Publication date: 8th January 2019
Poor charge injection/extraction at an organic-electrode interface is a crucial issue for organic electronics as this severely limits the device performance. A work-function modification of the electrodes is the most efficient way to overcome this shortcoming. In recent years, experimental studies have revealed that polyethylene glycol(PEG) used as an interlayer between the electrodes and the organic materials improves the performance of devices by reducing the work-function of the cathode [1]. In this computational work, we investigate thiol-terminated polyethylene glycol(PEG(thiol)) adsorbed on the Au(111) surface. In order to consider van der Waals interactions, we employ the DFT-D2 [2] as well as the many-body dispersion (MBD@rsSCS) [3] methods. In both cases, we find that a monolayer of PEG(thiol) molecules reduces the work-function of the metal. This effect is smaller for odd numbers of repeat units of the PEG backbone and larger for even numbers. The screening effects included in MBD@rsSCS, but disregarded in DFT-D2, noticeably impact the adsorption geometry. This, in turn, determines the amount of the work-function change, where the values range from -0.39 eV to -1.11 eV in case of the former method and from -0.24 eV to -0.95 eV in case of the latter one.
nanoGe is a prestigious brand of successful science conferences that are developed along the year in different areas of the world since 2009. Our worldwide conferences cover cutting-edge materials topics like perovskite solar cells, photovoltaics, optoelectronics, solar fuel conversion, surface science, catalysis and two-dimensional materials, among many others.
Previously nanoGe Spring Meeting (NSM) and nanoGe Fall Meeting (NFM), MATSUS is a multiple symposia conference focused on a broad set of topics of advanced materials preparation, their fundamental properties, and their applications, in fields such as renewable energy, photovoltaics, lighting, semiconductor quantum dots, 2-D materials synthesis, charge carriers dynamics, microscopy and spectroscopy semiconductors fundamentals, etc.
International Conference on Hybrid and Organic Photovoltaics
International Conference on Hybrid and Organic Photovoltaics (HOPV) is celebrated yearly in May. The main topics are the development, function and modeling of materials and devices for hybrid and organic solar cells. The field is now dominated by perovskite solar cells but also other hybrid technologies, as organic solar cells, quantum dot solar cells, and dye-sensitized solar cells and their integration into devices for photoelectrochemical solar fuel production.
Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics
The main topics of the Asia-Pacific International Conference on Perovskite, Organic Photovoltaics and Optoelectronics (IPEROP) are discussed every year in Asia-Pacific for gathering the recent advances in the fields of material preparation, modeling and fabrication of perovskite and hybrid and organic materials. Photovoltaic devices are analyzed from fundamental physics and materials properties to a broad set of applications. The conference also covers the developments of perovskite optoelectronics, including light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.
The International Conference on Perovskite Thin Film Photovoltaics Perovskite Photonics and Optoelectronics (NIPHO) is the best place to hear the latest developments in perovskite solar cells as well as on recent advances in the fields of perovskite light-emitting diodes, lasers, optical devices, nanophotonics, nonlinear optical properties, colloidal nanostructures, photophysics and light-matter coupling.