2022
DOI: 10.1016/j.snb.2021.130890
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Layered amorphous a-SnO2 gas sensors by controlled oxidation of 2D-SnSe2

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Cited by 14 publications
(23 citation statements)
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“…E ads is in eV, and the Bader charge is in elementary charge units. E ads are values obtained by combining AIMD+DFT approaches for E surf_H2S and (in brackets) values obtained still by combining AIMD+DFT approaches for the calculation of both E surf_H2S and E surf terms in eq S1 in Supporting Information, Section S4 , which is the same for C2 , i.e., the most stable anchoring mechanism of H 2 O as described in ref ( 28 ). A Bader charge of >0 indicates charge transfer from the adsorbed species to the a -SnO 2 surface.…”
Section: Resultsmentioning
confidence: 99%
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“…E ads is in eV, and the Bader charge is in elementary charge units. E ads are values obtained by combining AIMD+DFT approaches for E surf_H2S and (in brackets) values obtained still by combining AIMD+DFT approaches for the calculation of both E surf_H2S and E surf terms in eq S1 in Supporting Information, Section S4 , which is the same for C2 , i.e., the most stable anchoring mechanism of H 2 O as described in ref ( 28 ). A Bader charge of >0 indicates charge transfer from the adsorbed species to the a -SnO 2 surface.…”
Section: Resultsmentioning
confidence: 99%
“…In the same fashion, as shown in the right-hand side of Figure 8 b following a heterolytic rupture of OH bonds in H 2 O, 28 water vapor chemisorbs over the a -SnO 2 surface with the formation of a rooted hydroxyl, two-fold coordinated with surface Sn atoms indicated as (OH) 2Sn , and one rooted hydroxyl group (OH) O . Corresponding energetics and Bader charges are shown in the last line of Table 3 , referring to the most stable H 2 O attack (specifically C2 in ref ( 28 )).…”
Section: Resultsmentioning
confidence: 99%
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