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Bibliographic record number: 727778

Journal

Authors: Lazić, Predrag; Caciuc, Vasile; Atodiresei, Nicolae; Callsen, Martin; Bluegel, Stefan
Title: First-principles insights into the electronic and magnetic structure of hybrid organic-metal interfaces
( First-principles insights into the electronic and magnetic structure of hybrid organic-metal interfaces )
Source: Journal of physics. Condensed matter (0953-8984) 26 (2014), 26; 263001-1-263001-13
Paper type: article
Keywords: organic molecule; surface; magnetism; spintronics; van der Waals
( organic molecule; surface; magnetism; spintronics; van der Waals )
Abstract:
In this review we summarize our experience gained from several recent ab initio studies aimed to investigate how the competition between short-ranged chemical and long-ranged dispersion interactions determines the bonding mechanism of a specific set of chemically functionalized pi-conjugated organic molecules on non-magnetic and magnetic metal surfaces. A key point of this review is to provide a detailed analysis on the issue of how to tune the strength of the organic molecule-surface interaction, such that the nature of the molecular bonding exhibits the specific electronic features of the physisorption or chemisorption bonding mechanisms. In particular, we discuss in detail how the precise control of these bonding mechanisms can be used to design specific electronic and magnetic properties of hybrid organic-metallic interfaces. Furthermore, our first-principles simulations provide not only the basic insights needed to interpret surface-science experiments, but are also a key tool to design organic-substrate systems with tailored properties that can be integrated into future organic-based devices for molecular electronics and molecular spintronics applications.
Project / theme: 098-0352828-2863
Original language: eng
Citation databases: Current Contents Connect (CCC)
MEDLINE
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Category: Znanstveni
Research fields:
Physics
URL: http://iopscience.iop.org/0953-8984/26/26/263001/
Broj citata:
Altmetric:
DOI: 10.1088/0953-8984/26/26/263001
URL cjelovitog rada:
Google Scholar: First-principles insights into the electronic and magnetic structure of hybrid organic-metal interfaces
Contrib. to CROSBI by: Damir Šokčević (Damir.Sokcevic@irb.hr), 6. Stu. 2014. u 16:04 sati



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