2024
DOI: 10.1016/j.ijhydene.2023.08.245
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H2 generation from H2S decomposition on Al

Pengqi Hai,
Chao Wu,
Xiangdong Ding
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Cited by 4 publications
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“…The ability of aluminum (Al) to aid in the dehydrogenation of H 2 S for the formation of H 2 gas has been demonstrated by Hai et al using calculations based on density functional theory (DFT). 144 On all three low-index Al surfaces, two dehydrogenation stages are necessary for the breakdown of H 2 S molecules. For the first step, the rank of the energy barriers is Al(110) < Al(111) < Al(100), while for the second step, it changes to Al(100) < Al(111) < Al (110).…”
Section: Fundamentals Of Photocatalysismentioning
confidence: 99%
“…The ability of aluminum (Al) to aid in the dehydrogenation of H 2 S for the formation of H 2 gas has been demonstrated by Hai et al using calculations based on density functional theory (DFT). 144 On all three low-index Al surfaces, two dehydrogenation stages are necessary for the breakdown of H 2 S molecules. For the first step, the rank of the energy barriers is Al(110) < Al(111) < Al(100), while for the second step, it changes to Al(100) < Al(111) < Al (110).…”
Section: Fundamentals Of Photocatalysismentioning
confidence: 99%