2020
DOI: 10.1016/j.susc.2020.121688
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Gas adsorption effects on electronic and magnetic properties of triangular graphene antidot lattices

Abstract: The adsorption effects of small molecules (H2O, CO, NH3, NO2) and large molecules (Tetracyanoquinodimethane (TCNQ) and Tetrafluoro-tetracyanoquinodimethane (F4TCNQ)) on electronic and magnetic properties of two triangular graphene antidot lattices (GALs), [10, 3, 6]RT A and [10, 5]ET A, are investigated by means of first-principles calculations. We find that CO, NO2, TCNQ, and F4TCNQ molecules are chemisorbed by both antidots, whereas NH3 is physisorbed (chemisorbed) by [10, 5]ET A ([10, 3, 6]RT A) structure. … Show more

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