Hybrid Materials: Electronic and Optical Excitations at the Pyridine/ZnO(101¯0) Hybrid Interface (Adv. Theory Simul. 2/2019). Issue 2 (4th February 2019)

• Record Type: Journal Article
• Authors: Turkina, Olga; Nabok, Dmitrii; Gulans, Andris; Cocchi, Caterina; Draxl, Claudia
• Is Part Of: Advanced theory and simulations. Volume 2:Issue 2(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2019-02-04
• Subjects: Science -- Simulation methods -- Periodicals; Science -- Methodology -- Periodicals; Engineering -- Simulation methods -- Periodicals; Engineering -- Methodology -- Periodicals; 507.21
• DOI: 10.1002/adts.201970004
• Languages: English
• ISSNs: 2513-0390

Abstract

Abstract : 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 number1800108, 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.