Theory of covalent adsorbate frontier orbital energies on functionalized light-absorbing semiconductor surfaces

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Subjectdensity functional theory; energy level alignment; many-body perturbation theory; organic−semiconductor interface; surface polarization; thiophene-functionalized silicon (111)
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PublisherAmerican Chemical Society
Peer reviewedYes
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NPARC number23003159
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Record identifier9e137be5-d524-43b9-9a46-a653d6d64004
Record created2018-05-03
Record modified2020-05-30
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