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Molecular chemical physics and sensorics

Molecular chemical physics and sensorics

Doctoral programme, Faculty of Chemical Engineering
CHYBI CHARAKTERISTIKA PROGRAMU

The aim of the doctoral study programme Molecular Chemical Physics and Sensors is to prepare highly qualified specialists in the interdisciplinary fields of molecular chemical physics and sensorics. The main areas of study of this programme are related to knowledge of quantum physics and quantum chemistry, optics, electronics, vacuum physics, spectroscopy, modelling of molecules and molecular processes, and theoretical and experimental methods of studying nanostructures. As part of this study, PhD students will be prepared for independent research work in laboratories as well as for managerial positions at various levels, both in the public institutions and in the private sector. The aim of the doctoral study programme is to deepen and broaden students' knowledge so that they can combine experimental work with computational models and analyze large multivariate datasets with the aim of qualified evaluation of information and formulation of appropriate conclusions.

Careers

Graduates of the doctoral study programme Molecular Chemical Physics and Sensorics will have both deep theoretical knowledge and extensive experimental experience in chemical-physical disciplines (quantum theory, optics, optoelectronics, spectroscopy, computational chemistry and modelling of molecular and supramolecular systems, etc.). Graduates will be prepared for highly creative work in interdisciplinary teams dealing with molecular chemical physics, sensorics, spectroscopy, computational chemistry and nanostructure research, they will be able to communicate with experts in the field of measurement and control technology, physical and analytical chemistry, computer data evaluation or material research. Graduates will have extensive experience in communicating specialised knowledge in the form of written / electronic texts, especially in English, as well as oral and poster presentations.

Programme Details

Language of instruction English
Standard length of study 4 years
Form of study Full time + Combined
Guarantor of study programme prof. Dr. RNDr. Pavel Matějka
Programme Code AD403
Place of study Prague
Capacity 25 students
Number of available PhD theses 4

List of available PhD theses

Ab initio simulations of structural, thermodynamic and transport properties of metalorganic frameworks

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Benchmarking classical and quantum-mechanical molecular simulations for predictions of phase equilibria

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Benchmarking the ab initio methods for polymorph stability ranking for molecular crystals

Department: Department of Physical Chemistry, Faculty of Chemical Engineering
Theses supervisor: Ing. Ctirad Červinka, Ph. D.

Design of high performance flexible supercapacitors based on cellulose nanofibrils and conductive polymers

Department: Department of Computing and Control Engineering, Faculty of Chemical Engineering

Annotation

The present project aims at designing of novel, flexible and lightweight electrodes based on sustainable materials. Electrodes will be then used for development of high performance supercapacitors with tailored structure and high capacitance. Herein, the emerging bio-sourced cellulose nanofibrils (CNF) will be employed as a matrix to prepare supercapacitor electrodes with electrically conducting polymers (ECP) and nanofillers (e.g. carbon nanomaterials). CNF will act as a mechanical skeleton capable of high deformation and as a useful template for tailoring functionalities and preparing porous networks in form of films. New approaches of polymer/nanofiller compatibilization will be investigated to combine together different materials and different properties into free-standing CNF-ECP based electrode films with optimal morphology and properties. The electrodes exhibiting the best capacitances, flexibility and thermal stability will be used in fabrication and testing of supercapacitor devices.


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