Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers

Article

关键词: PHOTOISOMERIZATION;    ALKANETHIOLS;    EXCITATIONS;    DISULFIDE;    BEHAVIOR;    OXYGEN;    LAYERS;   

DOI  :  10.1103/PhysRevB.92.205105

来源: SCIE

【 摘 要 】

We study x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers (SAMs), investigating excitations from the nitrogen K edge. Azobenzene with H-termination and functionalized with CF3 groups is considered. The Bethe-Salpeter equation is employed to compute the spectra, including excitonic effects, and to determine the character of the near-edge resonances. Our results indicate that core-edge excitations are intense and strongly bound: their binding energies range from about 6 to 4 eV, going from isolated molecules to densely-packed SAMs. Electron-hole correlation rules these excitations, while the exchange interaction plays a negligible role.

【 授权许可】

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