Milan Pejić

• Vinča Institute of Nuclear Sciences

Tantalum carbide (TaC) is an extremely hard, brittle, refractory ceramic material with excellent physical properties, which makes it a desirable material in e.g. aerospace industries. In order to explore the range of feasible modifications of TaC, we have executed a crystal structure prediction study of the TaC chemical system using a multi‐methodo...

Oxynitrides of cerium are expected to have many useful properties but have not been synthesized so far. We identified possible modifications of a not-yet-synthesized Ce3O3N compound, combining global search (GS) and data mining (DM) methods. Employing empirical potentials, structure candidates were obtained via global optimization on the energy lan...

ZnO/ZnS core/shell nanostructures, which are studied for diverse possible applications, ranging from semiconductors, photovoltaics, and light-emitting diodes (LED), to solar cells, infrared detectors, and thermoelectrics, were synthesized and characterized by XRD, HR-(S)TEM, and analytical TEM (EDX and EELS). Moreover, band-gap measurements of the...

Crystal structure prediction has been performed via the global exploration of the energy landscape of lanthanum oxyiodide (LaOI), using simulated annealing and involving over one million local optimizations. Afterwards, the most promising structure candidates among the minima found were subjected to local optimizations on ab initio level. Density f...

Scandium oxychloride (ScOCl) has recently become of interest as an advanced material with possible applications in solid oxide fuel cells, photocatalysis, and electronic devices as are oxyhalides of various transition metals. In the present study, crystal structure prediction has been utilized to fully investigate the energy landscape of ScOCl. A m...

We study quantum features of electromagnetic radiation propagating in a one-dimensional superconducting quantum metamaterial composed of an infinite chain of charge qubits placed within two stripe massive superconducting resonators. The quantum-mechanical model is derived assuming weak fields and that, at low temperatures, each qubit is either unoc...

We report on a new class of ZnO/ZnS nanomaterials based on the wurtzite/sphalerite architecture with improved electronic properties. Semiconducting properties of pristine ZnO and ZnS compounds and mixed ZnO1−xSx nanomaterials have been investigated using ab initio methods. In particular, we present the results of our theoretical investigation on th...

We study quantum features of electromagnetic radiation propagating in a one--dimensional superconducting quantum metamaterial comprised of an infinite chain of charge qubits placed within two--stripe massive superconductive resonators. The Quantum--mechanical model is derived assuming weak fields and that, at low temperatures, each qubit is either...

A number of studies have indicated that the implementation of Si in CrN can significantly improve its performance as a protective coating. As has been shown, the Cr-Si-N coating is comprised of two phases, where nanocrystalline CrN is embedded in a Si3N4 amorphous matrix. However, these earlier experimental studies reported only Cr-Si-N in thin fil...

There is an ongoing interest in organic materials due to their application in various organic electronic devices. However stability of organic materials limits their potential use. They are prone to degradation both during the working life and storage. One of the main causes is extrinsic degradation, under the influence of oxygen and moisture. This...

U ovom radu je prikazana studija mehanizma gašenja fotoluminescencije (PL) tankih amorfnih filmova N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) izloženih UV zračenju u vazduhu. TPD je organski molekul koji se često koristi u izradi organskih svetlećih dioda (OLED). Prilikom izlaganja TPD filmova UV zračenju u vazduhu, dolazi do fotooksi...

The mechanism of photoluminescence (PL) quenching of thin amorphous N,N′-bis(3-methylphenyl)- N,N′-bis(phenyl)benzidine (TPD) films exposed to UV light in air is studied. TPD is small organic molecule widely used in production of organic light emmiting devices (OLEDs). Photoluminescence of TPD films decays exponentially with time of irradiation, i....