Text Box: Universitatea Babes-Bolyai;Text Box: Universitatea Babes-Bolyai;


2018 Apr. - Dec.

 1) The first-principles theoretical study of electronic properties for transition metal dichalcogenide (TMD) bulk materials
The electronic properties for the proposed TMD materials are studied using the hybrid B1-WC functional.

 2) Evaluation of the degree of anisotropy for the electronic structure of bulk TMDs
The degree of anisotropy of the electronic bands will be estimated by the anisotropic ratio R = mh/ml of the heavy (mh) and light (ml) effective masses of the electronic charge carriers.

 3) Estimation of thermoelectric (TE) properties of the bulk TMDs predicted to possess high TE performance
The transport coefficients will be estimated for the potential high TE performance materials, which possess high anisotropy and degeneration/multiplicity of electronic bands.

 4) The foundation of a statistical model for estimation of thermal transport in TMD nanoflake assemblies
The groundwork is performing for the development of the statistical model.


ISI Articles:


Conference Presentations:

 1) "Thermoelectric properties of TMDs materials: first-principles and statistical modeling"
Oral talk, MELoDICA kick-off Meeting, 4-5-th Jun 2018, Bruxelles.