Transition ◽  
Shift Reaction ◽  
Water Gas

Correction for ‘First-principles study of single transition metal atoms on ZnO for the water gas shift reaction’ by Xiang-Kui Gu et al., Catal. Sci. Technol., 2017, DOI: 10.1039/c7cy00704c.

First-principles study on the mechanism of water-gas shift reaction on the Fe3O4 (111)-Fetet1

2021 ◽  
Vol 516 ◽  
pp. 111998
Author(s):  
Xiaoyan Liu ◽  
Zeyu Ma ◽  
Yu Meng ◽  
Ya-jun Ma ◽  
Xiao-dong Wen
Keyword(s):  
First Principles ◽  
Water Gas Shift ◽  
Water Gas Shift Reaction ◽  
First Principles Study ◽  
Shift Reaction ◽  
Water Gas

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

A first-principles study on zigzag phosphorene nanoribbons terminated by transition metal atoms

2020 ◽  
Author(s):  
Shuai Yang ◽  
Zhiyong Wang ◽  
Xueqiong Dai ◽  
Jianrong Xiao ◽  
Mengqiu Long
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms

Adsorption of 3d transition metal atoms on graphene-like gallium nitride monolayer: A first-principles study

2018 ◽  
Vol 115 ◽  
pp. 108-115 ◽  
Author(s):  
Guo-Xiang Chen ◽  
Han-Fei Li ◽  
Xu Yang ◽  
Jun-Qing Wen ◽  
Qing Pang ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Metal Atoms ◽  
Transition Metal Atoms
Sign in / Sign up

Export Citation Format

Share Document