Journal
APPLIED CATALYSIS B-ENVIRONMENTAL
Volume 304, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.apcatb.2021.120989
Keywords
Pt single atom; Hydrogen evolution reaction; Active sites; V2CTx MXene
Funding
- Development of smart chemical materials for IoT device Project through the Korea Research Institute of Chemical Technology (KRICT) of Republic of Korea [SS2121-10]
- Nano/Material Technology Development Program through the National Research Foundation of Korea (NRF)
- Ministry of Education, Science and Technology [KSC-2021-CRE-0144]
- National Supercomputing Center [KSC-2021-CRE-0144]
- National Research Foundation of Korea (NRF)
- Korea government (MSIP) [KSC-2021-CRE-0144]
- [NRF-2017M3D9A1073502]
- [NRF-2018M1A2A2061998]
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To enhance the catalytic activity of HER, this study introduces a method of atomic level electronic modulation and successfully achieves Pt substitution on V2CTx MXene, resulting in high HER performance. This work opens up new possibilities for developing efficient electrocatalysts.
To construct an efficient electrocatalyst for HER, the high binding energy of MXene must be mitigated through electronic modulation of active sites. Here, we propose atomic Pt substitution in V2CTx MXene to modulate the electronic structure and promote catalytic activity toward HER. Pt-V2CTx exhibits high HER performance with a low overpotential of 27 mV at -10 mA cm(-2) in acidic media, comparable to the commercial Pt/C catalyst. X-ray absorption spectroscopy and DFT calculations indicate that the Pt atoms are efficiently confined to the V vacancy sites of V2CTx , accompanied by a unique electronic structure. The atomic substitution of Pt with higher occupied d states at the Fermi energy of Pt and surface oxygen sites can significantly indicate an optimum hydrogen binding free energy (Delta G(H)*), promoting HER performance. This work introduces further prospects for developing efficient electrocatalysts by feasible electronic regulation and highly improved catalytic activity through rational atomic engineering.
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