Kinetic Model for H2S Adsorption on NiO Surface in Resistive MEMS Gas Sensors: Coupling Mass Transfer, Multisite Adsorption, and Surface Interactions
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2026
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| _version_ | 1866901079573135360 |
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| author | Kondrateva, Anastasia Mishin, Maxim Goltaev, Igor |
| author_facet | Kondrateva, Anastasia Mishin, Maxim Goltaev, Igor |
| contents | <p>Heterogeneous processes at gas--solid interfaces in resistive gas sensors involve external diffusion, multisite adsorption, surface migration and desorption, often complicated by site heterogeneity and lateral interactions. In this work, we develop a non-equilibrium kinetic framework that explicitly couples external mass transfer to multisite Langmuir--Hinshelwood adsorption–desorption with lateral adsorbate interactions and surface diffusion. The model is constructed to factorise material-specific (NiO site types and morphology), analyte-specific (molecular versus dissociative H2S adsorption and concentration-dependent desorption) and transport-specific (MEMS-based gas delivery and mass-transfer limitations) contributions, which enables transfer of kinetic parameters across different sensing layers, morphologies and analytes. Validation on a MEMS-based NiO sensor for H2S demonstrates that only a model including dissociative adsorption, chemisorption with long-lived sulfur-containing species and concentration-dependent desorption can reproduce the experimentally observed multistage transients and apparent relaxation times. By linking surface coverage dynamics directly to conductivity via a morphology-dependent power-law relation, the framework bridges microscopic surface chemistry and macroscopic sensor signal, providing a physically grounded alternative to phenomenological relaxation models and a tool for generating synthetic training data for electronic-nose applications.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_1039_D5CP04688B |
| institution | Zenodo |
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| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Kinetic Model for H2S Adsorption on NiO Surface in Resistive MEMS Gas Sensors: Coupling Mass Transfer, Multisite Adsorption, and Surface Interactions Kondrateva, Anastasia Mishin, Maxim Goltaev, Igor <p>Heterogeneous processes at gas--solid interfaces in resistive gas sensors involve external diffusion, multisite adsorption, surface migration and desorption, often complicated by site heterogeneity and lateral interactions. In this work, we develop a non-equilibrium kinetic framework that explicitly couples external mass transfer to multisite Langmuir--Hinshelwood adsorption–desorption with lateral adsorbate interactions and surface diffusion. The model is constructed to factorise material-specific (NiO site types and morphology), analyte-specific (molecular versus dissociative H2S adsorption and concentration-dependent desorption) and transport-specific (MEMS-based gas delivery and mass-transfer limitations) contributions, which enables transfer of kinetic parameters across different sensing layers, morphologies and analytes. Validation on a MEMS-based NiO sensor for H2S demonstrates that only a model including dissociative adsorption, chemisorption with long-lived sulfur-containing species and concentration-dependent desorption can reproduce the experimentally observed multistage transients and apparent relaxation times. By linking surface coverage dynamics directly to conductivity via a morphology-dependent power-law relation, the framework bridges microscopic surface chemistry and macroscopic sensor signal, providing a physically grounded alternative to phenomenological relaxation models and a tool for generating synthetic training data for electronic-nose applications.</p> |
| title | Kinetic Model for H2S Adsorption on NiO Surface in Resistive MEMS Gas Sensors: Coupling Mass Transfer, Multisite Adsorption, and Surface Interactions |
| url | https://doi.org/10.1039/D5CP04688B |