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Effective sensing mechanisms of O2 and CO on SnO2 (110) surface: a DFT study Abstract: The dissociative adsorption of O2 on SnO2 is pivotal for its gas-sensing performance, yet the underlying mechanisms remain open to [...] -
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DFT approaches unraveling the surface and morphological properties of MnMoO4 Abstract: The MnMoO4 is an environment-friendly semiconductor material with exciting properties and low cost to obtain highly employed supercapacitors. In this work, the α-MnMoO4 phase was investigated [...] -
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