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Related papers: Tailoring Charge-Transfer at Metal-Organic Interfa…

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Engineering the electronic structure of organics through interface manipulation, particularly the interface dipole and the barriers to charge carrier injection, is of essential importance to improved organic devices. This requires the…

The properties of Shockley-type interface states between $\pi$-conjugated organic molecular layers and metal surfaces are investigated by time-resolved two-photon photoemission experiments and density functional theory. For perylene- and…

Other Condensed Matter · Physics 2015-05-28 M. Marks , N. L. Zaitsev , B. Schmidt , C. H. Schwalb , A. Schöll , I. A. Nechaev , P. M. Echenique , E. V. Chulkov , U. Höfer

Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for their peculiar electronic structure and optical response.…

Materials Science · Physics 2020-04-15 Matheus Jacobs , Jannis Krumland , Ana M. Valencia , Haiyuan Wang , Mariana Rossi , Caterina Cocchi

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…

Mesoscale and Nanoscale Physics · Physics 2017-03-07 Zhenfei Liu , David A. Egger , Sivan Refaely-Abramson , Leeor Kronik , Jeffrey B. Neaton

Metal/semiconductor interfaces govern the operation of semiconductor devices through the formation of charge injection barriers that can be controlled by tuning the metal work function. However, the controlling ability is typically limited…

Materials Science · Physics 2014-01-14 Ryo Nouchi , Masanori Shigeno , Nao Yamada , Tomoaki Nishino , Katsumi Tanigaki , Masahiko Yamaguchi

We investigate the charge-transfer interfaces between metal and redox arylamine molecular films through studying the current-voltage characteristics of single-layer organic diodes with the aid of anode interfacial engineering method. The…

Materials Science · Physics 2007-05-23 J. C. Li , S. C. Blackstock , G. J. Szulczewski

Organic semiconductors offer an unprecedented flexibility to control the electronic state of interfacial electronic systems. Here we present a first step in realizing organic charge transfer interfaces that combine both a large electrical…

Materials Science · Physics 2016-03-01 Yulia Krupskaya , Florian Rückerl , Martin Knupfer , Alberto F. Morpurgo

Organic/inorganic donor-acceptor interfaces are gaining growing attention in organic photovoltaic applications as each component of the interface offers unique attributes. Here we use hybrid-density functional theory to examine the…

Materials Science · Physics 2011-03-29 Na Sai , Kevin Leung , James R. Chelikowsky

Organic dopants are frequently used to surface-dope inorganic semiconductors. The resulted hybrid inorganic-organic materials have a crucial role in advanced functional materials and semiconductor devices. In this article, we study charge…

Materials Science · Physics 2017-08-01 Xiaoming Wang , Keivan Esfarjani , Mona Zebarjadi

The performance of an organic-semiconductor device is critically determined by the geometric alignment, orientation, and ordering of the organic molecules. While an organic multilayer eventually adopts the crystal structure of the organic…

Using interlayer interaction to control functional heterostructures with atomic-scale designs has become one of the most effective interface-engineering strategies nowadays. Here, we demonstrate the effect of a crystalline LaFeO3 buffer…

The morphology of interfaces is known to play fundamental role on the efficiency of energy-related applications, such light harvesting or ion intercalation. Altering the morphology on demand, however, is a very difficult task. Here, we show…

Chemical Physics · Physics 2020-05-20 Dimitrios Fraggedakis , Martin Z. Bazant

Hybrid materials are crucial in photovoltaics where the overall efficiency of the heterostructure is closely related to the level of charge transfer at the interface. Here, using various metal / poly(3-hexylthiophene)(P3HT) heterostructure…

Materials Science · Physics 2019-08-20 V. Ongun Özçelik , Yingmin Li , Wei Xiong , Francesco Paesani

The interfacial structure plays a critical role in modern optoelectronics. Currently multilayer electrodes are used to optimize the injection and lifetime properties. The choice of interlayer is not universal, with different effects for the…

Materials Science · Physics 2012-08-02 Ayse Turak , Dan Grozea , Chanjun Huang , Zheng-Hong Lu

Organic semiconductors are a promising class of materials for numerous electronic and optoelectronic applications, including solar cells. However, these materials tend to be extremely sensitive to the local environment and surrounding…

Mesoscale and Nanoscale Physics · Physics 2023-03-29 Katherine A. Cochrane , Tanya S. Roussy , Bingkai Yuan , Gary Tom , Erik Mårsell , Sarah A. Burke

Three driving forces control the energy level alignment between transition-metal oxides and organic materials: the chemical interaction between the two materials, the organic electronegativity and the possible space charge layer formed in…

Thin molecular films under model conditions are often exploited as benchmarks and case studies to investigate the electronic and structural changes occurring on the surface of metallic electrodes. Here we show that the modification of a…

The design of low-dimensional organic-inorganic interfaces for the next generation of opto-electronic applications requires an in-depth understanding of the microscopic mechanisms ruling electronic interactions in these systems. In this…

Understanding energy level alignment at organic interfaces is crucial for optimizing the performance of organic devices. Interface dipole and band bending significantly influence carrier recombination and generation mechanisms. A method of…

Materials Science · Physics 2025-12-09 Masahiro Ohara , Taiyo Inoue , Yuya Tanaka , Hisao Ishii

The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…

Materials Science · Physics 2012-07-17 Juan I. Beltrán , Fernando Flores , José I. Martínez , José Ortega
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