Osman Barış Malcıoğlu

E-mail

mbaris@metu.edu.tr

Department

Department of Physics

ORCID

0000-0003-4018-8557

Scopus Author ID

6507506002

Web of Science Researcher ID

AAA-2320-2020

Self-metalation of a free-base porphyrin on a metal oxide surface mediated by extended defects: Insight from ab initio molecular dynamics simulations Malcıoğlu, Osman Barış; Bockstedte, Michel (2022-09-01) An important pathway for functionalization of porphyrin-based organic-inorganic structures is the metalation of porphyrins. Recently, the porphyrin metalation was demonstrated on different metal oxide surfaces, however, th...
Self-metallation of a free-base porphyrin on a metal oxide surface mediated by extended defects: insight from emph{ab initio} molecular dynamics simulations Malcıoğlu, Osman Barış (2021-12-01)
Nanoassemblies of Porphyrin Derivatives Malcıoğlu, Osman Barış (World Scientific Publishing, 2021-10-01)
Morphology dependent interaction between Co(II)-tetraphenylporphyrin and the MgO(100) surface Ninova, Silviya; Malcıoğlu, Osman Barış; Auburger, Philipp; Franke, Matthias; Lytken, Ole; Steinrueck, Hans-Peter; Bockstedte, Michel (2021-01-01) Porphyrins are key elements in organic-inorganic hybrid systems for a wide range of applications. Understanding their interaction with the substrate gives a handle on structural and electronic device properties. Here we in...
Effect of crystallization on the electronic and optical properties of archetypical porphyrins Malcıoğlu, Osman Barış; Bockstedte, Michel (Royal Society of Chemistry (RSC), 2020-02-21) Thin porphyrin films as employed in modern optical devices or photovoltaic applications show deviating electronic and optical properties from the gasphase species. Any understanding of the physical origin may pave way to a...
Charge state corrections in 2d materials using finite elements Malcıoğlu, Osman Barış (2019-11-03) Point defects in 2D materials, among other novel prospects, show promise as polarized and ultra-bright single-photon emitters at room temperature, with similar or better properties than nitrogen-vacancy center (NV) in diam...
Electronic structure of tetraphenylporphyrin layers on Ag(100) Classen, Andrej; Poeschel, Rebecca; Di Filippo, Gianluca; Fauster, Thomas; Malcıoğlu, Osman Barış; Bockstedte, Michel (2017-03-10) The electronic structure of Mg and free-base tetraphenylporphyrin films on Ag(100) is investigated by one-and two-photon photoemission in combination with electronic structure calculations using density functional theory a...
From White to Red: Electric-Field Dependent Chromaticity of Light-Emitting Electrochemical Cells based on Archetypal Porphyrins Weber, Michael D.; Wittmann, Judith E.; Burger, Alexandra; Malcıoğlu, Osman Barış; Segarra-Marti, Javier; Hirsch, Andreas; Coto, Pedro B.; Bockstedte, Michel; Costa, Ruben D. (2016-10-04) The differences in the electroluminescence (EL) of red-emitting free-base (H2TPP) and Zn-metalated (ZnTPP) archetypal porphyrins are rationalized in light-emitting electrochemical cells by means of an electric-field depend...
Structural and thermal properties of Cd-Zn-Te ternary nanoparticles: Molecular-dynamics simulations Kurban, Mustafa; Malcıoğlu, Osman Barış; ERKOÇ, ŞAKİR (2016-01-13) A molecular dynamics simulations using a recently developed CdZnTe bond order potential is carried out to study structural and thermodynamical properties of the CdZnTe spherical-like ternary nanoparticles with 167-357 atom...
Dynamic Effect of Solvation on the Optical Properties of a CdTe Nanocrystal Malcıoğlu, Osman Barış (2013-03-01) Changes in the optical response of a CdTe quantum dot (QD) due to dynamic and surface effects are investigated using ab initio methods. The model successfully captures experimentally reported non-linear trends in the optic...

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