Abstract
The tunable electronic structures and hydrogen evolution reaction ability of single-layered TiO2 nanoribbons were investigated with 3d transition-metal doping and uniaxial strain. Surprisingly, both surface and inner oxygen atoms in nanoribbon can be effectively activated by Cr doping for hydrogen production. Its hydrogen adsorption free energy was reduced to 0.1 eV, much close to that of Pt metal. The binding capacity of inner oxygen with adsorbed hydrogen was related to its py+z band center level. Moreover, the dependence of amendatory hydrogen adsorption ability on the band center level was also proposed to understand the mechanism of strain engineering. These insights provide a potential approach for achieving high hydrogen production activity in oxide nanomaterials.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.