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Table 1 Adsorption parameters of Rh-MoTe2 monolayer upon SO2, SOF2, and SO2F2

From: Rh-doped MoTe2 Monolayer as a Promising Candidate for Sensing and Scavenging SF6 Decomposed Species: a DFT Study

Systems

Ead (eV)

QT (e)

D (Å)

SO2 system

− 1.65

− 0.333

Rh-O (2.16); Rh-S (2.36)

SOF2 system

− 0.46

0.040

Rh-O (2.25)

SO2F2 system

− 2.12

− 0.753

Rh-F (2.02); Rh-S (2.26)

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