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Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies

Abstract : First-principles based on density functional theory (DFT) calculations were performed to investigate the interaction of two-dimensional (2D) HfS 2 with SO 2 , a harmful gas with implications for climate change.
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https://hal.univ-lorraine.fr/hal-03603740
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Thursday, March 10, 2022 - 9:50:26 AM
Last modification on : Friday, April 1, 2022 - 3:55:05 AM

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Amina Bouheddadj, Tarik Ouahrani, Wilfried Kanhounnon, Boufatah Reda, Sumeya Bedrane, et al.. Low-dimensional HfS 2 as SO 2 adsorbent and gas sensor: effect of water and sulfur vacancies. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (41), pp.23655-23666. ⟨10.1039/D1CP04069C⟩. ⟨hal-03603740⟩

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