Investigation of hydrogen storage behavior of silicon nanoparticles

Porous Silicon (PS) freestanding film is a derivative of single crystal Si wafer. PS films obtained on electrochemical etching of p-type silicon (Si) wafer were used to synthesize Si nanoparticles by ultrasonication. 12 μm thick and 29% porous freestanding PS films were sonicated for 4 h in 120 W ultrasonication bath at 42 kHz. HRTEM image shows Si nanoparticles in the range of 8–20 nm in size. In this paper we present results of hydrogen absorption experiments conducted on Si nanoparticles. Standard Seivert’s type apparatus was used to carry out hydrogen absorption pressure composition isotherm measurements in the pressure range of 1–10 bar and in the temperature range of 29 °C–150 °C. Theoretically SiHx system has 3.44, 6.66 and 9.67 wt% of hydrogen for x = 1, 2, 3 respectively. Experimental results show maximum hydrogen uptake of 2.25 wt% at the temperature of 120 °C and at 9.76 bar pressure. Hydrogenation of Si nanoparticles exhibits frequency downshifts from 510.7 to 507.3 cm−1 in Raman spectra. Raman peaks were de-convoluted in two bands to study effect of hydrogenation on FWHM, crystallanity and elastic strain of the nanoparticles. Bonding between Si, O and H atoms were investigated using Fourier transform infrared spectroscopy(FTIR) spectroscopy. UV–Vis spectra and Tauc plots were used to discuss the relation between hydrogenation and optical band gap of the Si nanoparticles. Optical band gap was found to increase from 1.6 to 2.25 eV on subjecting Si nanoparticles to hydrogenation.

► Si nanoparticles were synthesized on sonicating freestanding porous Silicon films. ► Hydrogen absorption PC isotherms show maximum uptake of 2.25% at 120 °C and 9.76 bar. ► Hydrogenation of Si nanoparticles exhibit frequency downshift and increasing FWHM in Raman peaks. ► Increase in optical band gap implies passivation of defects in hydrogenated Si nanoparticles.