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Selenium-vacancy-rich WSe2 for nitrate electroreduction to ammonia.
Peng Shen1, Guohui Wang1, Kai Chen1
1School of Materials Science and Engineering, Lanzhou Jiaotong University, Lanzhou 730070, China.
Journal of Colloid and Interface Science
|September 11, 2022
Summary
Se-vacancy-rich WSe2 efficiently converts nitrate to ammonia via electrocatalysis. This discovery offers a promising pathway for sustainable ammonia production, outperforming materials without Se-vacancies.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Electrocatalytic nitrate reduction to ammonia (NO3RR) is a key process for sustainable ammonia synthesis.
- Developing efficient and selective catalysts is crucial for advancing NO3RR technology.
Purpose of the Study:
- To investigate the efficacy of Se-vacancy-rich WSe2 (WSe2-x) nanoplatelets as a catalyst for NO3RR.
- To understand the role of Se-vacancies in enhancing catalytic performance.
Main Methods:
- Synthesis of Se-vacancy-rich WSe2-x nanoplatelets.
- Electrocatalytic performance testing for NO3RR.
- Density Functional Theory (DFT) and molecular dynamics simulations.
Main Results:
- WSe2-x exhibited a high NH3 Faradaic efficiency of 92.7% and a yield of 2.42 mg h-1 cm-2 at -0.8 V.
- Se-vacancy-free WSe2 showed significantly lower catalytic activity.
- Theoretical calculations confirmed that Se-vacancies create unsaturated W sites that activate nitrate and lower reaction barriers.
Conclusions:
- Se-vacancy-rich WSe2-x is a highly efficient catalyst for electrocatalytic nitrate reduction to ammonia.
- The presence of Se-vacancies is critical for enhancing NO3RR activity by creating active sites.
- This work provides insights into catalyst design for improved electrosynthesis of ammonia.
Keywords:
Density functional theoryMolecular dynamics simulationsNitrate electroreductionVacancy engineeringMore Related Videos
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