Nové technologie - výzkumné centrum / New Technologies - Research Centre


78 items

Recent Submissions

Pérez, Rosalina , Querejeta, Amaia L. , Corres, María Ángeles , Muñoz, Josemari Maria , Grande, Hans Jürgen , Honnerová, Petra
Thermal behaviour of vitreous ceramic coatings obtained by electrophoretic deposition

In this study, three different vitreous ceramic coatings have been designed to improve radiation heat transfer and thereby increase the thermal efficiency of fired heaters or furnaces working at high temperatures. The vitreous ceramic coatings were produced through Electrophoretic Deposition tech...

Iqbal, Mehroz , Fatheema, Jameela , Noor, Qandeel , Rani, Malika , Mumtaz, Muhammad , Zheng, Renkui , Khan, Saleem Ayaz , Rizwan, Syed Ali
Co-existence of magnetic phases in two-dimensional MXene

This study reports first synthesis of MXene-derived co-existing magnetic phases. New family of twodimensional (2D) materials such as Ti3C2 namely MXene, having transition metal forming hexagonal structure with carbon atoms have attracted tremendous interest now a days. We have reported structural...

Makhdoom, Madiha , Jamil, Muhammad Imran , Azam, Sikander A. , Irfan, Muhammad , Abbas, Zeesham , Gul, Banat , Khan, Saleem Ayaz , Wang, Xiaotian
First-Principles Description of the Different Phases in the Li2NH Compound: Electronic Structure and Optical Properties

A hydrogen storage material can also be used as a potential and effective solid reducing agent in addition to its applications as an important energy carrier. The density function theory has been used to find the structural and optoelectronic properties of the Li2NH compound. ...

Azam, Sikander A. , Khan, Saleem Ayaz , Khenata, Rabah , Naqib, S. H. , Abdiche, Ahmed , Uǧur, Şule , Bouhemadou, Abdelmadjid , Wang, Xiaotian
An ab-initio investigation of the electronic structure, chemical bonding and optical properties of Ba2HgS5 semiconductor

In this manuscript, the electronic structure, bonding nature and optical properties of the ternary Ba2HgS5 compound was investigated using the density functional theory (DFT). The generalised gradient approximation (GGA), Engel and Vosko generalised gradient approximation (EV-GGA) and the modified Bec...

Mahmood, Amjid , Azam, Sikander A. , Irfan, Muhammad , Kamran, Muhammad Arshad , Alharbi, Thamer , Majid, Abdul , Iqbal, Muhammad Waqas , Muhammad, Shabbir , Al-Sehemi, Abdullah Ghodran M. , Khan, Saleem Ayaz , Goumri-Said, Souraya
Cation effect on electronic, optical and thermoelectric properties of perovskite oxynitrides: Density functional theory

Perovskite oxynitride are of great interest due to their use as photo-catalysts. We investigated the electronic,thermoelectric and optical properties of ATaO2N (A= Ba, Sr, Ra) with generalized gradient plus Hubbard approximation (GGA+U). In electronic properties, we have computed, for each compou...