Adsorption and sensing behaviors of SF6 decomposed species on pristine and Ru/Ti-modified stanene monolayer: A first-principles study

Transition Metal (Co, V, W, Zr) Single-Atom Decorated Biphenylene for Enhancing the Sensing Performance of SF6 Decomposition Molecules

“…43−46 In the case of Ru/Ti-modified stanene monolayer, for example, small molecules are adsorbed due to Ru/Ti activation of their surfaces, resulting in large adsorption energies compared to the original primary structure. 47 The Pt-doped HfSe 2 monolayer adsorbs SO 2 and SOF 2 with more charge transfer with chemisorption. 48 InN monolayer modified by Cu significantly enhanced their surface interactions with molecules such as SO 2 , SOF 2 , and SO 2 F 2 .…”

“…However, it is partially decomposed by high-voltage arcs, causing its decomposition products to be highly corrosive and toxic with electrical equipment severely affected. − Therefore, the addition of more active centers allows the BPN to act as a sensor to detect these gases to ensure proper operation of the device. Since the transition metal atom (TMA) has unfilled d valence orbitals with relatively active valence electrons, it is easy to electronically hybridize with gas molecules, while the properties can be improved with less doping or adsorption. − In the case of Ru/Ti-modified stanene monolayer, for example, small molecules are adsorbed due to Ru/Ti activation of their surfaces, resulting in large adsorption energies compared to the original primary structure . The Pt-doped HfSe 2 monolayer adsorbs SO 2 and SOF 2 with more charge transfer with chemisorption .…”