E-resources
-
Hossain, Md Delowar; Liu, Zhenjing; Zhuang, Minghao; Yan, Xingxu; Xu, Gui‐Liang; Gadre, Chaitanya Avinash; Tyagi, Abhishek; Abidi, Irfan Haider; Sun, Cheng‐Jun; Wong, Hoilun; Guda, Alexander; Hao, Yufeng; Pan, Xiaoqing; Amine, Khalil; Luo, Zhengtang
Advanced energy materials, March 13, 2019, Volume: 9, Issue: 10Journal Article
The proper choice of nonprecious transition metals as single atom catalysts (SACs) remains unclear for designing highly efficient electrocatalysts for hydrogen evolution reaction (HER). Herein, reported is an activity correlation with catalysts, electronic structure, in order to clarify the origin of reactivity for a series of transition metals supported on nitrogen‐doped graphene as SACs for HER by a combination of density functional theory calculations and electrochemical measurements. Only few of the transition metals (e.g., Co, Cr, Fe, Rh, and V) as SACs show good catalytic activity toward HER as their Gibbs free energies are varied between the range of –0.20 to 0.30 eV but among which Co‐SAC exhibits the highest electrochemical activity at 0.13 eV. Electronic structure studies show that the energy states of active valence dz2 orbitals and their resulting antibonding state determine the catalytic activity for HER. The fact that the antibonding state orbital is neither completely empty nor fully filled in the case of Co‐SAC is the main reason for its ideal hydrogen adsorption energy. Moreover, the electrochemical measurement shows that Co‐SAC exhibits a superior hydrogen evolution activity over Ni‐SAC and W‐SAC, confirming the theoretical calculation. This systematic study gives a fundamental understanding about the design of highly efficient SACs for HER. The origin of single atom catalytic activity for hydrogen evolution reaction is explored via mutual collaboration of computational prediction and experimental validation. It is found that single atom catalytic activity depends on their valence orbital states, showing excellent correlation with charge transfer and activity descriptors. This systematic study will open a new direction to design heterogeneous catalysts for hydrogen evolution reaction.
![loading ... loading ...](themes/default/img/ajax-loading.gif)
Shelf entry
Permalink
- URL:
Impact factor
Access to the JCR database is permitted only to users from Slovenia. Your current IP address is not on the list of IP addresses with access permission, and authentication with the relevant AAI accout is required.
Year | Impact factor | Edition | Category | Classification | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Select the library membership card:
If the library membership card is not in the list,
add a new one.
DRS, in which the journal is indexed
Database name | Field | Year |
---|
Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
---|
Source: Personal bibliographies
and: SICRIS
The material is available in full text. If you wish to order the material anyway, click the Continue button.