Hybrid Materials: Electronic and Optical Excitations at the Pyridine/ZnO(10   1  ¯   0) Hybrid Interface (Adv. Theory Simul. 2/2019) | Zendy

Turkina Olga | Zendy; Nabok Dmitrii | Zendy; Gulans Andris | Zendy; Cocchi Caterina | Zendy; Draxl Claudia | Zendy

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Hybrid Materials: Electronic and Optical Excitations at the Pyridine/ZnO(10 1 ¯ 0) Hybrid Interface (Adv. Theory Simul. 2/2019)

Author(s) -

Turkina Olga,

Nabok Dmitrii,

Gulans Andris,

Cocchi Caterina,

Draxl Claudia

Publication year - 2019

Publication title -

advanced theory and simulations

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.068

H-Index - 17

ISSN - 2513-0390

DOI - 10.1002/adts.201970004

Subject(s) - exciton , hybrid material , hybrid system , pyridine , materials science , interface (matter) , charge (physics) , function (biology) , optoelectronics , computer science , nanotechnology , physics , chemistry , condensed matter physics , molecule , quantum mechanics , machine learning , organic chemistry , gibbs isotherm , evolutionary biology , biology

Hybrid systems, combining inorganic and organic components, present an ex‐citing pathway towards tailoring materials with specific desired properties. By a first‐principles approach based on many‐body Green function techniques, in article number 1800108 , Olga Turkina, Claudia Draxl, and co‐workers explore the opto‐electronic spectra of pyridine/ZnO(1010). In this prototypical hybrid system, various kinds of novel exciton types are formed. The image shows the hole probability distribution of a hybrid charge‐transfer exciton.

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