Oxygen adsorption properties of small cobalt oxide clusters: application feasibility as oxygen gas sensors

Abstract

<p>Density functional theory calculations show chemical exothermic oxygen adsorption on cobalt oxide clusters with charge transfer from the clusters to oxygen.</p>

Photocurrent conversion capability of a 2D WS2-polyvinyl alcohol matrix and its DFT-based charge carrier dynamics analysis

“…As the electronic chemical potential rises, the molecule becomes less stable or more reactive. 72 The highest chemical potential of À6.86 eV is detected for WS 2 , whereas it is observed to be À2.79 eV and À5.20 eV for PVOH and WS 2 PVOH, respectively. This indicates that the WS 2 PVOH system is more stable than the WS 2 system.…”

A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates

“…Recently, molecular-level mechanisms for oxidation reactions have been suggested to be accurately modeled and understood through the study of gas phase cluster reactions. [34][35][36][37][38][39][40][41][42][43][44][45] Thus, in the present theoretical study, we set out to investigate the benzene oxidation in the presence of manganese oxide clusters that are considered simple models for oxide surfaces. We first focus on the interaction of benzene (C 6 H 6 ) with the Mn x O y oxide clusters.…”

Single atom modified two-dimensional bismuthenes for toxic gas detection

“…9 Lee et al reported a flexible graphene sensor with good NO 2 detection ability, this n-doped graphene sensor exhibits excellent response, recovery and long-term sensing stability. 10 Other 2D structures such as metal oxides, [11][12][13] metal dichalcogenides, 14,15 boron nitride (BN) [16][17][18] and MXenes 19,20 have also been successfully applied in the preparation of gas sensing devices. Furthermore, the 2D materials make an outstanding contribution to the reduction of the operating temperature of gas sensors, which is the weakness of the sensors prepared based on semiconducting metal oxides.…”