4.8 Article

Development of a Ni-Doped VAl3 Topological Semimetal with a Significantly Enhanced HER Catalytic Performance

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 12, Issue 15, Pages 3740-3748

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c00238

Keywords

-

Funding

  1. Natural Science Foundation of China [52073075]
  2. Shenzhen Science and Technology Program [KQTD20170809110344233]

Ask authors/readers for more resources

This study introduces a new topological semimetal compound VAl3 as an electrocatalyst for the hydrogen evolution reaction (HER) and successfully synthesizes the material. Through density functional theory calculations and experimental validation, the nickel-doped V0.75Ni0.25Al3 alloy exhibits superior electrocatalytic performance.
Topological materials with robust topological surface states appear to be well-suited as electrochemical catalysts. However, few studies have been published on the development of non-noble metal topological catalysts, most likely because the topological properties tend to be attributed to the s and p orbital electrons, while transition-metal catalysis mainly involves d orbital electrons. Herein, we proposed a topological semimetallic (TSM) compound, VAl3, with a surface state consisting mainly of d orbital electrons, as an electrocatalyst for the hydrogen evolution reaction (HER). Density functional theory (DFT) calculations showed that the surface state electrons enhanced the adsorption of H atoms. Moreover, the transfer of surface state electrons between the surface and adsorbed H atoms was optimized through nickel doping. We experimentally prepared single-crystals VAl3 and V0.75Ni0.25Al3 alloys. Electrochemical analysis showed that not only did V0.75Ni0.25Al3 outperform VAl3 but also it was among the best non-noble metal topological HER electrocatalysts currently available.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.8
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available