A Combined Experimental and Computational Study of Gas Sensing by Cu3SnS4 Nanoparticulate Film: High Selectivity, Stability, and Reversibility for Room Temperature H2S Sensing

作者：Thripuranthaka M; Sharma Neha; Das Tilak; Varhade Swapnil; Badadhe Satish S; Thotiyl Musthafa Ottakam; Kabir Mukul; Ogale Satishchandra

来源：Advanced Materials Interfaces, 2018, 5(10): 1701492.

DOI：10.1002/admi.201701492

<jats:title>Abstract</jats:title><jats:p>Several binary sulfides are used for sensing of gases such as NH<jats:sub>3</jats:sub>, NO<jats:sub>2</jats:sub>, and H<jats:sub>2</jats:sub>, but not for H<jats:sub>2</jats:sub>S, especially at room temperature, because of the relative inactivity of metal sulfide surface bonds for this gas. The situation can be entirely different in the ternary case, however, due to the possible synergy of interactions involving dual cation surface chemistry. This is borne out by the present work wherein the Cu<jats:sub>3</jats:sub>SnS<jats:sub>4</jats:sub> material, the Cu‐rich ternary sulfide used for the first time in the gas sensing context, not only senses H<jats:sub>2</jats:sub>S at room temperature but also remarkably does so with high selectivity and stability. Thus, a combined experimental and computer modeling study on the use of nanocrystalline orthorhombic Cu<jats:sub>3</jats:sub>SnS<jats:sub>4</jats:sub> phase is reported for H<jats:sub>2</jats:sub>S sensing. The material shows sensitivity for a wide range of H<jats:sub>2</jats:sub>S concentrations (from 10 to 2000 ppm). The performance of the sensing device fabricated on Kapton substrate remains intact even after several days and multiple bending cycles. Importantly, these experimental findings are consistent with the results of density functional theory calculations for binding energies for different gases, namely, H<jats:sub>2</jats:sub>S, NO<jats:sub>2</jats:sub>, NH<jats:sub>3</jats:sub>, and CO, on Cu<jats:sub>3</jats:sub>SnS<jats:sub>4</jats:sub> surface.</jats:p>

• 出版日期2018-5-23