Exceptional Hydrogen Uptake in Crystalline InxGa1- xN Semiconductors

ACS Appl Mater Interfaces. 2024 May 29;16(21):27268-27279. doi: 10.1021/acsami.4c01371. Epub 2024 May 17.

Abstract

The irradiation of InN and InxGa1-xN samples with low-energy H ions results in exceptionally high hydrogen uptake in a crystalline semiconductor. This phenomenon is attributed to specific In-H complex formation. By exploiting spectral fingerprints of the In-H complexes observable in In L3-edge X-ray absorption spectroscopy, we provide direct evidence of complex formation. Density functional theory calculations assist in interpreting the X-ray absorption spectra and offer insights into the energetics of complex formation. We quantify the total amount of reversibly incorporated hydrogen in these semiconductors and discuss their strengths and weaknesses as innovative materials for hydrogen storage.

Keywords: X-ray absorption spectroscopy; defect complexes; density functional theory; energy materials; hydrogen storage; semiconductors.